data_2kwi_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kwi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -84.79 2.54 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -124.93 124.45 42.07 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.219 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -123.86 138.73 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.661 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.664 ' HD3' ' HB3' ' A' ' 65' ' ' ASP . 62.3 mmtt -118.11 116.31 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' HB ' HD12 ' A' ' 66' ' ' ILE . 97.7 t -129.68 121.93 53.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 0.0 111.208 -176.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 89' ' ' PHE . 57.5 mt -105.14 131.75 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.09 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.538 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 44.3 ttm -111.06 118.65 36.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.891 0.376 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.08 162.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.32 -165.76 20.99 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 21.3 t -92.97 4.95 53.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.653 0.74 . . . . 0.0 109.762 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.68 -64.94 0.49 Allowed Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.93 -91.17 1.77 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.1 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 92' ' ' VAL . 96.8 t 71.23 -51.75 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.415 0.686 . . . . 0.0 111.448 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.03 24.38 0.32 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.55 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.5 pttp -81.25 12.15 3.76 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -106.8 -33.34 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.18 69.14 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.99 -39.81 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.159 0.504 . . . . 0.0 110.707 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -49.88 66.97 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.256 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.762 HD22 HG22 ' A' ' 40' ' ' VAL . 10.8 mp -62.52 -35.06 78.2 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 121.288 -0.165 . . . . 0.0 111.204 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.77 -48.93 79.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.597 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -71.17 -14.43 62.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.521 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.56 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 72.0 mtm -106.49 -47.5 3.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.07 -13.18 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.32 23.16 13.66 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.881 0.372 . . . . 0.0 110.646 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -116.0 145.03 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.661 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -84.69 143.19 29.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.672 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.762 HG22 HD22 ' A' ' 32' ' ' LEU . 45.8 t -68.1 100.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.859 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.96 -59.96 2.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.202 0.525 . . . . 0.0 109.596 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -154.15 102.69 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.284 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.8 93.4 2.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 41.7 tt0 -75.26 -64.0 0.64 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.417 -172.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 38.9 Cg_exo -27.67 -104.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.963 3.775 . . . . 0.0 115.699 -167.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.469 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 51.3 p 43.6 37.01 1.34 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.114 0.566 . . . . 0.0 112.318 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -84.63 -55.08 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' HE1' ' B' ' 413' ' ' HIS . . . -125.44 -9.99 6.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.812 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.93 119.03 15.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.8 m -153.3 156.2 37.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.879 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -124.03 162.96 22.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' B' ' 434' ' ' ARG . 33.7 mtm180 -104.62 144.49 31.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.202 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 55.6 tptt -106.28 128.83 54.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.939 0.399 . . . . 0.0 111.108 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.26 115.92 26.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.829 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.503 HG12 ' HG3' ' A' ' 53' ' ' LYS . 14.8 m -126.85 146.2 33.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.29 114.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.335 0.588 . . . . 0.0 110.035 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mp -102.76 100.77 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.551 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 62.99 16.91 9.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.834 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.28 -30.78 2.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 119.62 -1.276 . . . . 0.0 114.136 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.85 129.07 43.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.813 0.807 . . . . 0.0 110.424 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.66 109.53 14.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -106.45 142.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.518 -171.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -113.58 123.71 50.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.293 0.568 . . . . 0.0 111.108 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.625 HD11 ' HE2' ' A' ' 173' ' ' MET . 19.0 tt -108.57 121.21 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.575 0.702 . . . . 0.0 110.009 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.664 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 46.4 t0 -95.66 110.75 22.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.472 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HB ' ' A' ' 17' ' ' VAL . 27.7 mm -110.21 142.74 21.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -131.16 117.73 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.491 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 38.4 t0 -91.3 91.33 8.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.2 p -88.18 144.4 26.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.814 -169.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -69.4 130.62 43.05 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.999 171.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.24 97.64 0.22 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' HG ' ' N ' ' A' ' 73' ' ' GLU . 2.4 pt? -142.14 -58.26 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 9.5 tp10 176.08 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.895 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.11 -72.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.743 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.404 ' HB3' HD13 ' A' ' 78' ' ' ILE . 95.6 m-85 -80.26 53.42 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.668 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -18.96 65.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.399 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.72 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -71.58 -10.33 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.479 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 50.6 mt -101.11 -34.37 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.835 0.35 . . . . 0.0 110.07 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 51.4 ttp180 -86.89 -65.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.494 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 4.2 m-20 -74.54 -46.67 37.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 -171.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.72 HD21 ' HA ' ' A' ' 77' ' ' ALA . 91.0 m-20 -70.01 -15.96 63.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.884 -174.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 15.2 m-85 -93.32 -9.61 38.28 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.494 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 5.1 m-30 -63.14 -22.93 67.19 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.541 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -58.91 -54.62 45.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 111.793 -174.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 2.3 m -91.37 37.97 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.923 0.392 . . . . 0.0 111.936 -169.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.37 122.09 4.29 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.53 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.543 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 32.7 mm-40 -65.22 -74.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.757 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.14 155.87 18.6 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.634 -173.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 18' ' ' ILE . 92.6 m-85 -130.03 135.85 48.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.969 0.414 . . . . 0.0 111.092 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 124' ' ' LEU . 96.2 mt -106.99 112.89 26.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.929 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 HG23 ' A' ' 125' ' ' VAL . 48.9 mt -89.47 106.42 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.573 HG21 ' HB ' ' A' ' 126' ' ' VAL . 44.7 t -110.54 117.3 54.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -173.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -138.33 172.9 12.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.34 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.593 ' HG ' ' HB2' ' A' ' 129' ' ' LYS . 8.1 t -121.22 146.52 46.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.46 5.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.838 HG22 HD23 ' A' ' 132' ' ' LEU . 6.3 p -89.49 -17.64 28.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.0 109.742 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.404 ' HB2' ' OG ' ' A' ' 100' ' ' SER . 45.0 mt-10 -110.32 106.7 16.17 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.059 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.88 -23.9 59.65 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.66 -48.27 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.839 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.482 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 13.4 p -70.58 -24.33 62.75 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.433 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.51 -48.84 75.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 m -65.4 -32.36 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.633 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.29 62.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.56 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.6 p -58.3 -39.43 79.31 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.048 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.79 81.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.544 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.71 -46.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.807 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.01 -44.38 91.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.228 0.537 . . . . 0.0 110.033 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.471 ' O ' HD22 ' A' ' 112' ' ' LEU . 61.8 ttt180 -55.91 -51.25 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.702 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 37.7 mt-10 -69.26 -32.2 71.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.837 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.219 0.533 . . . . 0.0 110.076 174.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.91 -41.35 81.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.78 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 108' ' ' ARG . 3.8 mm? -61.96 -33.08 73.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 55.5 mtp180 -70.27 -21.97 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.482 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 115' ' ' LYS . 34.6 m -110.21 -17.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.445 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.534 ' HD2' ' OE1' ' A' ' 118' ' ' GLU . 15.5 mtmt -136.42 118.33 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.725 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.26 -31.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.04 4.82 49.07 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' HD2' ' A' ' 115' ' ' LYS . 11.1 pt-20 -86.73 -169.36 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.568 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -82.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.078 0.236 . . . . 0.0 111.407 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.796 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 12.4 mmmm -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 -175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.1 mt -102.47 104.19 36.37 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.779 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_exo -72.94 120.64 6.75 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.17 2.58 . . . . 0.0 111.918 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 89' ' ' PHE . 77.7 mt -119.61 129.27 54.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.71 HD12 ' HG2' ' A' ' 153' ' ' GLN . 8.8 tp -130.91 119.75 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.015 0.435 . . . . 0.0 109.866 175.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.463 HG23 HD12 ' A' ' 91' ' ' LEU . 12.6 t -90.3 121.5 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.691 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.573 ' HB ' HG21 ' A' ' 92' ' ' VAL . 47.5 t -110.29 120.95 62.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.49 -175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.46 115.96 5.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 56.4 t30 -101.42 155.6 17.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.705 ' HB3' HD22 ' A' ' 132' ' ' LEU . 25.3 mmmt 77.09 42.15 0.14 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.024 0.827 . . . . 0.0 112.302 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -70.97 15.08 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.248 0.547 . . . . 0.0 110.868 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 129' ' ' LYS . 3.5 p-10 -103.62 -1.48 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.453 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.838 HD23 HG22 ' A' ' 96' ' ' THR . 2.7 pp -83.88 -45.65 13.0 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.318 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.485 ' N ' HD11 ' A' ' 132' ' ' LEU . 41.5 tt0 62.2 -77.66 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.806 0.843 . . . . 0.0 112.74 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.14 -16.43 59.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.82 7.16 15.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -60.4 119.43 7.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.303 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.46 -16.82 14.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.3 p -128.93 121.38 20.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 24.3 Cg_exo -63.3 132.85 37.79 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.909 2.406 . . . . 0.0 112.281 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.588 HG13 ' HG3' ' A' ' 144' ' ' ARG . 18.2 t -63.4 -22.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.636 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.5 -47.32 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.029 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 15.7 pt-20 -81.52 -27.56 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.98 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' HG13 ' A' ' 140' ' ' VAL . 38.4 mtp180 -70.33 -32.76 70.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.029 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.5 t -63.36 -35.48 80.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.3 mmtt -65.24 -36.87 85.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.877 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -58.88 -45.58 89.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 0.0 110.014 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.57 -37.58 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.523 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.56 -39.02 86.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.101 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -97.55 -5.75 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.53 30.39 60.24 Favored Glycine 0 C--O 1.228 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.16 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.5 m -120.28 -170.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.9 pm0 -114.82 150.67 35.13 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.29 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.494 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 85.6 t80 -121.15 124.15 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.507 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.67 134.21 66.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.19 130.29 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.033 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -137.62 173.44 11.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.123 0.487 . . . . 0.0 110.852 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.0 t -169.83 135.94 1.5 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.32 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.03 -6.99 58.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.727 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -77.89 -51.72 9.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.511 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -89.94 -17.82 27.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.886 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 61.44 66.43 0.86 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.628 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -130.72 132.73 45.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.31 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 65.93 16.04 10.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.24 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.529 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 90.7 t -71.15 -42.77 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -52.65 -57.52 9.77 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.54 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.24 -33.84 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 51.2 m-85 -74.97 -51.2 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.9 m-85 -66.17 -43.85 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.195 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.64 -49.3 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.775 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 90' ' ' LEU . 45.5 tp -67.21 -39.42 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.625 ' HE2' HD11 ' A' ' 64' ' ' ILE . 16.2 ptp -67.1 -29.58 69.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.742 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 18.4 mmm180 -69.33 -39.16 78.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.284 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.58 -35.34 74.11 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.911 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.27 -32.93 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.916 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -65.56 -43.47 89.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.206 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.4 m -62.8 -37.74 87.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.796 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.3 mptt -68.48 -39.43 81.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.075 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -74.14 -23.98 59.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 175.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -64.51 -28.07 69.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.67 -54.51 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.087 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.61 -35.06 91.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.059 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.577 HG21 ' HA ' ' B' ' 443' ' ' LEU . 42.9 mm -65.13 -48.78 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.847 177.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.61 -42.45 92.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.102 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.594 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 7.4 tp10 -68.81 -42.08 77.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' B' ' 443' ' ' LEU . 96.3 mt -55.68 -49.54 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.046 175.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.09 -37.78 75.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.594 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 37.4 ttm180 -63.96 -42.92 97.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.528 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.0 mm-40 -71.12 -38.44 72.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.133 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.04 -41.14 96.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.078 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.29 -48.38 81.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.474 ' HB2' HG21 ' B' ' 432' ' ' VAL . 62.8 mt -56.8 -46.9 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.533 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.498 HD12 ' OH ' ' A' ' 82' ' ' TYR . 12.9 tp -67.96 -46.56 71.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.3 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.38 -48.79 79.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.435 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -59.91 -52.98 63.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' B' ' 429' ' ' LEU . 31.2 mt -56.15 -31.2 63.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.023 0.439 . . . . 0.0 111.064 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.451 ' HE1' ' HB3' ' A' ' 48' ' ' ALA . 28.6 m170 -72.52 -48.77 37.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.213 -0.305 . . . . 0.0 111.222 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -68.81 -43.12 76.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 111.032 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.3 -44.76 96.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.469 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.678 HD21 HD13 ' B' ' 429' ' ' LEU . 10.2 mp -75.65 -27.57 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -63.98 -22.01 66.74 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.482 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.61 -2.33 74.97 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.549 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.33 -7.21 51.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.575 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.8 mt -93.62 115.18 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.649 ' HA ' ' HD2' ' B' ' 425' ' ' LYS . 0.0 OUTLIER -146.47 154.4 41.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.136 0.493 . . . . 0.0 109.773 176.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.658 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 18.7 t70 -147.62 158.57 44.06 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.414 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 8.5 mp -64.02 -26.82 68.74 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.364 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.9 m -65.48 -36.18 83.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.494 0.664 . . . . 0.0 109.393 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.658 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 22.4 mttm -73.91 -45.4 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.54 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.441 ' CD ' ' HZ3' ' B' ' 421' ' ' LYS . 36.9 mt-10 -60.38 -45.49 93.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.018 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -68.15 -41.81 81.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 110.473 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.546 ' O ' HG13 ' B' ' 432' ' ' VAL . 30.6 tpt180 -66.57 -32.9 74.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.678 HD13 HD21 ' B' ' 416' ' ' LEU . 12.4 mt -56.17 -53.05 61.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.581 ' HB3' ' CZ ' ' B' ' 434' ' ' ARG . 25.2 m95 -63.12 -45.53 91.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.622 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 39.9 tt0 -57.83 -54.77 43.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.76 -175.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.3 p -64.58 -34.25 68.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 0.0 110.796 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 33.2 tp60 -55.97 -47.79 77.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.581 ' CZ ' ' HB3' ' B' ' 430' ' ' TRP . 27.2 mtt180 -65.66 -28.46 69.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.491 . . . . 0.0 110.545 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' B' ' 432' ' ' VAL . 44.7 mt -75.76 -39.26 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.064 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.38 -45.94 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.343 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.424 HG23 ' O ' ' B' ' 434' ' ' ARG . 5.4 t -70.56 -32.57 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 110.271 -178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.71 -36.75 76.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.208 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.3 mm? -63.86 -35.93 82.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.017 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -57.49 -42.93 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.437 0.636 . . . . 0.0 109.746 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.54 89.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.466 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' B' ' 398' ' ' ILE . 32.5 mmmt -58.7 -35.75 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.489 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.608 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -64.01 -47.51 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 444' ' ' ARG . 36.4 mtm180 -82.23 -1.97 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.8 -42.09 20.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.012 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.233 -176.186 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 177' ' ' ARG . 97.3 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -93.93 7.52 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.5 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 13' ' ' ALA . 3.5 mm? -126.33 125.42 42.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.553 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HD1' HD13 ' A' ' 176' ' ' ILE . 73.5 m-70 -135.5 125.31 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.758 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HG2' ' CZ3' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -112.32 114.82 27.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.162 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 96.0 t -115.44 129.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 110.922 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -111.65 125.48 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.349 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtt -97.85 117.27 31.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.844 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.49 176.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.266 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.9 -161.83 30.52 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.875 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 p -84.7 -9.59 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.386 0.612 . . . . 0.0 110.437 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.53 -49.32 0.9 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.262 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.32 -102.78 1.06 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.855 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t 70.16 -51.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.481 0.712 . . . . 0.0 112.033 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.08 17.48 0.89 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.695 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -60.36 -47.09 87.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.408 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 56.2 m -68.32 -25.15 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.0 111.13 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.8 -49.85 35.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.614 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.454 HG21 HG23 ' A' ' 66' ' ' ILE . 19.0 p -66.37 -35.97 81.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.685 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD22 ' HB ' ' A' ' 40' ' ' VAL . 23.0 tp -76.03 -31.52 58.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.671 HE22 ' HA ' ' A' ' 39' ' ' PHE . 84.4 mm-40 -69.15 -36.79 77.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.24 -2.25 21.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.297 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 39.7 tpp -106.11 -57.71 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -96.31 -105.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.483 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 177.79 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.028 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.13 165.53 12.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.671 ' HA ' HE22 ' A' ' 33' ' ' GLN . 60.3 t80 -76.52 142.3 40.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.898 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.625 ' HB ' HD22 ' A' ' 32' ' ' LEU . 6.2 p -75.43 133.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.529 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -126.35 -32.91 2.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.207 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -144.97 109.4 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.769 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -166.95 100.73 0.54 Allowed 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.585 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 31.4 mt-10 -91.18 -59.99 0.22 Allowed Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -172.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -74.93 110.3 3.09 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.488 2.125 . . . . 0.0 114.544 -166.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.696 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 42.3 p -145.82 7.13 1.07 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.576 170.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.57 -56.51 13.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.144 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.92 26.92 6.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.492 ' CG ' ' HZ2' ' B' ' 440' ' ' LYS . 18.4 t70 -135.73 101.03 4.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.689 -174.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.5 p -108.81 167.98 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.856 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.554 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.5 t80 -131.9 104.61 6.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.199 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -84.56 133.63 34.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.314 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' NZ ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -137.04 177.3 7.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -178.009 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.641 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 39.7 ttmt -106.53 127.84 53.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.707 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.86 146.72 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.286 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.66 103.76 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.783 0.802 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.99 97.72 9.98 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 36.82 81.27 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.789 1.305 . . . . 0.0 112.648 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.41 -99.66 0.2 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.744 -1.217 . . . . 0.0 113.908 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.6 pt-20 -123.45 163.92 19.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 0.0 111.079 -172.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.641 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 36.1 mt-10 -65.11 111.1 2.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.704 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 60' ' ' GLU . 62.0 t -109.09 145.35 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.82 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -114.84 134.9 54.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.241 0.543 . . . . 0.0 110.861 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 ' SD ' ' A' ' 173' ' ' MET . 17.6 tt -129.7 142.02 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.082 -173.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -129.53 138.41 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.715 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.454 HG23 HG21 ' A' ' 31' ' ' THR . 15.2 mm -127.45 127.19 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.415 0.15 . . . . 0.0 111.068 -173.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 115.28 27.65 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.696 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 26.2 t70 -92.82 83.69 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.2 p -80.02 157.05 26.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.711 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 151.33 22.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.8 62.03 0.81 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.078 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -149.12 151.5 34.5 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 122.193 0.197 . . . . 0.0 110.581 -178.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.35 -16.33 58.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' HD12 ' A' ' 72' ' ' LEU . 6.8 m-20 -49.39 -63.09 1.21 Allowed 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.301 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.459 ' H ' HD12 ' A' ' 72' ' ' LEU . 78.6 m-85 -94.3 74.81 3.94 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.122 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.01 -21.49 66.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.359 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.769 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.56 -6.66 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.574 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.3 mt -106.36 -37.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.092 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 1.8 mtm180 -92.34 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.547 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.37 -46.16 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.194 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.769 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.1 m-20 -77.22 -16.15 59.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.842 -175.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.86 6.35 48.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 176.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.489 ' CB ' HG22 ' A' ' 114' ' ' VAL . 6.5 m-85 -79.88 -159.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.634 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.459 ' H ' ' HB3' ' A' ' 83' ' ' PHE . 31.0 mmm180 69.38 -69.45 0.16 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.058 0.543 . . . . 0.0 111.8 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 -14.48 61.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 146.74 37.47 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.927 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -105.27 -71.83 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 110.292 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.802 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.68 145.67 17.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.712 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.2 128.69 47.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 111.071 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.543 HD23 ' HB3' ' A' ' 124' ' ' LEU . 80.7 mt -104.96 113.28 26.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.482 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.3 106.31 17.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.878 HG11 ' HB ' ' A' ' 126' ' ' VAL . 26.8 m -116.25 134.18 60.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 111.106 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -147.84 154.18 40.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.561 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.3 p -93.11 152.0 19.52 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.82 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.94 -4.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.915 0.388 . . . . 0.0 111.086 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 132' ' ' LEU . 0.8 OUTLIER -91.6 4.15 53.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.805 174.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.53 93.16 3.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.942 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -71.78 -29.3 64.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.23 -53.89 31.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 m -60.73 -27.33 67.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.424 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.16 -49.88 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 m -68.13 -28.3 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.286 0.565 . . . . 0.0 110.431 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.95 63.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.124 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 39.8 p -56.11 -37.06 68.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.252 0.549 . . . . 0.0 111.033 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.22 -35.78 74.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.388 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.61 -39.56 80.8 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.41 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.92 -50.26 73.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.43 ' HA ' HD12 ' A' ' 111' ' ' ILE . 14.0 ptm180 -63.83 -38.45 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.099 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -67.24 -37.28 83.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 110.651 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.87 -35.58 81.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 109.739 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 86.0 mt -66.42 -51.2 60.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.558 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.457 ' HA ' ' H ' ' A' ' 116' ' ' ALA . 8.6 mp -69.75 -20.95 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -61.55 -34.98 76.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 83' ' ' PHE . 19.9 m -104.24 -10.04 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.98 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.694 ' HB3' ' HG3' ' A' ' 118' ' ' GLU . 42.4 mttm -121.55 -87.73 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.027 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.457 ' H ' ' HA ' ' A' ' 112' ' ' LEU . . . 66.15 -74.47 0.06 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.485 0.714 . . . . 0.0 112.091 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.35 42.31 0.94 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.703 0.287 . . . . 0.0 111.423 -173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.694 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 5.2 mm-40 -102.2 -33.1 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.426 ' HB3' ' HD2' ' A' ' 120' ' ' LYS . 31.8 t70 75.23 -48.51 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.37 0.668 . . . . 0.0 111.762 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.721 ' HG3' ' HB3' ' A' ' 179' ' ' LYS . 2.5 mptp? -84.1 50.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 -173.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 115' ' ' LYS . 52.4 mt -114.92 90.15 21.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.802 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 2.6 Cg_endo -87.25 131.79 3.08 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.173 2.582 . . . . 0.0 111.72 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -117.62 122.87 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 0.0 110.649 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.703 HD13 ' HG2' ' A' ' 153' ' ' GLN . 11.2 tp -119.09 122.75 42.79 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.4 ' N ' HD11 ' A' ' 124' ' ' LEU . 20.6 t -88.57 126.86 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.511 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.878 ' HB ' HG11 ' A' ' 92' ' ' VAL . 42.5 t -127.44 129.78 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.157 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.07 138.6 13.95 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -136.13 179.54 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.335 0.567 . . . . 0.0 110.704 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 62.98 63.83 0.91 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.423 0.689 . . . . 0.0 111.164 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -82.62 5.32 21.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.6 -30.22 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 112.045 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.642 HD13 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -83.37 -58.38 2.86 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.57 -176.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.593 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 40.3 tt0 67.55 -67.48 0.18 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.679 0.791 . . . . 0.0 111.683 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.77 -34.23 77.86 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -86.27 26.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.648 0.737 . . . . 0.0 110.794 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.82 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.4 ttm180 -66.0 113.68 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.099 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -78.15 -40.93 36.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.25 0.548 . . . . 0.0 110.854 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -108.75 124.73 33.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.962 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.3 Cg_exo -56.42 114.42 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.34 2.027 . . . . 0.0 110.762 175.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.549 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -69.79 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 110.235 -174.354 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.11 -48.05 83.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.0 pt-20 -77.56 -19.55 55.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.514 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.95 79.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.5 mtp180 -65.4 -35.0 79.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.825 173.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.3 t -63.2 -33.59 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -66.09 -35.71 81.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 0.0 111.232 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.41 98.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.071 0.463 . . . . 0.0 109.78 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.98 -44.79 95.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.955 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -58.54 -41.39 85.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.397 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -91.4 -13.83 31.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.597 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.78 34.43 18.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.296 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.08 -168.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.592 0.234 . . . . 0.0 110.979 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.703 ' HG2' HD13 ' A' ' 124' ' ' LEU . 3.2 pm0 -112.53 157.27 21.34 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.53 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -124.25 125.55 44.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.57 128.58 72.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -86.08 134.77 33.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.561 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.0 p -126.37 134.92 50.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.262 0.553 . . . . 0.0 111.455 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.4 m -113.14 97.66 6.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.332 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.4 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -66.68 -45.35 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.419 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 26.2 p -88.2 -3.59 58.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 61.47 49.04 5.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -117.24 139.25 51.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.573 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 70.18 10.22 7.27 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.847 0.717 . . . . 0.0 111.922 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 33' ' ' GLN . 60.2 t -67.4 -47.59 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.42 -28.63 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.844 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.25 -52.55 64.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.896 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.63 -28.34 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.965 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.02 -56.59 4.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.425 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 22.3 m-85 -62.52 -41.12 98.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.509 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.03 -41.7 97.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 90' ' ' LEU . 34.5 tp -65.83 -38.94 90.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.496 ' SD ' HD11 ' A' ' 64' ' ' ILE . 54.3 mtp -61.09 -31.24 70.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.707 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 1.5 mmt85 -68.82 -45.2 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.629 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 122' ' ' PRO . 13.6 mt-10 -58.14 -39.81 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.325 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.615 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 72.6 mt -56.38 -41.1 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.547 ' HG2' HD22 ' A' ' 12' ' ' LEU . 40.3 mtt180 -61.59 -45.03 95.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.627 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -39.47 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.509 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.721 ' HB3' ' HG3' ' A' ' 120' ' ' LYS . 14.5 mptt -69.88 -31.87 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.8 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 70.3 mmtt -66.36 -51.73 54.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.309 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.321 -176.782 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.304 0.573 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 41.8 mt-30 -57.58 -35.78 70.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.749 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.7 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.71 -43.98 98.18 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.708 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.552 ' O ' HG13 ' B' ' 402' ' ' ILE . 23.9 mm -56.36 -51.93 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.501 ' HB3' ' HZ3' ' B' ' 399' ' ' LYS . 8.7 mtpm? -62.1 -40.3 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -176.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 1.4 mm-40 -65.28 -30.58 71.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.2 mt -58.31 -50.35 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.56 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 25.0 mmt180 -63.03 -33.06 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 177.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.492 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 72.0 ttt180 -60.61 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.54 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.401 ' HB2' HD13 ' B' ' 436' ' ' LEU . 72.7 mm-40 -69.46 -36.27 76.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.56 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 47.7 mt-10 -59.69 -44.57 93.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.07 175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.6 -45.59 92.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.5 mt -58.31 -51.42 69.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 413' ' ' HIS . 23.7 tp -58.97 -48.58 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.774 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -55.77 -39.57 71.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.722 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -58.79 -53.48 57.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.414 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 5.7 mp -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.519 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.578 ' HB2' ' O ' ' B' ' 409' ' ' LEU . 0.3 OUTLIER -57.79 -43.85 85.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.63 -39.95 50.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.03 -49.96 63.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.401 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 64.2 mt -62.84 -24.55 67.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.538 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.73 -17.16 54.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 111.386 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.13 -2.94 84.39 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.655 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.77 -18.78 34.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.141 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.6 mt -75.17 126.32 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -153.95 154.08 33.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.457 0.646 . . . . 0.0 110.336 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.675 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 20.8 t70 -148.01 162.91 38.4 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.96 0.409 . . . . 0.0 110.656 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.7 m -66.44 -32.15 73.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.675 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 43.1 mmtt -73.87 -49.42 25.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.229 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.98 -43.12 91.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.307 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.75 -34.88 79.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 431' ' ' GLU . 28.9 tpt180 -65.51 -47.35 76.26 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 8.5 mp -56.4 -49.66 73.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.476 ' CZ3' ' HG2' ' A' ' 16' ' ' LYS . 65.5 m95 -57.39 -32.08 66.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.875 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' B' ' 434' ' ' ARG . 9.3 tp10 -68.97 -54.25 16.32 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.213 0.32 . . . . 0.0 110.898 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.584 ' HA ' HD12 ' B' ' 435' ' ' ILE . 3.6 t -65.8 -38.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 110.584 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -56.52 -49.61 74.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.393 1.092 . . . . 0.0 109.514 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.545 ' HB3' ' O ' ' B' ' 431' ' ' GLU . 6.1 ttt180 -56.65 -45.78 81.41 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.063 -1.88 . . . . 0.0 111.671 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' B' ' 432' ' ' VAL . 26.8 mt -65.18 -49.41 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' B' ' 405' ' ' GLN . 38.7 tp -58.43 -42.42 87.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.554 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.7 t -70.34 -42.36 71.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.8 0.333 . . . . 0.0 111.012 -175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.94 -35.37 80.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.388 0.614 . . . . 0.0 109.89 176.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.25 -32.8 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.069 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.492 ' HZ2' ' CG ' ' A' ' 49' ' ' ASP . 77.1 mttt -64.99 -36.65 85.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.971 0.415 . . . . 0.0 110.276 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.483 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 0.6 OUTLIER -66.86 -40.04 87.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -57.37 -35.41 69.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.164 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.52 ' HA ' HG23 ' B' ' 398' ' ' ILE . 2.6 tm? -63.26 -50.39 70.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.328 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -74.54 -12.38 60.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.734 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -79.8 -16.71 54.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 109.677 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.444 179.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.384 0 CA-C-O 120.97 0.414 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 62' ' ' VAL . . . -93.96 14.08 20.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 33.0 tp -119.61 115.33 23.75 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -125.8 142.93 51.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.775 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 31.3 mmtp -119.23 116.6 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.12 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HB ' HD12 ' A' ' 66' ' ' ILE . 57.3 t -123.49 113.02 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.0 110.426 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.688 HG12 HD13 ' A' ' 67' ' ' LEU . 56.5 mt -101.65 127.31 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.789 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 38.5 mtt -95.9 110.07 22.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.422 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -95.3 145.97 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 163.7 -170.67 39.12 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.528 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 4.1 p -84.6 -24.31 29.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.555 0.693 . . . . 0.0 110.172 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.46 -41.64 1.34 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.925 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -122.67 4.88 Favored Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 93' ' ' PHE . 60.9 t 68.31 -52.13 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.544 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.65 32.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 20.4 ttpp -86.72 -63.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.271 . . . . 0.0 111.221 -172.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -64.75 -16.6 63.2 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.14 74.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.81 -37.32 76.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.567 HG21 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -61.62 -53.99 48.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.509 -176.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.06 -31.37 71.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.525 0.202 . . . . 0.0 111.199 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 63.3 mm-40 -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.576 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 67.8 t80 -73.66 -33.18 64.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.247 0.546 . . . . 0.0 110.374 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.4 mtp -75.92 -62.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.001 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -119.42 -2.65 10.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 37.2 t70 69.78 16.69 7.81 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.43 145.74 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.733 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.1 148.57 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.46 105.74 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.98 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.5 -40.49 9.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -160.47 101.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.264 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -155.75 114.69 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.736 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.4 tt0 -96.5 -59.62 0.17 Allowed Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 11.6 Cg_endo -52.45 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.158 2.572 . . . . 0.0 114.819 -166.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -153.96 65.14 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.368 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -86.33 -59.72 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 109.722 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.13 7.01 6.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.877 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.15 112.74 1.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.974 -171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 1.3 m -104.37 149.07 25.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.863 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.76 112.05 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.319 0.581 . . . . 0.0 111.071 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -75.53 107.09 7.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -100.92 130.03 46.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.034 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -86.9 112.54 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 18.6 m -134.56 153.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.78 136.74 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.726 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -120.25 96.76 5.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 46.58 75.5 0.12 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.21 -132.13 2.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.497 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 pt-20 -95.63 157.53 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.262 0.225 . . . . 0.0 110.641 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.47 111.37 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLU . 92.1 t -106.41 141.36 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 -172.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -113.47 117.88 32.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.858 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.479 HD13 ' SD ' ' A' ' 173' ' ' MET . 6.5 tt -109.74 125.1 66.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.941 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -107.46 135.48 48.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 31' ' ' THR . 42.5 mm -118.32 126.24 74.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.471 -172.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.688 HD13 HG12 ' A' ' 18' ' ' ILE . 33.7 mt -98.55 103.97 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.53 80.22 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.9 p -76.52 159.95 29.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.424 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 125.0 35.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.546 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -86.05 66.52 3.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.181 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -132.74 -178.31 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.596 0.236 . . . . 0.0 110.736 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -103.06 0.32 31.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.409 ' HB2' HD11 ' A' ' 72' ' ' LEU . 7.7 m-20 -74.6 -73.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.612 . . . . 0.0 111.306 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CB ' HD12 ' A' ' 78' ' ' ILE . 76.6 m-85 -79.82 71.19 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.022 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.56 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.41 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.689 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -65.0 -23.1 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.186 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 75' ' ' TYR . 63.0 mt -95.06 -15.85 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.416 0.627 . . . . 0.0 110.181 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -91.61 -63.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.989 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.66 -57.25 4.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.27 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.718 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 37.8 m-20 -71.03 -36.09 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.12 -169.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -31.64 70.29 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.502 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 9.1 m-30 -65.63 -27.26 68.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.518 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 2.1 tmm_? -60.61 -30.27 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.642 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 41.9 m -104.12 19.27 20.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.197 0.522 . . . . 0.0 111.175 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.24 -164.99 31.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.832 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.518 ' OE2' HG22 ' A' ' 176' ' ' ILE . 79.1 tt0 -155.96 -75.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.055 0.427 . . . . 0.0 110.899 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.557 ' HA3' HD23 ' A' ' 172' ' ' LEU . . . -89.81 151.16 21.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.523 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' HB2' ' HG ' ' A' ' 123' ' ' LEU . 88.5 m-85 -134.76 134.46 40.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.0 0.429 . . . . 0.0 111.484 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 mt -103.78 125.1 50.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.538 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -97.21 107.64 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.175 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.02 132.78 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.977 0.418 . . . . 0.0 110.849 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.621 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.1 p90 -153.51 165.19 36.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.917 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -116.39 138.81 51.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.643 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -76.09 3.62 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.86 0.362 . . . . 0.0 111.682 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.483 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.2 p -94.56 -10.6 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.113 0.482 . . . . 0.0 109.73 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.91 108.91 14.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.859 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -68.16 -24.16 64.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.88 -57.64 11.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.993 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 p -70.27 -24.16 63.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -64.32 -48.06 77.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.461 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 m -65.76 -31.02 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.159 0.504 . . . . 0.0 110.773 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.18 68.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.12 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 68.3 p -55.8 -39.48 71.36 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.792 0.33 . . . . 0.0 111.177 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.17 85.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.323 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.51 -43.16 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' O ' HG13 ' A' ' 111' ' ' ILE . 24.2 m-85 -57.44 -51.41 69.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.613 ' HA ' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -74.16 -33.73 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.72 -174.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.15 -37.53 75.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.941 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.0 -30.66 71.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.186 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 108' ' ' ARG . 85.3 mt -63.11 -50.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.126 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.44 -22.14 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -68.08 -46.21 71.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.964 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.696 HG21 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -87.44 -20.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.696 ' HG3' HG21 ' A' ' 114' ' ' VAL . 44.1 mtmt -127.82 -102.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.24 -42.77 0.47 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.775 0.83 . . . . 0.0 112.761 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 115' ' ' LYS . 43.5 mt-10 -79.21 34.6 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 55.0 mt-10 -97.98 -96.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.816 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -143.74 -72.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 72.9 mmtt -152.42 113.65 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.429 HG22 HG22 ' A' ' 111' ' ' ILE . 70.5 mt -89.91 108.0 22.91 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-O 120.9 0.381 . . . . 0.0 110.378 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 57.4 Cg_endo -91.13 129.49 1.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.335 2.69 . . . . 0.0 112.474 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' A' ' 89' ' ' PHE . 5.7 mp -124.99 164.86 19.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.674 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -150.16 120.28 7.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.237 175.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 6.9 t -88.6 124.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.228 0.537 . . . . 0.0 109.57 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.1 t -113.95 111.99 38.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.508 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.76 112.38 3.7 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.08 163.64 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.099 0.449 . . . . 0.0 109.837 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 132' ' ' LEU . 1.2 mptm? 64.17 75.11 0.39 Allowed 'General case' 0 C--O 1.224 -0.26 0 O-C-N 123.698 0.624 . . . . 0.0 112.053 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.4 m -96.03 -2.52 46.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.372 0.606 . . . . 0.0 109.389 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -78.94 -3.31 44.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.846 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.07 -45.11 9.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 58.52 -78.97 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.136 0.974 . . . . 0.0 112.96 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.35 -14.22 62.72 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.657 0.383 . . . . 0.0 111.941 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 92.4 mtt180 -93.72 11.82 27.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.122 -177.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.643 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 48.7 ttp180 -65.91 113.43 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -94.19 -33.19 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.278 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 3.4 p -101.93 125.81 35.72 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.226 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 50.5 Cg_exo -56.69 110.54 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.734 2.289 . . . . 0.0 111.946 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -67.98 -16.61 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.72 -52.75 63.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.491 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 7.7 pt-20 -74.85 -23.34 58.41 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.089 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 146' ' ' LYS . . . -65.1 -33.51 76.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 110.266 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.2 mtp180 -70.46 -39.29 74.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.685 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 m -60.74 -31.17 70.5 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.641 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 69.9 mmtt -60.07 -47.39 86.07 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.44 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.997 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.29 -48.01 81.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.436 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.75 -42.24 95.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.63 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -76.66 -23.76 53.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.82 40.73 6.59 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.191 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 123' ' ' LEU . 14.1 m -134.79 -170.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.423 . . . . 0.0 110.932 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.674 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -111.19 158.73 18.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.554 176.477 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -126.03 120.18 29.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.82 127.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.745 0.307 . . . . 0.0 110.813 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.53 127.85 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 58.5 p -136.18 171.38 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 111.195 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.9 m -153.31 106.31 2.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.597 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.57 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.653 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -62.11 -36.44 81.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.77 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.7 p -103.29 3.49 35.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 59.41 32.47 21.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.587 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.05 116.72 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.505 -175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.28 17.54 10.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.801 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.45 -38.15 80.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.234 0.54 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.73 -28.22 62.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.559 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 63.8 tttm -60.64 -54.08 49.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.519 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.87 -32.82 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -170.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -70.58 -52.88 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.896 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -68.71 -31.72 71.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 3.0 t70 -62.41 -51.66 66.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.69 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.609 HD21 HD12 ' A' ' 176' ' ' ILE . 7.3 tt -68.44 -34.63 76.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.305 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.524 ' HA ' HD11 ' A' ' 176' ' ' ILE . 53.9 mtm -63.28 -30.49 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.41 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.478 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 19.5 mmm180 -66.03 -44.35 84.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.83 -39.35 74.06 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.322 0.582 . . . . 0.0 111.164 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.609 HD12 HD21 ' A' ' 172' ' ' LEU . 98.6 mt -60.17 -26.18 35.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.696 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -71.16 -52.16 20.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.9 m -60.99 -38.72 86.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.382 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.476 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -54.74 -54.06 46.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.232 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HZ2' HG22 ' A' ' 176' ' ' ILE . 41.0 mttp -72.13 -28.61 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.948 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 172.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.125 0.488 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.01 -27.59 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -61.77 -50.88 70.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.475 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.05 88.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.921 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.547 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -64.18 -52.44 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -60.41 -41.77 94.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.665 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.2 mt-10 -62.34 -41.4 98.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.448 . . . . 0.0 110.55 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 17.3 tp10 -70.51 -34.16 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 398' ' ' ILE . 91.5 mt -58.2 -49.4 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.5 -36.5 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.1 ttm180 -65.77 -48.32 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.411 ' HB2' HD11 ' B' ' 436' ' ' LEU . 89.1 mm-40 -68.2 -34.86 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.562 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.78 -42.06 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.974 173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -67.37 -44.63 78.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.2 mt -57.48 -51.42 69.53 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.147 0.498 . . . . 0.0 110.274 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.444 ' N ' HG11 ' B' ' 432' ' ' VAL . 30.2 tp -65.54 -36.63 84.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.417 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -65.46 -39.81 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 33.8 t -59.78 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.87 -38.34 75.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.918 175.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.03 -48.47 79.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.212 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -75.35 -44.44 45.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.051 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.97 -48.64 79.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.559 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.718 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.3 mp -74.55 -26.42 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.667 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.15 -23.6 62.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.18 -3.17 81.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.112 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.35 22.54 14.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 65.0 mt -126.4 115.68 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.512 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 21.2 pttp -133.08 164.18 27.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.173 0.511 . . . . 0.0 110.475 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.654 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.4 t70 -147.25 164.0 34.58 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.57 -35.65 78.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.905 0.384 . . . . 0.0 110.651 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.6 m -63.92 -34.14 77.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.151 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.654 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.5 mmtt -70.63 -50.51 36.15 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.833 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.54 -47.17 85.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.236 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 90.2 mt-10 -64.16 -48.04 77.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.626 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.588 ' O ' HG22 ' B' ' 432' ' ' VAL . 17.9 mmt180 -61.94 -36.7 82.19 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.873 -0.149 . . . . 0.0 111.028 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' B' ' 429' ' ' LEU . 7.5 mt -55.93 -46.28 78.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.606 0.241 . . . . 0.0 111.297 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.723 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 11.6 m95 -65.17 -43.46 91.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.587 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.752 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 5.0 mm-40 -57.17 -50.46 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.132 0.27 . . . . 0.0 111.269 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' B' ' 435' ' ' ILE . 18.0 t -60.36 -43.44 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 CA-C-O 121.469 0.652 . . . . 0.0 110.1 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.485 ' NE2' ' HB ' ' B' ' 437' ' ' THR . 36.0 tp60 -56.86 -48.22 78.61 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.67 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.752 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 43.0 mtp180 -55.77 -42.61 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.008 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' B' ' 432' ' ' VAL . 25.7 mt -65.43 -52.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.672 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' B' ' 405' ' ' GLN . 28.5 tp -57.34 -43.26 83.26 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.485 ' HB ' ' NE2' ' B' ' 433' ' ' GLN . 14.5 t -72.29 -39.6 68.19 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.036 -0.415 . . . . 0.0 111.348 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.4 78.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' B' ' 402' ' ' ILE . 35.0 tp -67.96 -34.95 77.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.794 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.52 -41.92 86.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.497 0.665 . . . . 0.0 109.414 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -68.75 -40.85 79.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.104 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.607 ' HZ1' ' HG2' ' B' ' 445' ' ' GLU . 30.3 mmmt -58.34 -32.48 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.32 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' B' ' 398' ' ' ILE . 59.9 tp -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.164 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.613 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 0.2 OUTLIER -81.94 -4.84 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.194 177.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.607 ' HG2' ' HZ1' ' B' ' 442' ' ' LYS . 4.7 tp10 -86.03 -36.17 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.962 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 178.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -92.99 7.51 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 110.261 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -134.25 124.4 25.85 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.828 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -124.22 137.65 54.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.915 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.639 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 1.3 tppt? -114.52 107.17 15.17 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.587 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.12 130.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.333 0.587 . . . . 0.0 111.113 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.2 mt -117.08 113.3 42.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.5 ttm -93.07 118.28 31.02 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -105.89 170.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.442 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.8 169.55 42.69 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 t -74.15 -25.83 59.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.021 0.41 . . . . 0.0 110.217 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.77 -63.07 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -149.05 -63.61 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.307 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t 70.55 -59.58 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.644 0.778 . . . . 0.0 111.03 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.69 32.65 0.02 OUTLIER Glycine 0 C--N 1.315 -0.604 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.435 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.569 ' HG2' HG23 ' A' ' 92' ' ' VAL . 34.5 mtmt -62.55 -47.34 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 0.0 111.398 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -63.12 -18.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.834 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.33 -51.98 21.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.928 0.394 . . . . 0.0 110.534 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.34 -36.21 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.446 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 35' ' ' MET . 68.4 p -72.3 -40.36 67.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.938 -177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.945 HD22 ' HB ' ' A' ' 40' ' ' VAL . 32.5 tp -65.03 -36.15 83.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.829 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.7 mm100 -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.101 0.476 . . . . 0.0 109.774 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -69.55 -23.97 63.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.782 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 31' ' ' THR . 66.8 mtp -82.33 -57.33 3.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.181 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 73.5 m-85 -112.32 -4.25 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 30.6 t70 74.16 -16.05 0.55 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.813 0.445 . . . . 0.0 112.197 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.32 156.41 16.45 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.082 -0.386 . . . . 0.0 110.388 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -78.82 135.9 37.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.096 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.945 ' HB ' HD22 ' A' ' 32' ' ' LEU . 4.2 p -73.12 127.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.098 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -100.7 -42.97 6.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.89 126.86 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.327 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -175.59 116.05 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.822 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 mm-40 -120.8 -48.23 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.822 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 9.1 Cg_endo -49.61 97.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.766 2.311 . . . . 0.0 113.414 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.572 ' HA ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -149.5 47.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.324 176.147 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 78' ' ' ILE . 56.8 mtpt -79.51 -56.44 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.19 24.46 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.71 0.767 . . . . 0.0 109.218 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.6 t0 -96.15 116.69 29.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.603 -175.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -125.2 159.45 31.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.537 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.631 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.6 m-85 -132.69 144.55 50.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.594 0.712 . . . . 0.0 112.68 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -103.26 109.82 21.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.088 -1.414 . . . . 0.0 109.808 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -106.01 139.6 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.963 0.411 . . . . 0.0 110.934 -176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 37.6 ttmt -111.14 126.74 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.9 m -138.81 162.87 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -133.93 126.31 50.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.407 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -112.72 98.22 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.481 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 45.29 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.45 1.094 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.33 -107.87 0.47 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.858 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' HG21 ' A' ' 56' ' ' VAL . 12.3 pt-20 -119.73 157.18 29.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 86.9 mt-10 -59.88 125.86 25.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.335 0.588 . . . . 0.0 111.265 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 13' ' ' ALA . 6.6 t -108.41 148.07 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.637 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -113.96 148.11 37.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 111.251 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -148.57 123.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.088 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.639 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 37.1 m-20 -95.58 131.08 42.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.05 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.56 116.73 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.91 125.31 48.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -104.7 104.46 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 p -78.43 138.43 38.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 111.54 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.44 63.41 4.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.366 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -124.96 2.68 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 76.2 -45.7 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.775 0.83 . . . . 0.0 112.133 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' HB2' HD13 ' A' ' 72' ' ' LEU . 1.5 m-20 -46.68 -65.93 0.48 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.445 ' HB3' HD12 ' A' ' 78' ' ' ILE . 96.5 m-85 -78.78 59.56 2.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.209 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.7 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.776 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.91 -24.7 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.193 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.544 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 51.6 mt -97.79 -28.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -92.99 -65.85 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.53 -49.37 33.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.939 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.627 HD21 ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -74.34 -18.3 60.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.171 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -86.86 -21.42 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 122.372 -0.205 . . . . 0.0 111.324 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.8 m-30 -58.57 -20.53 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.744 0.307 . . . . 0.0 111.625 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -56.71 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.677 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.5 m -84.59 26.34 0.81 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.0 138.85 14.11 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.18 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -81.22 -74.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.714 0.293 . . . . 0.0 111.246 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -102.48 151.24 18.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.816 -173.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -126.76 129.94 49.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.944 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -106.02 125.51 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 HD21 ' A' ' 123' ' ' LEU . 59.1 mt -100.84 108.14 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.962 HG13 ' HB ' ' A' ' 126' ' ' VAL . 34.9 m -119.47 137.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.058 0.456 . . . . 0.0 110.85 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -151.91 169.61 21.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.554 ' HG ' ' HB2' ' A' ' 129' ' ' LYS . 23.0 t -110.44 144.69 38.85 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.79 -10.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.893 HG22 HD11 ' A' ' 132' ' ' LEU . 20.5 p -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.61 87.08 6.29 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.212 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.38 -24.58 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.189 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.67 -28.94 67.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.039 0.447 . . . . 0.0 110.638 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.5 m -69.11 -23.14 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.976 0.417 . . . . 0.0 110.347 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -76.94 -31.81 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -62.84 -39.4 94.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.258 0.551 . . . . 0.0 110.747 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.6 60.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.616 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 48.1 p -55.95 -42.08 75.66 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.555 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.88 68.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.71 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.62 -29.65 66.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.475 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.4 m-85 -60.67 -38.66 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.557 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -58.93 -58.77 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.681 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 4.8 pt-20 -61.83 -33.4 74.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.201 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.52 -41.33 98.49 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.98 0.419 . . . . 0.0 110.386 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 107' ' ' PHE . 79.5 mt -68.18 -42.05 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.241 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -68.25 -16.48 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 86.2 mtt180 -69.36 -31.23 69.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.981 0.419 . . . . 0.0 110.446 175.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.527 HG21 ' CB ' ' A' ' 83' ' ' PHE . 18.9 m -102.95 -27.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.045 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 26.4 mtmm -143.46 104.33 4.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.495 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.36 -36.25 3.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.285 0.565 . . . . 0.0 109.539 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.97 64.5 2.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.473 ' HG2' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -107.53 -167.3 1.24 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.819 -171.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 18.5 m-20 -82.96 -87.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.636 ' HB3' ' HG3' ' A' ' 179' ' ' LYS . 2.9 mptp? -144.44 94.02 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.242 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 118' ' ' GLU . 71.7 mt -66.28 112.33 8.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 0.0 110.982 175.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.742 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.1 Cg_endo -95.29 121.09 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.812 3.008 . . . . 0.0 112.19 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.463 HD21 HD12 ' A' ' 91' ' ' LEU . 4.8 mp -110.95 151.79 27.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.556 ' CD1' ' HG3' ' A' ' 153' ' ' GLN . 3.2 tp -150.24 121.97 8.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.547 ' N ' HD13 ' A' ' 124' ' ' LEU . 21.8 t -92.77 118.85 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.962 ' HB ' HG13 ' A' ' 92' ' ' VAL . 39.5 t -114.57 125.45 71.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.689 -176.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.41 110.49 3.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.542 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -107.0 150.59 26.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.554 ' HB2' ' HG ' ' A' ' 94' ' ' SER . 30.9 mmtp 57.74 81.15 0.15 Allowed 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.621 0.575 . . . . 0.0 109.582 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.2 p -118.73 9.17 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.446 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.65 8.28 10.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.489 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.893 HD11 HG22 ' A' ' 96' ' ' THR . 0.2 OUTLIER -124.1 54.65 1.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.762 -178.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.8 -31.52 71.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.344 -174.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.44 -17.48 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.705 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -95.96 2.35 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.314 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 136' ' ' ARG . 39.2 ttm180 -59.54 114.29 2.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.854 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -98.3 -18.44 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.653 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.93 109.78 60.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.301 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.67 119.96 7.42 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.06 1.84 . . . . 0.0 110.265 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.471 HG12 ' HE2' ' A' ' 154' ' ' TYR . 10.0 t -57.0 -24.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.978 0.418 . . . . 0.0 110.466 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.27 -54.81 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.405 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.16 -23.79 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.527 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.33 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.2 0.524 . . . . 0.0 110.018 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -69.01 -36.67 78.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.187 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -58.16 -45.19 87.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.523 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.1 mmtt -61.77 -41.58 97.88 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.089 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.13 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.26 -40.78 90.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.581 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.94 -36.25 80.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -87.73 -12.22 45.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.16 35.43 27.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.95 -177.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.907 0.384 . . . . 0.0 111.719 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.556 ' HG3' ' CD1' ' A' ' 124' ' ' LEU . 7.0 pt20 -104.51 141.47 36.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.994 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.4 t80 -122.27 113.95 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.149 0.499 . . . . 0.0 110.1 171.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.82 142.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.441 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.7 139.68 31.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.051 0.453 . . . . 0.0 110.59 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 164' ' ' ASN . 67.3 p -131.06 164.42 25.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.6 -177.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.1 t -145.5 134.19 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.202 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.72 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.433 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.31 -56.99 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.907 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 35.0 p -92.93 -7.83 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 55.4 74.29 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.711 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -123.57 122.48 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.613 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.505 ' HB2' HG23 ' A' ' 157' ' ' THR . 47.2 m-80 66.97 16.32 10.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.894 0.746 . . . . 0.0 111.96 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.5 -56.33 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.673 0.273 . . . . 0.0 111.026 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.62 -35.5 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.356 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.42 -58.99 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.796 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.49 -26.86 31.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.6 -56.1 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.499 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.7 m-85 -66.23 -33.03 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.463 -175.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -57.26 -51.35 69.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.92 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 122' ' ' PRO . 37.3 tp -68.39 -39.53 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.046 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.35 -31.51 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.621 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.2 OUTLIER -74.0 -39.76 63.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.888 -0.142 . . . . 0.0 110.934 176.173 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.63 -31.75 72.64 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -56.21 -30.3 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.824 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.94 -51.57 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.179 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.16 -36.56 79.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.885 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.636 ' HG3' ' HB3' ' A' ' 120' ' ' LYS . 14.1 mptt -58.83 -52.93 63.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.276 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.07 -35.63 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.41 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 46.1 mtt . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 174.462 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.515 ' O ' HG12 ' B' ' 398' ' ' ILE . 37.9 m . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.599 0.238 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.56 -29.58 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.45 34.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.417 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.79 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.012 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.515 HG12 ' O ' ' B' ' 394' ' ' THR . 47.7 mm -59.28 -51.31 74.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.591 0.234 . . . . 0.0 110.51 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' B' ' 402' ' ' ILE . 93.3 mttt -59.48 -40.8 88.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.381 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.37 -36.38 83.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 0.0 110.628 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 5.7 mm-40 -74.48 -37.2 63.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.653 HG12 ' HB3' ' B' ' 439' ' ' LEU . 99.5 mt -53.25 -53.01 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 172.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -65.66 -32.38 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -60.84 -52.97 62.82 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.8 mm-40 -65.62 -33.66 76.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.781 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.3 mt-10 -59.52 -44.53 93.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.22 -53.45 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.28 -48.66 73.71 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.665 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.53 HD11 HG13 ' B' ' 432' ' ' VAL . 21.9 tp -65.74 -47.55 74.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.433 0.635 . . . . 0.0 110.358 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.68 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 53.8 t30 -56.32 -50.06 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.334 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.1 m -59.81 -49.55 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.13 -51.0 71.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.723 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 9.4 p80 -68.4 -31.19 70.36 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.552 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.4 mtt180 -68.98 -47.09 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.681 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -52.23 66.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -178.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 429' ' ' LEU . 10.4 mp -62.24 -26.57 68.45 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.05 -19.62 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.287 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.61 86.88 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.19 1.08 51.13 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.23 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.2 mt -99.81 115.81 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -133.9 153.33 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 110.492 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.621 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.1 t70 -148.98 163.01 38.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.162 0.506 . . . . 0.0 110.475 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -63.52 -31.61 72.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.621 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.2 mmtt -69.41 -51.1 39.67 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.543 -176.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.83 -51.43 64.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG11 ' B' ' 432' ' ' VAL . 33.6 mmt180 -61.08 -44.74 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.127 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.553 HD11 HD22 ' B' ' 416' ' ' LEU . 16.2 mt -55.57 -53.3 58.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.544 0.528 . . . . 0.0 111.818 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.677 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -66.79 -36.88 83.44 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.416 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 435' ' ' ILE . 28.7 mm-40 -66.36 -55.44 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.673 HG11 ' O ' ' B' ' 428' ' ' ARG . 7.5 p -62.66 -33.03 57.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.082 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -55.73 -55.63 29.96 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.365 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.47 -25.06 63.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.821 -177.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.5 mt -72.79 -42.61 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.82 -44.24 90.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.631 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 14.7 t -72.1 -31.46 66.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.983 0.421 . . . . 0.0 110.436 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.12 -36.88 84.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.653 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.59 -45.31 92.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.858 175.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -57.73 -40.89 80.7 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.321 0.581 . . . . 0.0 110.429 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.14 -46.15 88.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.919 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.2 mmmt -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.55 -38.98 88.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.359 . . . . 0.0 110.319 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.519 0.676 . . . . 0.0 109.477 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.472 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 1.2 tp10 -75.93 -35.6 59.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.276 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.842 -179.215 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -105.19 11.04 33.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.695 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -141.08 108.06 5.43 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -114.94 143.72 44.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.66 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.96 116.08 31.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.192 178.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG22 HD11 ' A' ' 64' ' ' ILE . 92.8 t -121.11 123.32 69.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.897 0.38 . . . . 0.0 110.737 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.39 130.47 64.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmt -90.18 122.92 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.288 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.47 142.25 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.254 0.55 . . . . 0.0 110.923 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.8 161.23 24.74 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -66.96 107.9 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.853 0.327 . . . . 0.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 67.15 -88.02 0.15 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.137 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.6 47.99 0.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.73 60.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 112.029 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.6 34.9 5.84 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.167 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.882 ' HB3' HG21 ' A' ' 92' ' ' VAL . 20.9 pttp -120.0 2.38 10.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.728 0.764 . . . . 0.0 112.12 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -104.69 -26.57 12.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.519 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.71 -49.77 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.713 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.74 -35.11 80.0 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.675 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 p -67.39 -44.13 79.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.199 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.1 -37.11 79.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.106 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.778 HE22 ' HB1' ' A' ' 159' ' ' ALA . 78.6 mt-30 -71.12 -28.91 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.274 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.63 -39.61 67.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.678 0.275 . . . . 0.0 111.356 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.702 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mpp? -90.72 -48.36 7.1 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -98.58 -24.73 14.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 64.35 63.67 0.75 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.552 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.26 149.75 17.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.845 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.96 136.74 38.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.74 118.04 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.873 0.844 . . . . 0.0 111.472 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -123.02 -37.08 2.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.015 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -134.77 85.37 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.757 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -173.97 104.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.89 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.58 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.6 mm-40 -100.83 -59.64 0.11 Allowed Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.91 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.58 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 94.1 Cg_exo -17.92 -99.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 125.262 3.975 . . . . 0.0 115.706 -166.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.532 ' HG1' ' C ' ' A' ' 45' ' ' PRO . 1.9 p 44.13 28.36 0.26 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -86.98 -57.51 2.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.601 0.715 . . . . 0.0 109.353 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.63 8.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.294 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.529 ' CG ' ' HZ3' ' B' ' 440' ' ' LYS . 15.6 t70 -96.85 104.93 16.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.809 -171.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -115.28 176.32 5.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.55 159.12 44.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HG2' ' OD1' ' A' ' 65' ' ' ASP . 31.7 mtp180 -107.1 137.96 44.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.406 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.702 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.2 tptt -128.81 134.46 48.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.733 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 23.4 ttmm -118.17 130.75 56.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 110.239 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.09 149.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.875 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.3 p -119.86 129.99 74.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.296 0.57 . . . . 0.0 110.754 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 170' ' ' PHE . 95.2 mt -118.96 99.4 6.71 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.415 175.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 75.61 -37.21 0.32 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.02 0.825 . . . . 0.0 112.473 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.87 -102.16 1.62 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.795 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 62' ' ' VAL . 21.3 pt-20 -97.49 153.57 18.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.03 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.705 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 42.1 mt-10 -67.53 109.1 3.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.545 . . . . 0.0 109.902 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 13' ' ' ALA . 89.8 t -105.97 137.49 35.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.031 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -113.41 139.57 48.79 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.518 0.675 . . . . 0.0 111.25 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 17' ' ' VAL . 6.9 tt -123.05 121.48 63.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.796 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.604 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 13.0 m-20 -93.94 130.26 40.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.43 116.26 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.635 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.01 108.52 18.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.89 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -93.91 125.49 38.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -86.57 145.83 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.47 101.51 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.837 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -78.1 68.81 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.575 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -141.48 173.04 11.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.29 5.99 49.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.6 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.443 ' HB2' HD12 ' A' ' 72' ' ' LEU . 4.1 m-20 -87.37 -82.58 0.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.886 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.7 68.38 6.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.216 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.82 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.807 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.507 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.76 -10.43 56.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.408 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.6 mt -98.3 -23.5 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.501 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -92.27 -66.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.071 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.1 -45.24 42.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.51 -171.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 92.0 m-20 -72.92 -17.47 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.82 -174.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -82.28 -15.17 53.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB2' HG21 ' A' ' 114' ' ' VAL . 20.7 m-85 -69.39 -16.69 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -50.9 -58.06 6.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -171.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -105.91 27.06 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.031 0.444 . . . . 0.0 111.45 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.31 123.14 7.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.549 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 30.4 mt-10 -77.47 -72.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.908 0.354 . . . . 0.0 110.237 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.488 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -95.1 138.29 13.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.803 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' HG22 ' A' ' 121' ' ' ILE . 53.9 m-85 -121.88 126.46 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -104.48 111.98 24.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.651 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.2 mp -88.4 107.83 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.731 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.882 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.1 m -106.58 139.65 27.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -154.68 158.31 39.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.564 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.807 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -96.43 147.98 23.26 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.12 10.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.855 -176.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.9 p -114.54 -17.25 11.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.015 0.436 . . . . 0.0 110.984 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.807 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 31.9 mm-40 -95.09 104.46 16.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.715 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -71.64 -35.48 70.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.38 -48.15 81.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.954 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 m -60.93 -35.51 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.67 -42.57 98.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.4 m -73.26 -32.87 64.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.406 . . . . 0.0 110.82 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.05 66.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.032 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.403 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.1 p -55.97 -38.95 71.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.018 0.437 . . . . 0.0 110.474 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.48 87.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.243 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -56.52 -46.31 80.63 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.535 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.2 m-85 -57.8 -51.8 68.1 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -59.83 -43.77 94.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.098 -178.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.49 -43.29 90.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.893 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.76 -31.71 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 0.0 110.764 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.7 mt -59.62 -46.35 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 172.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.709 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -75.41 -3.16 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.871 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -79.25 -36.46 39.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.439 . . . . 0.0 109.825 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.611 HG21 ' HB2' ' A' ' 83' ' ' PHE . 31.0 m -99.07 -34.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 54.9 mtpt -124.29 93.48 3.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.854 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 9.56 23.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 119' ' ' ASP . 72.2 mm-40 -115.49 92.76 4.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HA ' ' HB ' ' A' ' 121' ' ' ILE . 52.6 mt-10 -67.1 14.21 0.05 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.129 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 117' ' ' GLU . 8.9 t70 -60.66 -36.16 78.01 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.232 0.613 . . . . 0.0 111.192 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.974 ' HE3' ' HA ' ' A' ' 180' ' ' LYS . 46.9 mmtm -124.08 39.38 3.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.485 HG22 ' CE2' ' A' ' 89' ' ' PHE . 51.4 mt -128.98 87.84 53.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.278 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.488 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 9.9 Cg_endo -91.3 127.3 1.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.345 2.697 . . . . 0.0 111.327 171.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.51 ' HB2' HG11 ' A' ' 152' ' ' VAL . 5.1 mp -115.16 135.96 53.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 110.855 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.677 HD11 ' HG2' ' A' ' 153' ' ' GLN . 8.7 tp -128.05 117.6 21.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.172 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 117.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.596 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.693 ' HB ' HG11 ' A' ' 92' ' ' VAL . 47.0 t -105.97 109.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.706 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -86.3 97.22 2.2 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.14 175.74 5.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 131' ' ' ASP . 22.0 tptm 62.46 25.76 15.35 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.725 0.64 . . . . 0.0 109.932 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -72.44 29.42 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.941 0.877 . . . . 0.0 110.964 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.3 t70 -91.24 -11.13 39.1 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.447 ' HB2' HD11 ' A' ' 95' ' ' ILE . 26.2 mt -96.22 41.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.201 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.31 -21.28 61.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.622 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.781 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 4.4 pt-20 -90.58 -16.13 29.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.653 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.781 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 85.9 mtt180 -121.89 13.88 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 -173.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.15 114.07 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.906 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -93.4 -28.92 15.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.615 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 95' ' ' ILE . 10.6 p -111.5 122.22 38.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.107 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.601 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 40.6 Cg_exo -58.64 124.87 16.74 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.068 2.512 . . . . 0.0 112.599 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.83 -25.03 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.59 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -64.69 -42.45 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.601 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.3 pt-20 -81.52 -18.03 46.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.568 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.51 68.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.6 mtp180 -62.02 -42.16 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.155 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -57.19 -33.5 67.55 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.219 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.05 -46.01 83.02 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.672 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.89 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.593 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.26 -41.43 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.135 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -68.16 -42.1 80.55 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.56 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -78.02 -22.08 49.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.196 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.19 35.55 14.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.42 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' A' ' 123' ' ' LEU . 27.1 m -123.32 -179.12 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.677 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.2 pm0 -108.07 149.31 28.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.161 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -118.07 121.02 39.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.835 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -125.72 130.3 72.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.9 140.18 30.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.009 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.4 p -126.91 149.71 49.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.146 0.498 . . . . 0.0 110.646 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -133.56 107.78 8.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.959 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.778 ' HB1' HE22 ' A' ' 33' ' ' GLN . . . -78.53 -6.2 54.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.528 178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -65.52 -43.91 88.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 110.325 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -121.01 9.44 10.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.334 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 57.51 59.25 3.37 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 121.414 0.626 . . . . 0.0 111.2 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -109.33 125.4 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.404 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 65.52 17.79 11.05 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.662 0.785 . . . . 0.0 112.041 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 62.1 t -67.08 -51.43 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.577 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.9 -38.16 82.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.66 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.309 -172.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.3 m -57.65 -34.6 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.38 -46.47 32.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' A' ' 57' ' ' LEU . 42.2 m-85 -67.0 -46.25 75.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.505 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.25 -41.13 92.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.7 tp -62.59 -43.85 97.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.381 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.6 -30.69 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.527 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -63.25 -48.8 76.67 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.814 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.71 -36.34 76.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.291 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.7 mt -58.84 -39.24 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -62.52 -51.72 66.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.899 0.38 . . . . 0.0 110.007 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -59.53 -43.04 93.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.223 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.0 -37.38 85.78 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.974 ' HA ' ' HE3' ' A' ' 120' ' ' LYS . 46.6 mtpt -74.41 -44.61 51.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 120.594 0.235 . . . . 0.0 110.997 -177.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.555 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.6 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.191 0.52 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.79 -28.16 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.433 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -58.95 -51.97 67.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.364 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.27 94.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.833 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 394' ' ' THR . 50.6 mm -57.77 -49.88 79.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.692 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.15 -40.19 84.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.2 mt-10 -62.28 -44.04 97.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.604 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 33.8 mt-10 -69.92 -36.18 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.443 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.4 mt -54.48 -52.91 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 173.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.504 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 22.4 mmm180 -61.45 -35.1 76.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.65 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -62.53 -44.2 96.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.5 mm-40 -74.35 -32.77 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -177.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.504 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 47.0 mt-10 -59.3 -44.13 92.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.135 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.66 -49.45 75.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.097 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' B' ' 432' ' ' VAL . 89.0 mt -57.37 -47.61 81.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.042 0.449 . . . . 0.0 110.76 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.86 -48.29 77.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.998 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.1 t30 -60.27 -35.27 75.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.177 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 411' ' ' SER . . . . . 0.427 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 8.7 t -62.88 -55.22 28.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.451 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.92 -35.37 68.96 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.045 0.45 . . . . 0.0 110.598 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 22.0 m170 -61.26 -33.15 73.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.148 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.1 mtm180 -78.05 -52.85 8.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 0.0 111.087 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.46 -51.6 69.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.033 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.685 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.2 mp -69.36 -26.58 64.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 111.312 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.64 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.3 tt0 -63.41 -23.45 67.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.823 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.53 -5.63 78.61 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.385 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.15 -1.73 31.35 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.152 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.4 mt -105.65 115.84 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.707 -0.29 . . . . 0.0 110.586 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 155.83 47.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.084 0.468 . . . . 0.0 110.538 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.526 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.5 t70 -148.31 168.23 23.1 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.76 -39.64 92.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 20.2 m -62.91 -32.65 73.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.708 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.685 ' HB3' HD11 ' B' ' 416' ' ' LEU . 30.9 mmtt -73.0 -52.43 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.84 -45.19 90.62 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -72.79 -34.21 66.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 424' ' ' SER . 17.6 tpt180 -66.45 -35.01 79.23 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.441 HD12 HD23 ' B' ' 416' ' ' LEU . 9.4 mt -56.14 -53.94 51.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.776 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.462 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 65.3 m95 -64.71 -30.9 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.603 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 43.8 mt-10 -64.47 -56.63 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.171 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' B' ' 408' ' ' LEU . 4.0 p -63.61 -33.82 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.285 0.564 . . . . 0.0 110.407 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -55.42 -53.74 52.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.486 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.603 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 0.6 OUTLIER -67.57 -26.69 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.714 -177.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' B' ' 432' ' ' VAL . 64.2 mt -72.65 -41.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.473 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.407 HD11 HG21 ' B' ' 402' ' ' ILE . 51.0 tp -59.23 -45.64 90.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 178.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -73.26 -25.36 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.884 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.54 79.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.544 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.75 -40.23 87.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.549 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.529 ' HZ3' ' CG ' ' A' ' 49' ' ' ASP . 92.8 mttt -56.74 -44.14 81.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.173 0.511 . . . . 0.0 110.405 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -44.92 92.6 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.772 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HB3' HD13 ' B' ' 398' ' ' ILE . 14.5 mmmm -61.06 -36.27 79.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.788 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.438 ' CA ' HG23 ' B' ' 398' ' ' ILE . 56.5 tp -63.25 -47.35 82.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.673 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -81.97 -5.69 58.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -84.48 -37.54 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.299 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.671 -178.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' HG2' ' A' ' 177' ' ' ARG . 1.1 pt? . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.235 0.54 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.4 4.0 50.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.769 0.795 . . . . 0.0 109.783 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.31 136.16 49.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.851 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.408 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 86.9 m-70 -135.35 144.97 46.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -138.86 107.46 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.19 128.21 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.246 -173.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 HG23 ' HE1' ' A' ' 83' ' ' PHE . 53.5 mt -110.1 120.34 60.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.565 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.684 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 53.4 ttm -102.23 121.28 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -99.83 169.93 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.76 -178.97 46.36 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -93.89 13.83 21.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.184 0.516 . . . . 0.0 110.974 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.92 -63.63 0.31 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.485 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.16 -114.5 1.37 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.5 t 69.86 -49.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 123.383 0.673 . . . . 0.0 111.07 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.23 35.5 1.1 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.7 pttp -81.85 -1.17 46.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.887 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -92.04 -8.95 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.154 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.8 -55.86 6.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.29 -35.61 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.822 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -66.71 -47.13 73.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.312 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 HD11 HG12 ' A' ' 40' ' ' VAL . 9.8 tt -65.47 -41.03 93.8 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 50.1 mt-30 -62.4 -33.24 74.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -73.43 -40.92 63.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' A' ' 35' ' ' MET . 70.5 mtp -72.66 -50.03 27.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -173.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 1.22 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.655 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 63.12 19.75 11.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 14.3 pt-20 -135.78 172.93 12.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 110.461 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -76.38 150.46 36.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 109.958 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.558 HG12 HD11 ' A' ' 32' ' ' LEU . 56.9 t -73.01 107.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.719 -175.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -74.54 -50.57 17.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.391 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -160.27 145.77 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.7 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -173.16 110.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.12 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.798 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.3 mt-10 -102.04 -63.43 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.798 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 24.3 Cg_exo -61.42 113.47 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.286 1.991 . . . . 0.0 113.228 -170.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.697 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -158.04 47.61 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.594 175.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' HE3' HD23 ' A' ' 72' ' ' LEU . 13.7 mmmm -87.21 -56.94 3.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.362 0.601 . . . . 0.0 109.666 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.22 18.05 8.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.374 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.697 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.0 m-20 -84.72 88.97 7.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.233 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -96.1 142.09 28.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 28.7 m-85 -134.57 169.81 16.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.115 0.483 . . . . 0.0 111.868 -175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -118.04 150.36 39.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.27 -170.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -135.92 129.79 32.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.621 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -101.79 116.8 33.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.227 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 153.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -124.77 116.54 47.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.396 0.617 . . . . 0.0 110.244 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 97.7 mt -99.41 100.8 11.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.282 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 25.2 t70 76.17 -40.83 0.4 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.777 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.7 -34.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.172 -1.014 . . . . 0.0 113.727 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.59 127.97 34.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 117.397 0.599 . . . . 0.0 110.609 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.28 111.79 12.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.51 141.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.569 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -114.45 127.05 55.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.559 -172.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -126.78 136.72 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.839 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.44 134.51 49.46 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.244 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.16 114.79 47.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.567 0.223 . . . . 0.0 111.339 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD22 HG12 ' A' ' 18' ' ' ILE . 53.8 tp -103.75 103.95 13.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.605 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -92.39 95.01 9.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 p -71.04 145.46 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.201 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 113.69 12.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.78 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.53 78.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.021 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD23 ' HE3' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -155.44 171.17 20.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.611 0.243 . . . . 0.0 110.657 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -93.26 -3.8 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.343 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' HB2' HD13 ' A' ' 72' ' ' LEU . 11.1 m-20 -71.46 -78.47 0.08 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.317 0.58 . . . . 0.0 110.432 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.33 71.51 5.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.262 -175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -22.99 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.088 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.801 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.19 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.795 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 56.8 mt -80.8 -18.42 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.65 0.738 . . . . 0.0 109.848 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -91.84 -63.89 1.19 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.763 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.57 -58.06 3.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.08 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.801 HD21 ' HA ' ' A' ' 77' ' ' ALA . 51.6 m-80 -66.02 -17.37 64.64 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.795 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.88 -13.41 36.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.464 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.2 m-30 -88.31 87.76 7.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' NH2' HD12 ' B' ' 423' ' ' LEU . 35.2 ttp85 -170.39 -49.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.365 166.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 t -66.06 -16.78 64.22 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.19 137.5 14.12 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.628 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -98.42 -42.88 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.166 0.483 . . . . 0.0 112.056 -176.042 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.785 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -82.22 132.37 11.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.702 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.459 ' CE2' ' HE2' ' A' ' 115' ' ' LYS . 97.2 m-85 -124.65 142.88 51.06 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.052 0.453 . . . . 0.0 111.132 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.29 111.03 20.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.084 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.32 106.79 18.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.822 HG11 ' HB ' ' A' ' 126' ' ' VAL . 28.7 m -105.45 137.39 35.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.002 0.43 . . . . 0.0 110.629 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -142.84 151.76 41.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.53 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.813 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 5.9 p -105.93 132.86 51.52 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.567 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 4.31 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.1 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.769 HG22 HD12 ' A' ' 132' ' ' LEU . 24.1 p -94.97 -20.92 18.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.812 0.339 . . . . 0.0 110.732 173.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.813 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 18.5 mm-40 -108.52 103.13 12.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.92 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -72.3 -21.19 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.065 0.459 . . . . 0.0 109.842 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.31 -54.89 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.965 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 p -67.36 -30.75 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 m -78.7 -29.28 45.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.183 0.516 . . . . 0.0 110.719 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.9 64.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.982 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.0 p -56.94 -41.34 78.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.39 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.511 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.19 -41.15 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.325 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -59.2 -47.99 83.27 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.142 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -54.12 -55.02 31.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.908 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.43 -28.79 69.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.867 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.43 -33.92 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 95.2 mt -65.87 -47.53 85.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.801 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.97 -7.71 48.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.49 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -78.86 -47.39 16.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.158 0.504 . . . . 0.0 110.535 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 115' ' ' LYS . 34.3 m -100.37 -8.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.707 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.743 ' HG3' HG22 ' A' ' 114' ' ' VAL . 27.3 mtpp -133.14 106.18 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.403 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.34 11.95 0.72 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.837 0.351 . . . . 0.0 111.229 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -106.5 -9.43 16.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -98.62 -174.25 2.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.27 -66.43 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.786 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -153.11 135.48 15.02 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.518 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.3 mt -99.69 107.07 44.06 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.902 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.785 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 79.0 Cg_endo -86.19 128.62 3.16 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 123.052 2.501 . . . . 0.0 112.642 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.702 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 6.5 mp -118.72 122.85 43.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.658 HD11 ' HG2' ' A' ' 153' ' ' GLN . 12.2 tp -119.82 114.6 22.36 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.9 t -85.58 127.82 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.822 ' HB ' HG11 ' A' ' 92' ' ' VAL . 44.2 t -115.52 118.05 57.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.02 108.62 2.61 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.2 t30 -106.43 156.66 18.3 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 33.8 mmtp 67.62 28.34 7.45 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.657 0.598 . . . . 0.0 110.749 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.6 m -74.06 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.455 0.645 . . . . 0.0 110.29 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.99 20.55 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.769 HD12 HG22 ' A' ' 96' ' ' THR . 0.6 OUTLIER -141.41 46.17 1.72 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.389 179.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.47 -21.9 64.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.856 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.35 -23.73 67.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.325 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -105.54 7.0 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -58.9 115.34 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.55 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -91.92 -30.94 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.654 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.48 122.0 29.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.925 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.85 122.28 10.05 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.248 1.965 . . . . 0.0 111.064 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.6 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -67.86 -8.88 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.275 -175.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.28 -46.48 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.99 -16.94 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.59 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.39 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 52.9 mtm-85 -58.4 -37.52 75.47 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 0.0 110.508 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 t -57.2 -47.06 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.009 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 68.2 mmtt -62.88 -34.42 77.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.535 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -59.0 -47.48 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.19 0.519 . . . . 0.0 110.064 175.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.69 -35.7 79.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.656 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.28 -30.34 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.441 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -91.21 -6.83 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.677 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.52 26.78 62.56 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.174 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.702 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 12.0 m -115.01 -174.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.658 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.0 pm0 -114.12 149.06 36.17 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.272 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.41 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 49.1 t80 -120.22 122.97 42.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.06 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.09 128.57 76.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.628 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.3 131.94 39.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.284 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.0 p -132.25 133.79 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 112.061 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 18.1 m -106.0 88.56 2.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.32 68.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.875 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.11 -36.86 71.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.739 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 p -111.61 8.53 20.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.197 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.482 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 86.4 mtm180 61.8 20.53 11.5 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.485 -177.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.28 116.79 17.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 70.44 7.4 6.2 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.989 0.806 . . . . 0.0 112.181 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.05 -38.43 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 111.669 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.79 -24.7 58.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.57 -47.69 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.075 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.14 -30.75 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.7 -48.11 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.453 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.2 m-85 -69.88 -38.17 76.28 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -51.95 67.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.673 0.273 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.1 tp -66.5 -31.99 73.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.14 -34.18 77.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 13.0 mmt180 -72.04 -37.63 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.531 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.48 -29.44 67.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.333 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 172' ' ' LEU . 34.8 mt -66.09 -27.2 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.565 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.52 ' HG2' HD11 ' A' ' 12' ' ' LEU . 74.5 mtt180 -62.43 -32.65 73.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.891 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.0 m -63.97 -30.34 71.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.631 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 9.6 mptt -68.9 -54.49 15.21 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -71.95 -21.91 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.657 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.801 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.557 ' O ' HG12 ' B' ' 398' ' ' ILE . 31.5 m . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.78 -33.38 71.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.796 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.8 62.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.9 -38.63 95.76 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.851 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.567 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.8 mm -57.66 -48.09 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.565 0.221 . . . . 0.0 110.882 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.4 mttm -57.56 -44.32 85.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.441 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.74 -39.3 87.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.0 mt-10 -62.12 -45.61 92.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.631 0.253 . . . . 0.0 110.516 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' B' ' 439' ' ' LEU . 71.7 mt -55.35 -52.82 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.105 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.3 mtp180 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 20.0 ttm180 -57.5 -49.84 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.261 176.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.9 mm-40 -73.11 -33.62 65.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.684 -176.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 77.2 mt-10 -60.37 -42.45 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.53 -47.05 77.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.795 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.9 mt -62.4 -51.84 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.595 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.401 HD11 HG13 ' B' ' 432' ' ' VAL . 59.8 tp -63.94 -34.44 77.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.119 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.634 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 46.4 t30 -59.38 -50.42 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 175.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 11.6 t -59.24 -51.05 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.003 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -52.24 -53.39 44.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 7.7 p80 -68.63 -28.95 67.36 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.195 -176.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -77.78 -52.93 8.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.93 -45.14 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.975 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.8 mp -63.7 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.276 0.56 . . . . 0.0 110.927 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -68.26 -28.71 67.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.276 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -15.21 75.58 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.701 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.78 -8.52 7.26 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.969 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.1 mt -83.75 115.77 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -139.16 140.6 37.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.722 0.773 . . . . 0.0 111.435 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.698 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.5 t70 -150.81 166.92 29.04 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.456 HD12 ' NH2' ' A' ' 84' ' ' ARG . 2.7 mm? -65.5 -34.55 78.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.029 0.443 . . . . 0.0 110.233 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.664 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.698 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.2 mmtt -69.11 -43.16 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 84' ' ' ARG . 37.6 mt-10 -60.45 -46.19 90.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.551 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.05 -42.9 99.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.132 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.446 ' O ' HG11 ' B' ' 432' ' ' VAL . 11.9 mmt180 -63.64 -41.84 98.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.676 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 429' ' ' LEU . 2.7 mt -55.8 -56.18 23.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 123.325 0.391 . . . . 0.0 110.938 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.721 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 22.3 m95 -64.84 -41.43 95.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.52 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.464 ' O ' HG13 ' B' ' 435' ' ' ILE . 11.5 tp10 -57.67 -56.21 24.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.693 0.283 . . . . 0.0 110.887 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.529 ' HA ' HD13 ' B' ' 435' ' ' ILE . 12.1 p -62.66 -33.41 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.522 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.1 tp60 -54.57 -52.71 61.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.59 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.721 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.14 -35.21 77.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.501 -178.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 432' ' ' VAL . 36.0 mt -64.98 -43.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.205 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.36 -49.54 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.245 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.419 HG22 ' HA ' ' B' ' 434' ' ' ARG . 13.3 t -71.65 -33.95 69.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -68.86 -35.04 76.45 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.104 176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 1.0 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -63.96 -42.74 97.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.21 -29.73 70.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.42 . . . . 0.0 110.06 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.0 tmt_? -67.94 -41.2 82.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 1.0 ' HD3' HD12 ' B' ' 439' ' ' LEU . 53.2 mtpt -57.16 -37.5 72.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.408 ' CA ' HG22 ' B' ' 398' ' ' ILE . 56.3 tp -66.02 -36.77 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.75 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -82.26 -5.28 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.63 -54.64 3.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.418 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.872 -177.256 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.418 HD13 ' HB2' ' A' ' 177' ' ' ARG . 64.7 mt . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.977 0.418 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 12.1 33.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 110.796 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.8 tp -125.29 128.07 47.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.222 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -131.46 148.66 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.068 0.461 . . . . 0.0 111.467 -174.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.88 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.7 tpmt? -124.37 114.82 20.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.52 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t -120.87 120.26 61.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.84 122.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.451 . . . . 0.0 110.733 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.705 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -84.84 117.37 23.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.682 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 92' ' ' VAL . 35.2 m -127.04 170.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.362 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.33 -161.44 28.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.443 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -75.15 92.65 2.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.992 0.425 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 60.46 -102.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.93 52.79 0.44 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG13 ' OE2' ' A' ' 97' ' ' GLU . 28.6 m -54.0 -35.92 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.78 -19.43 0.02 OUTLIER Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.36 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.816 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -61.86 -18.63 60.81 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.26 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.6 t -72.28 -37.81 68.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.7 66.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.249 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.35 -42.19 81.51 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.107 -176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.498 HG22 ' HZ ' ' A' ' 169' ' ' PHE . 45.4 p -71.29 -39.05 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 28' ' ' SER . 82.9 mt -55.67 -40.41 72.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.439 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 52.6 mt-30 -65.93 -32.72 74.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -73.07 -47.48 44.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -81.16 -34.87 32.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.47 -9.75 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.116 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 67.8 7.77 5.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.061 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 11.2 pt-20 -144.55 170.26 16.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.758 0.314 . . . . 0.0 110.72 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -79.07 150.72 31.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.816 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.52 136.69 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.472 . . . . 0.0 111.297 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.65 -39.03 2.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.002 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -134.44 100.49 4.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -171.42 94.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.068 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 mt-10 -84.13 -56.68 0.42 Allowed Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 28.6 Cg_endo -61.38 124.13 14.14 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.45 2.1 . . . . 0.0 112.775 -176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.72 37.39 0.41 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.43 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -85.83 -53.18 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.271 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' B' ' 409' ' ' LEU . . . -124.01 27.05 7.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.632 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -102.52 88.66 3.31 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.351 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -96.24 150.65 20.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -133.04 117.1 17.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.978 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 56.1 ttp180 -78.97 106.91 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -97.35 134.28 40.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -95.36 119.13 33.33 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.833 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.25 145.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.787 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 60' ' ' GLU . 9.9 p -115.99 120.55 65.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.545 0.688 . . . . 0.0 110.04 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD12 ' CZ ' ' A' ' 174' ' ' ARG . 0.4 OUTLIER -120.12 97.33 5.55 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.023 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 59.12 37.84 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.725 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.69 -123.27 0.73 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.787 -1.197 . . . . 0.0 113.955 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 56' ' ' VAL . 11.5 pt-20 -107.06 168.02 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.94 118.7 8.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.18 0.514 . . . . 0.0 110.72 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 60' ' ' GLU . 57.7 t -106.71 147.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.341 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -113.16 118.32 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 110.387 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 tt -120.37 121.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.946 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 24.1 t0 -102.37 119.64 39.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.003 -176.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.52 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 45.7 mm -108.61 124.66 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.068 -173.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.542 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 31.1 tp -107.81 128.57 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.015 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -99.47 101.98 13.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.2 p -78.95 138.63 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.58 108.57 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.245 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.668 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -77.3 77.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.352 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.51 174.53 13.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -97.39 0.04 47.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.431 ' HB2' HD13 ' A' ' 72' ' ' LEU . 19.3 m-20 -79.43 -72.66 0.38 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.5 m-85 -78.98 76.81 5.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.102 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -23.63 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.16 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.08 -15.2 62.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.751 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.633 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.8 mt -96.75 -31.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 110.717 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -91.89 -61.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.76 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -54.14 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.656 -172.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 93.5 m-20 -76.5 -30.64 57.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.633 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -74.66 -24.48 58.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -64.9 -14.97 61.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HG3' ' CD ' ' B' ' 426' ' ' GLU . 2.9 mmt85 -54.53 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.506 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 6.0 m -80.07 15.98 1.35 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.74 0.305 . . . . 0.0 111.457 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.88 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -86.78 135.47 13.27 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.421 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 80.1 mt-10 -97.61 -72.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.893 0.378 . . . . 0.0 110.485 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.437 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -100.21 143.0 16.15 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.361 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.12 129.33 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -103.59 113.44 26.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.563 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD11 HD23 ' A' ' 123' ' ' LEU . 80.6 mt -88.5 107.4 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 27' ' ' LYS . 28.5 m -106.44 147.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.27 0.557 . . . . 0.0 112.239 -174.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -156.65 148.57 22.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.566 ' HB2' ' HB3' ' A' ' 129' ' ' LYS . 98.2 p -84.76 153.17 23.19 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.901 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.6 10.25 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.148 0.499 . . . . 0.0 112.219 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 94' ' ' SER . 3.0 p -119.64 7.56 11.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.212 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' OE2' HG13 ' A' ' 25' ' ' VAL . 42.5 mt-10 -118.81 97.98 5.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -80.05 -27.58 39.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.67 -56.44 15.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.139 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m -62.28 -28.28 69.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.37 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.1 t80 -62.45 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -75.53 -28.08 58.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.211 0.529 . . . . 0.0 110.488 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -14.57 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.053 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.507 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 33.8 p -55.56 -38.38 69.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.604 0.24 . . . . 0.0 111.621 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.19 87.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.77 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.66 -46.51 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.953 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.513 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.8 m-85 -61.25 -48.05 83.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.762 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.81 -54.94 27.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.514 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.28 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.805 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.62 -30.35 65.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.5 mt -64.79 -42.34 94.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.975 0.416 . . . . 0.0 110.51 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.04 -26.7 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.21 -40.83 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.755 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.71 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.6 m -96.44 -0.71 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.71 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -129.74 -73.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.669 0.271 . . . . 0.0 111.061 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.526 ' HB2' ' OE2' ' A' ' 117' ' ' GLU . . . 60.86 -88.3 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.831 0.853 . . . . 0.0 113.145 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.526 ' OE2' ' HB2' ' A' ' 116' ' ' ALA . 1.7 pm0 -79.7 62.73 4.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.58 0.705 . . . . 0.0 112.068 -174.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' A' ' 115' ' ' LYS . 11.4 mm-40 -95.78 -163.07 1.01 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.501 174.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.04 -84.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.94 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 30.6 mmmt -149.05 113.85 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.09 108.31 12.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.931 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 49.6 Cg_endo -91.19 117.02 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.012 2.475 . . . . 0.0 112.512 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 91' ' ' LEU . 6.2 mp -102.8 151.82 21.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.056 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.692 HD11 ' HG3' ' A' ' 153' ' ' GLN . 2.6 tp -145.04 117.52 8.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.9 t -84.44 118.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.702 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.6 t -110.22 110.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.745 -175.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.45 104.43 2.72 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' A' ' 94' ' ' SER . 8.6 p30 -102.74 177.79 4.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.74 0.305 . . . . 0.0 111.201 -174.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 19.2 tptm 65.63 25.26 11.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.79 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -70.24 0.9 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.92 -15.41 63.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.539 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 135' ' ' ARG . 71.0 mt -77.4 -53.04 8.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 65.01 -76.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.362 0.665 . . . . 0.0 112.18 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . 24.3 ttm180 -94.9 8.92 41.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 120.929 0.395 . . . . 0.0 110.3 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -53.28 118.89 4.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.021 -175.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 33.5 tt0 -94.28 -35.48 12.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.46 118.07 37.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.45 133.04 35.59 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.213 1.942 . . . . 0.0 111.893 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 144' ' ' ARG . 19.2 t -57.08 -20.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.223 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.06 -52.86 61.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.34 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.92 -24.75 55.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.815 0.34 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.475 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -69.39 -47.27 64.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' HG13 ' A' ' 140' ' ' VAL . 69.3 mtp180 -63.05 -35.44 80.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.508 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -63.91 -40.67 97.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.89 -46.55 74.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 152' ' ' VAL . . . -58.15 -42.37 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.46 -41.11 98.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.86 -33.72 76.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -81.51 -8.19 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.338 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.46 23.29 56.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.285 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 147' ' ' ALA . 35.5 m -120.43 -179.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.589 0.233 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.692 ' HG3' HD11 ' A' ' 124' ' ' LEU . 11.6 pt20 -106.83 156.33 18.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.22 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.476 ' HE2' HG12 ' A' ' 140' ' ' VAL . 83.3 t80 -121.54 124.09 43.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.955 175.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.38 135.6 61.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.072 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.99 149.3 25.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.317 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 7.1 p -136.38 134.49 37.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.378 0.609 . . . . 0.0 111.622 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.2 m -112.93 129.2 56.56 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.11 -35.09 9.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.667 0.27 . . . . 0.0 111.438 -172.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.09 -26.47 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.298 0.57 . . . . 0.0 110.144 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.5 p -109.11 -13.45 14.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.293 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? 60.74 83.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.777 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.79 25.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.581 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 70.68 3.24 4.47 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.004 0.815 . . . . 0.0 112.088 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.06 -40.69 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.312 0.577 . . . . 0.0 109.904 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 -44.17 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.331 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -56.43 -52.7 63.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.772 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -55.89 -30.83 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.498 ' HZ ' HG22 ' A' ' 31' ' ' THR . 61.1 m-85 -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.545 176.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.482 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 51.8 m-85 -59.95 -39.6 86.12 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.055 0.222 . . . . 0.0 111.559 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -56.89 -51.51 68.82 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.72 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.534 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -65.07 -40.32 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.231 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.4 mtp -59.87 -31.55 69.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.221 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.662 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 29.6 mmt180 -72.64 -45.07 60.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.81 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 9.0 mm-40 -57.98 -37.76 74.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 175.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.8 mt -55.81 -43.65 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.991 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 36.2 ptt180 -66.49 -36.73 83.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.41 -41.94 79.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.94 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 64.9 mmtt -61.63 -41.75 97.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.981 0.419 . . . . 0.0 110.731 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.15 -29.01 68.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.844 177.77 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.587 HG21 ' HB1' ' B' ' 446' ' ' ALA . 8.8 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -58.99 -28.83 66.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.776 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.01 -55.23 35.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.53 -37.92 78.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.54 ' O ' HG13 ' B' ' 402' ' ' ILE . 22.2 mm -54.54 -51.37 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.51 -32.85 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.536 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.13 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 110.91 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 23.8 mt-10 -78.18 -34.97 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.685 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.684 HG12 ' HB3' ' B' ' 439' ' ' LEU . 69.6 mt -57.28 -54.17 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.256 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -64.29 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.576 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.2 ttm180 -58.47 -48.22 81.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.788 173.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.511 ' OE1' HG22 ' B' ' 432' ' ' VAL . 69.9 mm-40 -75.27 -30.32 60.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.631 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 45.2 mt-10 -59.55 -45.28 92.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.31 -48.29 65.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.2 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 80.7 mt -60.03 -51.99 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.969 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.714 HD23 HG12 ' B' ' 432' ' ' VAL . 3.3 tm? -64.13 -34.78 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.644 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 61.2 t30 -64.07 -45.62 87.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.344 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.8 t -59.13 -51.95 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.411 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.526 HD21 ' O ' ' B' ' 408' ' ' LEU . 2.8 mm? -52.86 -34.7 55.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.919 0.39 . . . . 0.0 111.016 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -72.81 -39.68 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 18.9 mtm180 -76.72 -54.08 7.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.438 0.637 . . . . 0.0 110.785 -176.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.95 -40.25 87.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.987 -168.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.474 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -72.45 -23.91 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.42 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 3.8 mt-30 -54.23 -30.44 50.09 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.851 0.46 . . . . 0.0 111.778 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.15 2.42 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.157 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.02 37.42 83.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.438 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.8 mt -119.06 133.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.413 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -157.6 145.03 18.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.612 . . . . 0.0 110.676 172.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.625 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.79 158.91 44.49 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 176.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.045 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.19 -36.72 85.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 0.0 110.297 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.625 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 34.2 mmtt -72.51 -46.25 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.035 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 62.7 mt-10 -59.82 -47.49 85.48 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.086 -175.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.35 -48.3 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.699 ' O ' HG13 ' B' ' 432' ' ' VAL . 25.9 mmt180 -60.76 -39.89 90.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.086 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -54.82 -54.56 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.576 0.547 . . . . 0.0 110.914 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.542 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 52.0 m95 -70.93 -31.83 68.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.603 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 37.9 tt0 -65.01 -56.44 13.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.446 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.714 HG12 HD23 ' B' ' 409' ' ' LEU . 5.6 p -62.76 -33.91 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.241 0.543 . . . . 0.0 110.233 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -55.49 -53.3 58.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.035 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -71.0 -26.84 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.109 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' B' ' 432' ' ' VAL . 53.5 mt -70.38 -45.21 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' B' ' 405' ' ' GLN . 18.1 tp -60.35 -43.59 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 111.379 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.51 HG21 ' HA ' ' B' ' 434' ' ' ARG . 15.0 t -68.99 -33.29 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.591 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.39 -40.18 85.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.684 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -59.14 -43.13 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.262 178.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.54 -41.31 89.79 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.337 0.589 . . . . 0.0 110.164 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -66.03 -44.03 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.602 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -61.04 -32.72 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.894 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' B' ' 402' ' ' ILE . 62.2 tp -63.28 -48.04 79.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -79.39 -7.29 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.01 0.433 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.7 -26.6 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.988 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.587 ' HB1' HG21 ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.219 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' HD3' ' A' ' 180' ' ' LYS . 91.7 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.51 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -90.1 6.33 42.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.043 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 tp -134.92 133.76 39.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.281 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -135.98 131.32 34.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.0 tpmt? -101.81 107.44 18.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.085 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -122.51 129.66 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.273 0.559 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.14 127.14 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 49.7 ttm -97.16 127.17 42.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 91' ' ' LEU . 25.5 m -93.55 176.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.836 0.351 . . . . 0.0 111.23 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA3' ' HD2' ' A' ' 27' ' ' LYS . . . 143.21 -179.25 20.87 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 1.033 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 21.6 m -133.83 -65.02 0.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.876 0.338 . . . . 0.0 110.856 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.05 -97.02 1.13 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.621 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.78 -85.52 1.85 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.406 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t 71.33 -52.58 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.508 0.723 . . . . 0.0 111.637 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.1 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -76.73 4.89 8.6 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -121.95 -33.63 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.939 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.22 70.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.384 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.31 -41.9 93.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.326 0.584 . . . . 0.0 110.859 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.57 HG23 HG23 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -62.75 -38.38 90.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.364 -173.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 40' ' ' VAL . 28.1 tp -68.64 -30.96 69.78 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.005 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.693 HE22 ' HA ' ' A' ' 39' ' ' PHE . 71.0 mm-40 -63.58 -40.84 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 110.1 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -70.2 -27.81 64.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.298 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtm -97.86 -53.12 3.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.898 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.23 -21.47 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 66.9 29.61 8.16 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.942 0.877 . . . . 0.0 109.283 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -127.06 148.34 50.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.879 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.693 ' HA ' HE22 ' A' ' 33' ' ' GLN . 67.6 t80 -81.6 149.47 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG12 ' HB3' ' A' ' 43' ' ' TYR . 24.0 t -75.17 100.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 111.338 -175.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -98.18 -38.2 9.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -151.71 86.92 1.34 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.469 ' HB3' HG12 ' A' ' 40' ' ' VAL . 82.7 t80 -160.93 105.95 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -95.75 -64.3 0.11 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.393 176.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.566 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 22.7 Cg_exo -24.5 84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.607 0 C-N-CA 125.113 3.875 . . . . 0.0 115.269 -167.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.568 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 11.7 p -148.42 22.81 1.04 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.262 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -85.44 -58.48 2.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.246 0.546 . . . . 0.0 110.501 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -126.4 -20.5 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.973 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -97.59 162.73 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.1 t -135.99 169.46 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.994 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.72 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 11.9 t80 -136.19 123.24 21.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -75.36 132.7 41.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -117.4 130.2 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.322 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -100.55 130.27 46.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.01 146.98 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 0.0 110.459 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 60' ' ' GLU . 8.5 p -124.64 135.97 62.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -134.51 97.96 3.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.824 0.345 . . . . 0.0 110.266 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 52.09 34.87 15.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.444 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.45 -122.82 0.66 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.992 -1.099 . . . . 0.0 113.869 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.0 pt-20 -102.37 156.15 17.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -173.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 117.13 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.235 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 13' ' ' ALA . 6.7 t -107.44 144.45 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.527 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.6 125.27 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.371 0.605 . . . . 0.0 109.92 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -122.02 149.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.633 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -124.37 117.1 23.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.319 -176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG23 HG23 ' A' ' 31' ' ' THR . 4.4 mm -108.07 112.91 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.584 0.231 . . . . 0.0 110.775 -174.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.572 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 25.5 tp -95.7 128.05 42.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.446 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.568 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 32.5 t0 -92.2 -174.91 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -149.44 139.11 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.512 -0.742 . . . . 0.0 112.719 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.462 ' H ' HG23 ' A' ' 78' ' ' ILE . . . -85.02 100.49 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 163.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 1.033 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -75.48 76.14 1.34 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.92 -174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.14 171.05 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.697 0.284 . . . . 0.0 110.626 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.33 -29.53 22.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.12 -68.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.052 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.551 ' H ' HD12 ' A' ' 72' ' ' LEU . 32.7 m-85 -86.69 76.3 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.538 -175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.91 -18.99 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.789 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.47 -7.15 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.054 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.49 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 38.5 mt -102.87 -43.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.622 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -91.35 -63.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.942 0.401 . . . . 0.0 110.619 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -67.14 -49.51 64.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.409 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.688 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 46.1 m-80 -72.77 -35.21 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -74.6 -36.6 62.99 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -58.03 -25.64 61.41 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.734 0.302 . . . . 0.0 111.593 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -48.88 -56.97 7.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.287 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.8 t -96.88 24.57 6.03 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.169 0.509 . . . . 0.0 111.15 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.686 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.58 141.2 15.44 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.332 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.7 mt-10 -89.39 -75.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.411 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -104.06 146.07 16.23 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.328 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.39 129.31 51.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.294 0.568 . . . . 0.0 111.256 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.06 102.58 14.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.792 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.476 ' HA ' HG22 ' A' ' 20' ' ' VAL . 81.9 mt -78.94 105.07 10.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.771 HG13 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -111.62 134.41 54.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.119 0.485 . . . . 0.0 111.1 -177.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -145.38 163.74 33.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.311 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 129' ' ' LYS . 5.6 p -105.05 139.39 39.81 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.297 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.56 11.19 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.79 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.425 ' CG2' HD21 ' A' ' 132' ' ' LEU . 29.7 p -103.49 -50.04 3.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.074 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.55 99.31 10.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -61.23 -25.85 67.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.583 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -33.09 71.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.999 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 m -68.86 -36.57 78.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.053 0.454 . . . . 0.0 110.212 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.57 -38.2 86.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 m -65.92 -37.23 85.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.09 -14.75 61.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.7 p -57.14 -39.5 75.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 111.417 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.42 -39.8 85.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.477 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.34 -44.45 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.86 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.546 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.3 m-85 -57.58 -51.15 70.68 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.391 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -59.24 -53.75 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.42 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.11 -31.14 72.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.636 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.37 -33.3 71.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.41 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.6 mt -64.8 -43.07 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.853 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.49 -17.48 61.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -72.47 -36.03 68.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.908 0.385 . . . . 0.0 110.551 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.848 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.5 m -98.09 -6.82 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.446 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.848 ' HG3' HG23 ' A' ' 114' ' ' VAL . 25.0 mtpp -137.51 -140.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.97 6.15 5.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 112.832 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -112.57 16.19 19.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.653 0.74 . . . . 0.0 109.567 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.18 -155.75 0.58 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.514 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.15 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.228 0.467 . . . . 0.0 111.566 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 120' ' ' LYS . 12.8 mmmm -145.04 148.14 33.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.142 0.496 . . . . 0.0 111.085 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.9 mt -113.62 109.76 50.43 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.372 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.9 Cg_endo -85.66 127.81 3.27 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.962 2.441 . . . . 0.0 112.327 174.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.429 HD23 HD13 ' A' ' 91' ' ' LEU . 4.8 mp -123.28 122.64 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.619 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.661 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.0 tp -113.25 122.96 49.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.91 121.83 42.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.144 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.771 ' HB ' HG13 ' A' ' 92' ' ' VAL . 48.4 t -117.12 130.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.592 -176.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.19 119.94 6.35 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.137 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 61.5 t30 -105.27 166.98 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.6 mptm? 81.22 14.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.098 0.959 . . . . 0.0 111.338 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m -72.05 -3.81 25.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.87 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 3.1 p30 -86.43 -1.87 57.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.915 HD23 ' HB2' ' A' ' 135' ' ' ARG . 3.5 tp -98.58 -60.73 1.49 Allowed 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 38.3 tt0 69.87 -48.64 0.62 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.845 0.858 . . . . 0.0 112.473 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.59 ' HG2' ' HG3' ' A' ' 135' ' ' ARG . 3.3 tt0 -55.41 -48.14 74.84 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.508 0.723 . . . . 0.0 111.971 -173.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.915 ' HB2' HD23 ' A' ' 132' ' ' LEU . 66.7 mtt180 -103.08 33.51 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -175.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -64.59 113.97 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.959 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -91.42 -12.27 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.773 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.85 118.92 11.42 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.481 . . . . 0.0 110.446 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.06 135.9 53.59 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.921 2.414 . . . . 0.0 112.552 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -63.09 -21.87 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.86 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.66 -56.03 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.11 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.74 -22.91 49.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.998 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 140' ' ' VAL . . . -66.37 -39.63 89.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtp180 -67.42 -32.39 73.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.36 0.6 . . . . 0.0 110.381 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 24.6 t -75.72 -19.39 59.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.076 -176.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HA ' ' OE2' ' A' ' 149' ' ' GLU . 12.1 tppt? -72.91 -41.51 64.51 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.766 175.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.75 74.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.051 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 145' ' ' SER . 33.9 tt0 -60.65 -38.18 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.795 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.482 ' OE2' ' HA ' ' A' ' 146' ' ' LYS . 47.2 mt-10 -57.8 -42.0 83.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -90.84 -15.34 30.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.172 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.91 32.83 43.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.951 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.85 -174.93 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-O 120.569 0.223 . . . . 0.0 110.816 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.661 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -104.33 147.33 27.63 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.802 178.408 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -127.17 120.29 28.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.153 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.75 136.24 60.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.28 147.26 26.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.761 0.315 . . . . 0.0 110.47 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 11.0 p -130.89 148.01 52.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.435 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.87 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.1 m -138.25 100.26 4.08 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.22 -25.9 66.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.612 -173.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.54 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.449 HG21 ' HB3' ' A' ' 163' ' ' ALA . 13.5 t -119.96 8.66 11.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.142 0.496 . . . . 0.0 110.365 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 60.59 30.07 19.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.794 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.449 ' HB3' HG21 ' A' ' 161' ' ' THR . . . -77.19 117.15 18.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.432 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.8 13.36 8.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.187 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.08 -49.84 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.858 0.361 . . . . 0.0 110.643 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -76.91 -26.95 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.66 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.964 -175.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.13 -25.67 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -72.66 -56.21 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.46 -37.4 83.48 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.593 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -46.53 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.396 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 176' ' ' ILE . 43.6 tp -69.76 -36.56 75.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.443 ' SD ' HD11 ' A' ' 64' ' ' ILE . 66.8 mtp -58.94 -32.44 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.297 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -72.66 -42.37 64.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.117 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.425 ' HB3' ' HZ3' ' A' ' 179' ' ' LYS . 8.8 mt-10 -59.98 -35.61 75.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.57 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 75.5 mt -56.4 -33.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -60.46 -51.49 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.283 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.3 m -55.4 -47.44 75.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.231 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.425 ' HZ3' ' HB3' ' A' ' 175' ' ' GLU . 2.0 mppt? -69.88 -47.25 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.58 ' HD3' HD23 ' A' ' 12' ' ' LEU . 10.2 tttp -61.29 -34.95 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 94.9 mtp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.925 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.497 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.7 m . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 120.599 0.238 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.29 -31.76 72.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.91 41.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.58 -37.75 95.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.095 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' B' ' 443' ' ' LEU . 33.6 mm -55.94 -53.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.504 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 65.2 mttm -59.52 -40.07 85.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.369 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.93 -40.03 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.0 mt-10 -74.87 -31.57 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.074 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.573 HG12 ' HB3' ' B' ' 439' ' ' LEU . 80.6 mt -56.3 -50.02 73.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 76.6 mtp180 -55.4 -42.66 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.4 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.403 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 20.0 ttm180 -60.3 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.293 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.477 ' HB2' HD13 ' B' ' 436' ' ' LEU . 74.5 mm-40 -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -173.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.433 ' OE2' HD22 ' B' ' 436' ' ' LEU . 3.8 mm-40 -59.62 -37.95 80.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.796 0.331 . . . . 0.0 110.406 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -67.55 -48.51 66.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.038 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.414 ' HB2' HG22 ' B' ' 432' ' ' VAL . 7.0 mp -56.36 -48.59 76.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.486 0.184 . . . . 0.0 111.44 175.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 409' ' ' LEU . 1.8 tm? -55.78 -48.72 74.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 109.714 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.85 -48.26 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.269 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.6 t -62.01 -53.2 58.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' B' ' 428' ' ' ARG . 37.0 mt -54.0 -35.25 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.52 ' CD2' HD23 ' B' ' 429' ' ' LEU . 4.1 m-70 -66.44 -46.21 77.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.049 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -74.13 -33.6 63.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.601 0.239 . . . . 0.0 111.44 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.167 0.508 . . . . 0.0 110.348 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' B' ' 425' ' ' LYS . 3.6 mp -74.3 -27.16 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.284 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -27.96 55.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.84 -14.09 82.48 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.09 -0.505 . . . . 0.0 113.138 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.02 2.3 39.15 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.102 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.09 121.42 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.581 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 19.3 pttp -130.26 142.99 50.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.126 0.965 . . . . 0.0 112.912 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.4 t70 -149.14 163.99 36.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.778 -1.555 . . . . 0.0 106.886 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.77 -28.41 67.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.344 0.593 . . . . 0.0 109.781 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 13.0 m -63.26 -42.49 99.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.4 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.728 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -72.75 -37.17 67.78 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.728 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -73.6 -38.0 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.41 -37.25 77.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.346 0.593 . . . . 0.0 109.559 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.631 ' HG3' HD13 ' B' ' 412' ' ' LEU . 14.0 tpp180 -68.02 -37.88 81.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.694 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' B' ' 413' ' ' HIS . 0.5 OUTLIER -56.86 -50.86 71.18 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.732 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 70.1 m95 -68.13 -32.89 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.504 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.643 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -63.02 -55.89 21.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.07 0.231 . . . . 0.0 111.024 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.57 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.4 p -60.91 -34.03 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 109.897 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.468 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.2 tp60 -55.92 -53.67 54.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.5 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.732 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.3 OUTLIER -70.73 -27.35 63.9 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.062 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' B' ' 432' ' ' VAL . 61.6 mt -67.62 -48.25 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.672 ' HG ' ' HE3' ' B' ' 440' ' ' LYS . 28.7 tp -62.15 -45.92 91.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.67 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.72 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.2 t -67.51 -34.53 77.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.636 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.92 -37.58 75.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.169 175.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.573 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -56.44 -47.62 78.73 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.406 176.227 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.672 ' HE3' ' HG ' ' B' ' 436' ' ' LEU . 92.9 mttt -66.01 -34.93 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.935 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -64.17 -44.99 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -60.51 -32.46 71.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.068 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.507 ' HA ' HG22 ' B' ' 398' ' ' ILE . 58.6 tp -61.2 -48.61 80.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.915 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -77.6 -11.34 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.48 -30.71 23.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.049 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.841 -179.782 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD11 ' HE3' ' A' ' 181' ' ' MET . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.216 0.531 . . . . 0.0 110.488 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.13 16.56 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.518 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.769 HD23 HH22 ' B' ' 434' ' ' ARG . 57.4 tp -119.91 116.67 26.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.197 176.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.465 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 22.7 m-70 -127.94 152.3 48.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -122.43 124.31 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.844 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.19 110.06 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.003 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' CE1' ' A' ' 89' ' ' PHE . 64.9 mt -96.89 128.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 52.5 tpp -83.53 103.36 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 HD21 ' A' ' 91' ' ' LEU . 6.0 m -95.72 110.69 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.844 0.83 . . . . 0.0 111.988 -172.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA3' ' HD3' ' A' ' 27' ' ' LYS . . . -168.53 163.53 37.25 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.296 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.801 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 16.2 m -104.13 9.79 36.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 117.533 0.667 . . . . 0.0 110.398 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -153.04 17.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.0 3.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.043 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 93' ' ' PHE . 20.4 m -81.79 -37.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.99 -63.08 0.56 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.028 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' HA3' ' A' ' 21' ' ' GLY . 43.4 mtmt 71.86 -53.8 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.947 1.299 . . . . 0.0 111.352 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -75.64 -20.73 58.29 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.532 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.49 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.64 -41.61 60.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.442 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB ' ' A' ' 40' ' ' VAL . 84.7 mt -58.25 -27.61 64.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.88 HE22 ' HA ' ' A' ' 39' ' ' PHE . 64.2 mm-40 -66.95 -38.13 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.64 0.733 . . . . 0.0 109.786 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.43 -17.94 61.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.246 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.42 -44.1 3.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -105.73 -4.42 20.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 73.38 -37.78 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.754 0.659 . . . . 0.0 112.497 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -97.44 165.2 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.322 0.582 . . . . 0.0 111.62 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.88 ' HA ' HE22 ' A' ' 33' ' ' GLN . 26.0 t80 -76.34 150.81 36.82 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.349 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.522 ' HB ' HD13 ' A' ' 32' ' ' LEU . 3.3 p -76.9 126.35 37.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.947 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -85.6 -51.03 6.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -158.2 129.55 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -171.99 91.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.663 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.9 mt-10 -81.03 -55.95 0.64 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.7 Cg_exo -60.54 111.34 1.0 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.171 1.914 . . . . 0.0 112.663 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 30.01 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -78.82 -56.11 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.583 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.49 15.99 24.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.576 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.21 115.98 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.9 t -143.35 137.76 28.98 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.257 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -124.46 125.93 45.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.216 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -95.35 105.54 17.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -97.82 137.83 36.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.914 -171.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -98.62 120.03 38.34 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.914 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.96 144.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 p -115.75 106.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.726 0.774 . . . . 0.0 110.151 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.479 HD23 ' CE1' ' A' ' 170' ' ' PHE . 86.8 mt -93.0 99.59 12.18 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.105 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 74.14 -32.69 0.24 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.491 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.24 -52.3 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.23 -1.462 . . . . 0.0 114.772 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.85 140.81 29.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.996 0.898 . . . . 0.0 111.745 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.33 111.07 9.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.22 140.65 23.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.334 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.46 128.05 56.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -122.87 124.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.804 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.59 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 36.8 m-20 -87.24 120.31 28.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.12 128.48 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.888 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 82' ' ' TYR . 21.2 tp -132.67 140.55 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.615 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -92.12 -41.42 10.49 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.331 0.253 . . . . 0.0 111.595 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.538 ' HA ' HG23 ' A' ' 78' ' ' ILE . 32.6 p 65.66 152.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.621 1.168 . . . . 0.0 112.268 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -98.37 131.09 44.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.801 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -95.55 65.45 1.24 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.067 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -159.28 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.47 -20.22 61.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.551 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' HD12 ' A' ' 72' ' ' LEU . 5.0 m-20 -58.4 -47.89 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.2 m-85 -117.65 65.87 0.74 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.56 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.74 67.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.726 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -70.49 -12.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.049 0.452 . . . . 0.0 111.08 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.538 HG23 ' HA ' ' A' ' 69' ' ' THR . 16.6 mt -98.48 -28.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 26.1 tpt180 -92.55 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.79 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.29 -48.35 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.43 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.726 HD21 ' HA ' ' A' ' 77' ' ' ALA . 91.6 m-20 -69.43 -15.7 63.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.492 -171.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.484 ' CD2' HD23 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -89.47 -3.58 58.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.808 -0.557 . . . . 0.0 112.048 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -76.22 -27.2 56.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -59.4 -55.34 35.99 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.632 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 31.4 m -80.9 36.59 0.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 111.292 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.29 118.9 3.8 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.867 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 34.2 mt-10 -81.17 -63.43 1.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.27 148.14 17.06 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.461 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CE1' HD13 ' A' ' 18' ' ' ILE . 97.9 m-85 -129.87 123.15 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.274 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.77 127.37 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 20' ' ' VAL . 72.4 mt -100.12 106.54 18.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.513 177.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.638 HG13 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -117.68 129.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.002 0.43 . . . . 0.0 110.657 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.51 ' HA ' HG13 ' A' ' 25' ' ' VAL . 25.1 p90 -144.96 157.3 44.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.194 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.408 ' OG ' HG12 ' A' ' 25' ' ' VAL . 7.7 p -94.75 132.49 39.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.99 177.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.94 15.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.133 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.674 HG22 HD12 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -103.61 -14.61 16.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.95 174.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -114.36 100.8 8.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.514 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.432 ' HA ' HG23 ' A' ' 138' ' ' VAL . 26.4 t-80 -65.45 -23.43 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.33 -46.38 83.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.139 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -63.61 -34.21 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.617 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.52 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 65.4 t80 -64.88 -48.52 73.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -28.32 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.675 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.25 -15.64 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.326 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.59 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.9 p -59.09 -33.4 70.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 111.257 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.57 81.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.118 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.581 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -57.71 -51.36 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.653 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -68.04 -49.87 58.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.1 mt-10 -63.77 -37.33 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.044 -174.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.03 -30.51 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 0.0 110.427 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.6 mt -63.26 -48.55 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.099 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.33 -21.14 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.533 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 28.1 mmm180 -66.66 -30.35 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.475 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.66 -3.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.059 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -122.5 -142.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.826 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.43 23.06 2.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.424 0.69 . . . . 0.0 111.72 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.55 -13.94 12.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.219 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -86.06 -170.43 3.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.991 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -68.21 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.929 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 25.0 mmtm -153.38 127.61 9.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 111.122 -175.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.5 mt -94.52 106.78 25.77 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.116 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 74.1 Cg_endo -87.76 133.6 3.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.981 2.454 . . . . 0.0 112.259 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.3 131.4 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.265 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.684 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -116.35 120.85 40.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.576 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.7 t -86.96 117.78 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.05 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.638 ' HB ' HG13 ' A' ' 92' ' ' VAL . 26.4 t -108.54 118.28 55.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.089 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.88 94.79 1.68 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.594 HD22 ' HB2' ' A' ' 159' ' ' ALA . 3.7 t-20 -93.77 163.15 13.64 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -176.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.7 mptm? 71.81 24.05 3.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -70.92 1.01 6.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.371 0.605 . . . . 0.0 110.236 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -22.15 64.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.718 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.674 HD12 HG22 ' A' ' 96' ' ' THR . 31.3 mt -75.83 -56.63 4.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.149 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 67.91 -71.6 0.11 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.779 0.674 . . . . 0.0 112.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.31 -30.6 71.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.509 ' O ' HG21 ' A' ' 96' ' ' THR . 62.5 mtp180 -89.05 11.67 17.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -57.81 114.14 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 111.482 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 34.9 tt0 -95.75 -30.45 13.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 98' ' ' HIS . 85.0 t -88.05 111.94 46.04 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.275 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 39.2 Cg_exo -60.26 114.28 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.107 1.871 . . . . 0.0 110.877 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.91 -25.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.778 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.59 -51.67 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.638 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.58 -30.3 46.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.52 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -58.55 -51.13 71.19 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.977 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -69.29 -36.19 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 15.8 t -62.86 -25.41 68.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.512 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 42.8 mmtt -70.84 -37.5 73.15 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.975 -0.453 . . . . 0.0 111.057 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.17 93.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.555 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 145' ' ' SER . 27.1 tt0 -59.12 -46.08 89.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.805 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.95 -44.39 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -85.74 -13.16 49.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.447 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.11 39.31 20.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.153 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.4 m -127.61 -173.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.684 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -106.86 157.7 17.56 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.17 0.51 . . . . 0.0 111.086 178.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -129.39 114.88 16.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.638 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.87 125.38 70.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.04 128.44 34.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.0 p -127.8 135.75 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.404 0.621 . . . . 0.0 112.661 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 38.4 t -95.88 114.69 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.758 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.594 ' HB2' HD22 ' A' ' 128' ' ' ASN . . . -84.87 -13.74 50.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -78.41 -33.62 48.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 110.103 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.4 p -95.8 -10.39 29.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.733 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 62.18 37.0 14.66 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.416 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.63 130.14 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.474 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 62.19 16.23 8.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.686 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 168' ' ' VAL . 78.1 t -71.28 -40.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.171 0.51 . . . . 0.0 110.026 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.26 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.2 -50.83 71.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.025 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 165' ' ' VAL . 22.4 m -60.97 -28.04 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -76.09 -50.1 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 18.6 m-85 -65.56 -48.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.7 -177.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -44.13 92.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.612 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 176' ' ' ILE . 32.5 tp -63.14 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 0.0 110.238 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.413 ' SD ' HD13 ' A' ' 64' ' ' ILE . 72.5 mtm -66.33 -31.21 71.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 14.0 mmt180 -67.31 -41.96 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.492 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.17 -36.6 80.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.404 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.597 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 74.9 mt -61.68 -36.54 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 12.6 mtt180 -52.66 -43.1 65.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.183 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -55.0 -43.01 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.548 0.53 . . . . 0.0 111.847 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.445 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -73.04 -34.01 66.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.727 0.299 . . . . 0.0 110.782 -178.269 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 28.4 mmmt -64.93 -45.23 86.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.061 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.477 ' HE3' HD11 ' A' ' 12' ' ' LEU . 58.1 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.242 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.429 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.5 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -62.58 -35.88 80.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.961 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.55 -50.28 73.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.313 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.21 -39.16 97.31 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.953 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.523 ' O ' HG13 ' B' ' 402' ' ' ILE . 37.9 mm -58.98 -47.99 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.97 -36.55 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.7 mt-10 -62.1 -45.13 94.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 110.178 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.574 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 6.6 tp10 -67.46 -39.14 85.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.9 mt -57.91 -43.83 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -56.62 -42.35 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.976 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.574 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 30.1 ttm180 -63.1 -45.36 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.627 HE21 HG21 ' B' ' 432' ' ' VAL . 14.9 mm100 -74.61 -37.2 62.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.993 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.496 ' HG2' HD23 ' B' ' 436' ' ' LEU . 70.1 mt-10 -65.45 -35.42 80.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.102 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.96 -50.27 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.506 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.561 ' HB2' HG23 ' B' ' 432' ' ' VAL . 85.1 mt -57.68 -47.69 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.426 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.8 -49.05 76.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.195 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -60.25 -50.6 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.172 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 38.5 m -61.01 -46.02 92.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 53.0 mt -60.0 -44.05 94.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 0.0 110.733 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.9 m170 -59.84 -48.97 79.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.031 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 414' ' ' ARG . 40.0 mtp180 -67.34 -36.25 81.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.662 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.08 -45.74 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.533 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.807 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 33.8 mt -75.15 -34.35 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.122 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 3.4 mt-30 -68.05 -9.84 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.32 -12.44 83.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.905 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.43 -1.52 25.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.619 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.807 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 38.7 mt -108.74 143.33 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.542 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 45.3 pttt -155.4 169.05 25.14 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.583 0.706 . . . . 0.0 110.962 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.576 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 26.8 t70 -147.63 170.07 18.3 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.14 -33.94 75.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.118 0.485 . . . . 0.0 109.791 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.2 m -63.55 -33.87 76.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.585 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.576 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 53.5 mmtt -64.06 -54.45 33.92 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.431 0.634 . . . . 0.0 110.843 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.46 -36.88 85.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.706 -174.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.0 mm-40 -66.77 -50.01 64.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.21 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.566 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 22.8 mmt180 -61.28 -34.69 75.6 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.172 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.6 mt -55.08 -56.26 21.86 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.587 0.555 . . . . 0.0 110.787 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.647 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 35.6 m95 -61.11 -35.86 78.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.963 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.566 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 49.2 mt-10 -64.86 -56.59 12.47 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.368 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.627 HG21 HE21 ' B' ' 405' ' ' GLN . 6.0 p -64.98 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 110.055 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -55.26 -55.37 32.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.162 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.769 HH22 HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.12 -27.2 63.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -177.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' B' ' 432' ' ' VAL . 83.0 mt -66.58 -47.8 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.517 ' O ' ' HD3' ' B' ' 440' ' ' LYS . 34.9 tp -58.51 -44.4 89.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.459 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.8 t -70.57 -38.23 74.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -176.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.566 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.58 -35.34 78.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.307 0.575 . . . . 0.0 109.497 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.588 HD11 ' HD3' ' B' ' 442' ' ' LYS . 36.5 tp -68.91 -35.15 76.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.414 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 436' ' ' LEU . 4.9 mptp? -60.68 -34.97 75.12 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.491 0.662 . . . . 0.0 109.744 171.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.7 tmt_? -65.83 -41.05 92.28 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.661 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 26.3 mtpp -59.83 -30.68 69.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.924 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.22 -41.26 94.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.361 0.6 . . . . 0.0 109.755 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.94 -1.9 53.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.666 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.661 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 43.8 tt0 -94.15 -26.43 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.974 -175.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.582 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 180' ' ' LYS . 68.7 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -93.26 -2.77 54.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.474 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.07 134.31 55.09 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.819 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.619 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 62.7 m-70 -137.27 132.21 33.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.493 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -114.15 110.17 19.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.589 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.67 156.94 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.956 0.408 . . . . 0.0 111.533 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 89' ' ' PHE . 53.9 mt -130.33 135.13 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.86 121.12 33.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.946 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 91' ' ' LEU . 34.2 m -119.48 170.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.743 0.306 . . . . 0.0 111.02 -178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.496 ' HA3' HG23 ' A' ' 25' ' ' VAL . . . 154.49 -178.94 30.99 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 p -83.28 -15.35 50.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.656 0.741 . . . . 0.0 110.341 -175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.08 -55.42 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.757 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 43.73 2.98 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 121.187 0.326 . . . . 0.0 112.38 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG23 ' HA3' ' A' ' 21' ' ' GLY . 28.2 m -117.18 -5.91 11.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.46 -0.435 . . . . 0.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 43.2 45.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.461 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -56.42 -53.81 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.457 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -71.71 -21.46 61.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.571 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -43.44 73.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.165 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 HG11 ' A' ' 165' ' ' VAL . 92.9 mt -73.42 -35.73 65.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.245 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 39.9 p -72.53 -42.91 64.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -53.09 -46.81 68.81 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.234 175.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.21 -33.94 76.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.568 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.66 -40.74 84.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 39.7 ttm -82.3 -51.79 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.38 -4.88 28.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -170.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.17 22.52 13.2 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.102 0.477 . . . . 0.0 111.221 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.62 161.98 35.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.633 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.4 147.19 29.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.6 p -60.41 110.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 0.0 111.588 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.25 -56.15 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.221 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -136.38 106.61 6.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.72 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -175.45 91.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 44.3 mt-10 -81.44 -60.81 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.864 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -72.05 142.99 39.46 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.703 1.602 . . . . 0.0 112.556 -173.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -154.41 44.29 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.423 171.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 78' ' ' ILE . 49.9 mtmt -85.87 -47.78 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB2' HD22 ' B' ' 409' ' ' LEU . . . -120.19 16.31 12.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.797 0.808 . . . . 0.0 109.399 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 5.3 m-20 -86.34 88.28 7.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.682 -172.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 4.1 t -91.34 137.15 32.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.006 169.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -132.95 103.9 6.29 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.301 0.572 . . . . 0.0 109.932 177.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -77.16 120.24 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.26 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 55.9 tptt -104.87 122.65 46.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.676 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -88.97 125.64 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.878 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 HG12 ' HG3' ' A' ' 53' ' ' LYS . 19.5 m -129.3 142.84 42.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -100.72 114.94 41.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.7 0.762 . . . . 0.0 110.21 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 59' ' ' GLY . 81.5 mt -102.49 104.4 14.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.524 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 73.3 -25.15 0.19 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 124.118 0.886 . . . . 0.0 112.385 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 57' ' ' LEU . . . 171.13 -30.82 0.13 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.659 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.41 137.49 33.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.66 113.36 21.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.37 0.605 . . . . 0.0 109.486 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -106.38 138.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.49 -174.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.1 117.87 31.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 110.832 -174.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 tt -111.23 129.3 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.477 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -90.63 123.26 34.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.172 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -108.33 112.41 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.84 0.352 . . . . 0.0 110.52 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' CH2' ' B' ' 430' ' ' TRP . 11.0 mt -105.34 123.08 47.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.603 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -102.13 148.06 25.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.843 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 p -114.92 148.22 38.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.885 0.374 . . . . 0.0 111.294 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.48 164.54 18.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.95 53.64 0.74 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.725 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.76 171.83 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.907 0.384 . . . . 0.0 111.329 -177.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -14.15 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -53.56 -65.52 0.55 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.831 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' HB3' HD13 ' A' ' 78' ' ' ILE . 71.3 m-85 -77.91 71.46 4.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.35 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.426 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -62.02 -23.61 66.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.083 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.1 -7.02 51.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.652 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 47' ' ' LYS . 68.1 mt -110.03 -31.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.97 0.414 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 2.7 ptm180 -91.67 -64.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.491 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.97 -51.75 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.397 . . . . 0.0 111.04 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.587 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.4 m-20 -70.08 -18.29 63.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.999 -172.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.2 m-30 -83.11 -26.34 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.525 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 19.7 m-30 -61.62 -24.03 66.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HG3' ' OE2' ' B' ' 426' ' ' GLU . 3.9 tmt_? -51.33 -58.34 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.887 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.17 25.67 8.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.117 0.484 . . . . 0.0 110.975 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.73 164.1 30.04 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.609 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.525 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 39.3 mt-10 -119.73 -71.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.345 0.572 . . . . 0.0 110.191 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.43 130.08 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.998 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 18' ' ' ILE . 97.2 m-85 -116.49 117.3 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.159 0.504 . . . . 0.0 111.192 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.71 106.53 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.922 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.565 HD13 HD21 ' A' ' 123' ' ' LEU . 28.1 mt -86.96 105.39 17.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.34 131.17 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.321 0.582 . . . . 0.0 110.403 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 30.7 p90 -138.28 175.97 9.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.871 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -115.78 145.64 42.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.808 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.532 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -85.05 0.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.283 -174.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.492 ' CG2' HD13 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -97.42 -61.26 1.42 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.357 176.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -70.33 103.89 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.432 0.634 . . . . 0.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.9 -28.49 68.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.565 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -64.6 -27.62 69.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -75.88 -34.94 60.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.393 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -73.87 -32.98 63.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 110.609 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.9 63.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.151 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.4 p -57.85 -43.2 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.65 -33.6 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.65 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.02 -40.89 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.387 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -58.4 -45.69 87.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.05 0.452 . . . . 0.0 110.049 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -54.98 -52.97 61.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.18 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.62 -31.61 71.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.39 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -39.36 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.471 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.375 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.95 -26.34 64.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.178 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 113' ' ' ARG . 23.5 ttt180 -62.91 -36.4 83.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.5 m -93.96 3.17 8.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.214 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 49.9 mttm -128.24 -90.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.73 0.44 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -110.94 75.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.684 0.754 . . . . 0.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.488 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 9.9 pt-20 -143.13 -164.82 1.93 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.252 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.482 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -67.01 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.775 0.261 . . . . 0.0 111.145 -172.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.903 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.8 mmmt -141.96 149.96 40.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.5 mt -119.52 93.21 47.11 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.786 0.326 . . . . 0.0 110.292 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.537 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 72.4 Cg_endo -84.38 121.24 2.61 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.211 2.607 . . . . 0.0 113.095 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.565 HD21 HD13 ' A' ' 91' ' ' LEU . 6.7 mp -116.27 157.91 24.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.669 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.452 HD21 ' N ' ' A' ' 125' ' ' VAL . 5.2 tt -147.76 132.09 17.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.46 HG22 HG21 ' A' ' 152' ' ' VAL . 17.8 t -98.11 121.34 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.239 0.543 . . . . 0.0 110.943 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.92 124.13 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.568 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.76 103.73 2.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.676 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.8 t30 -98.08 170.08 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 69.85 18.61 7.32 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.588 0.555 . . . . 0.0 110.773 -174.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.408 ' HB3' ' HG ' ' A' ' 158' ' ' SER . 14.6 t -61.16 -13.52 18.4 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.358 0.599 . . . . 0.0 110.06 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 158' ' ' SER . 1.6 m-20 -63.84 -19.18 64.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.938 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.492 HD13 ' CG2' ' A' ' 96' ' ' THR . 29.9 mt -72.47 -55.19 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.493 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 65.75 -73.54 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.778 0.674 . . . . 0.0 112.203 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.55 -28.76 65.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.784 0.326 . . . . 0.0 111.421 -175.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 44.9 mtp180 -86.22 4.5 38.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.311 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -58.35 113.58 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -95.96 -22.78 17.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.06 117.16 52.41 Favored Pre-proline 0 C--N 1.322 -0.598 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.178 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.17 126.2 21.72 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -59.82 -24.78 30.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.616 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.579 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.68 -43.91 62.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.514 0.673 . . . . 0.0 110.184 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.92 79.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.954 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 12.7 mtp85 -71.71 -32.2 67.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.2 t -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 30.2 mmtp -68.11 -33.89 75.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.627 0.251 . . . . 0.0 111.147 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.93 -44.6 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 110.092 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -64.99 -32.71 74.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.241 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.94 -45.99 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.27 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -84.39 -26.19 28.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.15 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.47 36.18 3.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.985 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.46 HG21 HG22 ' A' ' 125' ' ' VAL . 29.3 m -129.77 -178.96 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-O 120.617 0.246 . . . . 0.0 110.51 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -107.81 141.7 38.99 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.468 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 92.5 t80 -104.16 119.88 39.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.463 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.71 131.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.707 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -85.7 115.77 23.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.884 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 163' ' ' ALA . 31.9 p -115.51 129.74 56.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 111.715 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.418 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 11.4 m -112.2 111.25 22.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.943 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.02 -7.87 59.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -171.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -92.85 -4.0 53.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.1 t -144.25 -1.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.311 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 59.36 84.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 157' ' ' THR . . . -120.36 107.81 13.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.174 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 64.64 17.88 11.13 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.735 0.647 . . . . 0.0 111.858 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 30' ' ' LEU . 91.8 t -62.55 -52.12 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.83 -19.96 59.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.786 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 61.9 tttp -60.18 -47.73 84.7 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.276 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.07 -29.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -75.52 -54.17 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.863 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.52 -38.71 90.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 111.368 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.8 OUTLIER -63.66 -51.05 66.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.467 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -67.38 -29.86 69.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.408 ' SD ' HD13 ' A' ' 57' ' ' LEU . 20.2 ttm -64.77 -33.97 77.23 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -67.12 -44.78 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.6 mt-10 -62.63 -31.81 72.73 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.619 ' HB ' ' HD1' ' A' ' 15' ' ' HIS . 74.6 mt -59.09 -30.72 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.535 0.207 . . . . 0.0 110.986 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -64.2 -42.66 96.52 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 m -66.95 -35.43 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.305 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.903 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.4 mptt -68.08 -31.79 71.66 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.404 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 63.5 mmtt -72.05 -34.06 68.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.458 . . . . 0.0 110.056 174.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.1 mtm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 -176.142 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.069 0.461 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.99 -27.13 68.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.25 60.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.309 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.45 96.41 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.038 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.571 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.5 mm -60.42 -52.64 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.367 0.127 . . . . 0.0 110.953 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.89 -42.64 90.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.65 0.262 . . . . 0.0 111.536 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.424 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.1 mm-40 -66.44 -39.99 89.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.567 ' HB3' HD21 ' B' ' 439' ' ' LEU . 1.8 tp10 -67.7 -35.04 78.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.059 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 398' ' ' ILE . 79.2 mt -61.74 -52.41 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.424 HH21 ' CD ' ' B' ' 400' ' ' GLU . 62.0 mtm180 -61.77 -29.96 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.669 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 401' ' ' GLU . 73.2 ttt180 -63.45 -49.77 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.643 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.431 ' NE2' HG21 ' B' ' 432' ' ' VAL . 13.3 mm100 -71.89 -33.82 68.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.83 -44.7 93.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.71 -48.09 80.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.17 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.666 ' HB2' HG23 ' B' ' 432' ' ' VAL . 44.2 mt -59.83 -51.39 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 48' ' ' ALA . 21.2 tp -62.67 -46.72 86.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.516 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -56.92 -48.72 77.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.421 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.44 -54.53 45.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 65.9 mt -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.89 -44.09 91.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.03 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -77.18 -44.63 29.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.643 0.259 . . . . 0.0 111.326 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.554 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.686 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 42.9 mt -71.04 -26.22 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -64.5 -19.14 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.115 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.17 88.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.462 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.54 -15.39 53.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.975 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.686 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.1 mt -86.22 124.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.57 ' HA ' HD21 ' B' ' 416' ' ' LEU . 24.4 pttm -148.01 152.59 37.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.046 0.451 . . . . 0.0 110.305 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.481 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.2 t70 -148.37 162.01 40.42 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.37 -28.03 68.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.907 0.384 . . . . 0.0 110.829 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 18.5 p -63.5 -35.63 81.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.137 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.2 mmtt -73.31 -47.89 38.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.558 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.503 ' OE2' ' HG3' ' A' ' 84' ' ' ARG . 31.1 mt-10 -60.83 -47.42 86.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.281 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.33 -34.79 70.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.494 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.8 tpt180 -64.96 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.907 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.583 HD13 HD13 ' B' ' 416' ' ' LEU . 15.9 mt -56.54 -57.73 11.07 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.923 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.565 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 36.2 m95 -64.55 -31.55 72.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.501 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 38.1 tt0 -67.29 -56.33 10.22 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' B' ' 408' ' ' LEU . 9.9 p -63.78 -32.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.314 0.578 . . . . 0.0 109.678 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 24.3 tp60 -56.45 -57.74 10.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.806 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -63.36 -27.96 69.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.278 -176.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.9 mt -70.6 -49.77 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.441 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 33.0 tp -58.27 -39.53 79.46 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.425 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.1 t -71.47 -42.53 68.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.647 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.26 -34.5 78.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.379 0.609 . . . . 0.0 109.634 176.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' B' ' 401' ' ' GLU . 21.9 tp -69.24 -32.57 71.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.03 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 34.7 mmtp -60.75 -37.02 80.39 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.432 0.634 . . . . 0.0 109.575 171.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 4.6 tmt_? -63.78 -40.61 97.09 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.65 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 20.2 mtpp -64.67 -27.67 69.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.957 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.416 ' HA ' HG22 ' B' ' 398' ' ' ILE . 40.8 tp -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -83.71 -1.67 54.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.046 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.65 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 31.2 tt0 -85.81 -54.27 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.884 -177.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.933 -176.641 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.046 0.451 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -83.56 18.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.138 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' ' HE3' ' A' ' 180' ' ' LYS . 62.6 tp -130.78 129.57 42.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.76 148.92 46.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.569 0.223 . . . . 0.0 110.837 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -118.94 119.55 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.005 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -125.09 123.78 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HD12 ' CE1' ' A' ' 89' ' ' PHE . 66.4 mt -109.51 129.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mmm -87.31 101.54 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.802 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.68 139.41 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.108 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.66 146.4 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.917 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.572 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 7.7 t -80.53 94.02 6.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 95.53 -72.08 0.94 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.56 105.72 0.33 Allowed Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.086 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 93' ' ' PHE . 60.4 t -74.56 -75.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.889 0.375 . . . . 0.0 110.298 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.48 33.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.948 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 17.0 pttp -79.29 -8.81 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -79.06 -29.58 43.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.087 0.47 . . . . 0.0 110.26 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.07 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.038 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.83 -45.91 88.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.427 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 66' ' ' ILE . 36.2 p -76.52 -39.23 53.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.469 -175.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 ' HB ' ' A' ' 40' ' ' VAL . 21.9 tp -55.24 -41.05 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 110.843 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.75 -30.81 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -72.3 -49.18 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.627 ' SD ' HD13 ' A' ' 66' ' ' ILE . 3.8 mpp? -70.4 -45.98 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 96.9 m-85 -96.46 -88.85 0.27 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.648 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 34.6 t70 168.6 -30.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.077 0.465 . . . . 0.0 111.27 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.56 150.51 20.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.211 0.529 . . . . 0.0 111.498 -171.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -76.1 138.76 40.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.415 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 ' HB ' HD22 ' A' ' 32' ' ' LEU . 7.1 p -67.18 119.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.513 0.673 . . . . 0.0 111.509 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -94.01 -48.43 6.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.145 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -145.76 136.0 23.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.162 171.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -171.26 91.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.495 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 15.2 mm-40 -66.66 -56.88 13.32 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -167.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 51.2 Cg_exo -51.59 -93.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 122.771 2.314 . . . . 0.0 114.664 -168.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.727 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 18.0 p 48.84 34.32 5.23 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -86.36 -47.43 9.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.353 0.597 . . . . 0.0 109.415 171.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.5 12.88 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.727 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.3 m-20 -73.33 93.75 1.95 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.923 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 18.9 m -108.87 174.51 5.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.51 -0.768 . . . . 0.0 108.94 176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 13.0 t80 -156.1 140.05 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -99.78 112.42 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.609 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 58.6 tptt -109.84 140.6 43.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.308 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 9.0 ttmt -109.55 127.59 54.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.43 149.25 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.449 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.488 HG22 ' C ' ' A' ' 60' ' ' GLU . 3.6 p -120.27 138.77 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.075 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 44.1 mt -139.23 124.25 18.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.555 169.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 6.5 t70 83.12 -49.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.169 0.918 . . . . 0.0 112.9 175.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.66 -71.61 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 118.874 -1.631 . . . . 0.0 114.841 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.488 ' C ' HG22 ' A' ' 56' ' ' VAL . 8.7 pt-20 -92.55 139.48 30.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.82 0.31 . . . . 0.0 110.908 -170.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.9 mt-10 -71.21 124.45 24.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.439 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -106.6 140.77 23.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 -173.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -113.1 124.08 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.201 0.524 . . . . 0.0 109.964 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.571 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.6 tt -123.54 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.34 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.74 117.63 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.627 HD13 ' SD ' ' A' ' 35' ' ' MET . 30.1 mt -107.74 131.32 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.4 121.18 40.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.217 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.454 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 35.2 t0 -99.35 108.14 20.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -82.65 142.43 31.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.4 113.8 14.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -83.38 71.37 3.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.514 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -139.13 171.41 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.828 0.347 . . . . 0.0 110.813 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.0 5.15 47.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.43 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.2 m-20 -86.17 -82.88 0.19 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.439 0.638 . . . . 0.0 111.062 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -78.63 78.78 5.07 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.325 -174.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.12 -16.81 63.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.087 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.88 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -70.18 -13.19 62.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.01 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.561 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 68.6 mt -99.31 -37.49 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.437 ' NH2' ' HG2' ' A' ' 110' ' ' GLN . 4.0 ttp180 -87.15 -68.01 0.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.135 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.32 -42.57 30.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.702 -172.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.88 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.0 m-20 -70.41 -17.66 63.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 6.2 m-85 -87.74 -20.64 25.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -63.16 -26.65 68.91 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 86' ' ' GLY . 16.4 mmm180 -57.31 -66.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -75.93 25.93 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 84' ' ' ARG . . . -95.99 144.4 17.25 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.165 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 59.9 mt-10 -101.8 -70.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.13 143.08 15.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.027 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CE1' HD12 ' A' ' 18' ' ' ILE . 89.4 m-85 -126.02 127.44 45.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.407 . . . . 0.0 111.004 -176.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.77 115.36 30.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.702 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD13 HG23 ' A' ' 125' ' ' VAL . 83.8 mt -88.77 107.49 18.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 128' ' ' ASN . 97.8 t -99.51 118.28 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.311 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.639 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 10.4 p90 -144.95 154.15 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.075 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.6 p -100.56 147.28 26.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.566 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -86.99 6.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.57 HG21 HD22 ' A' ' 132' ' ' LEU . 17.4 p -86.46 -49.88 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.379 0.609 . . . . 0.0 109.438 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.59 102.97 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.144 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -68.5 -18.78 64.46 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.533 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.37 -28.75 69.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 0.0 110.484 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 42.3 m -67.4 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 0.0 110.298 176.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.3 t80 -78.65 -24.93 44.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.174 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -39.51 29.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.337 0.589 . . . . 0.0 109.845 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.66 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.844 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.633 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 1.2 p -63.58 -28.78 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.471 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.22 85.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.458 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.93 -44.98 94.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.98 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 7.4 m-85 -58.93 -50.98 71.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.082 0.468 . . . . 0.0 109.968 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.14 -46.02 83.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.432 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.04 -33.92 74.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.731 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HG2' ' NH2' ' A' ' 79' ' ' ARG . 5.7 tp-100 -67.66 -36.2 80.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 107' ' ' PHE . 84.4 mt -64.08 -45.24 97.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.137 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -76.3 -38.49 56.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.499 HG21 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -93.18 -4.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.784 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HG3' HG21 ' A' ' 114' ' ' VAL . 54.8 mttm -130.98 -69.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.997 0.427 . . . . 0.0 111.444 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 59.59 79.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.816 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.77 41.13 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.386 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.7 -45.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.679 0.275 . . . . 0.0 110.682 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.03 -90.35 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.581 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 37.5 mmtm -151.94 125.54 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.4 mt -112.09 97.86 40.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.417 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 93.2 Cg_endo -86.91 116.74 1.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.745 2.297 . . . . 0.0 112.523 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.546 ' HB2' HG13 ' A' ' 152' ' ' VAL . 7.2 mp -111.73 150.61 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.175 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD12 ' HG3' ' A' ' 153' ' ' GLN . 1.0 OUTLIER -136.86 113.54 10.26 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.437 HG23 HD13 ' A' ' 91' ' ' LEU . 20.7 t -81.11 118.65 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.275 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.14 109.89 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.402 -173.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.4 91.7 0.65 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.439 ' HB2' HG12 ' A' ' 92' ' ' VAL . 3.8 t-20 -89.24 142.95 27.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.608 ' HG3' HD21 ' A' ' 132' ' ' LEU . 23.7 tptm 68.28 67.41 0.33 Allowed 'General case' 0 C--O 1.221 -0.431 0 O-C-N 123.909 0.755 . . . . 0.0 109.73 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -101.69 8.05 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.793 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.33 14.99 3.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.548 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -95.61 -56.53 2.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.975 176.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.404 ' N ' HD13 ' A' ' 132' ' ' LEU . 12.7 tt0 62.12 -66.4 0.08 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.252 1.021 . . . . 0.0 112.87 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.65 -14.31 50.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 112.016 -175.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 5.0 mpt_? -110.76 21.26 16.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.57 114.5 10.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -114.03 -3.36 13.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 111.157 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 95' ' ' ILE . 83.1 t -108.44 108.1 60.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.93 122.08 11.02 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.211 1.941 . . . . 0.0 111.008 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.431 ' HA ' ' HB2' ' A' ' 143' ' ' ALA . 1.4 t -58.98 -21.82 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.43 -55.14 37.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.51 -33.63 60.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . . . -57.54 -48.66 78.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.014 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -69.59 -39.74 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.076 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.6 t -55.36 -35.97 65.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.661 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.6 mmtt -68.31 -34.34 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.422 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 154' ' ' TYR . . . -64.29 -43.92 93.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 176.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.94 -29.85 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.03 -40.22 94.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.499 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -95.89 2.89 53.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 69.11 34.02 75.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.65 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 123' ' ' LEU . 34.0 m -120.53 -167.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.733 ' HG3' HD12 ' A' ' 124' ' ' LEU . 11.6 pt20 -116.35 162.04 18.12 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.319 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.479 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 82.1 t80 -132.18 119.03 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.705 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.91 132.58 67.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.011 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.95 146.17 26.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -133.21 130.3 38.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.362 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.9 m -116.59 95.08 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.51 -22.56 65.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.19 -14.03 52.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 t -144.03 10.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.466 0.651 . . . . 0.0 109.919 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 53.76 61.15 3.23 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.41 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.63 114.67 28.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.567 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 66.86 12.8 9.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.88 0.738 . . . . 0.0 112.015 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.92 -45.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.371 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.81 -33.66 62.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.17 -51.04 69.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.283 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.86 -31.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.435 ' CZ ' HG22 ' A' ' 31' ' ' THR . 93.8 m-85 -75.29 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.653 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -60.56 -37.44 81.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.396 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -51.11 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.4 tp -67.34 -36.14 80.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.24 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.571 ' SD ' HD13 ' A' ' 64' ' ' ILE . 59.1 mtp -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.74 -41.72 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.818 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.475 ' HB3' ' HZ2' ' A' ' 179' ' ' LYS . 25.1 mt-10 -59.17 -39.54 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.481 177.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 172' ' ' LEU . 57.7 mt -58.1 -29.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.456 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -61.54 -49.29 77.27 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.34 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.3 m -63.0 -36.58 84.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.669 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.581 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 14.4 mptt -61.58 -42.87 99.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.522 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' A' ' 14' ' ' LEU . 68.9 mttm -69.24 -36.02 76.73 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.018 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.236 177.392 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.478 ' O ' HG12 ' B' ' 398' ' ' ILE . 74.2 m . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.22 0.533 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.16 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.92 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.11 0.481 . . . . 0.0 110.84 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.18 -35.78 91.38 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.022 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.493 ' O ' HG13 ' B' ' 402' ' ' ILE . 40.3 mm -57.04 -49.59 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.681 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.2 -42.36 86.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -63.94 -46.5 84.45 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.46 -44.49 96.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.399 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.677 HG12 ' HB3' ' B' ' 439' ' ' LEU . 91.8 mt -53.66 -54.76 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.061 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -65.02 -30.21 71.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 61.9 ttt180 -62.27 -47.83 82.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.924 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.516 ' OE1' HG21 ' B' ' 432' ' ' VAL . 83.1 mm-40 -76.47 -31.45 57.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 61.9 mt-10 -59.98 -42.17 93.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.77 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' B' ' 432' ' ' VAL . 38.4 mt -62.87 -52.41 63.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.435 HD11 HG12 ' B' ' 432' ' ' VAL . 16.0 tp -60.61 -41.28 94.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.424 0.63 . . . . 0.0 109.968 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -55.69 -46.92 77.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.67 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.8 t -60.46 -55.43 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.429 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.476 HD22 ' O ' ' B' ' 408' ' ' LEU . 4.0 mm? -54.59 -40.08 68.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 178.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -63.66 -40.16 96.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.157 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.64 -46.97 28.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 111.133 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.23 -47.17 85.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.574 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' B' ' 425' ' ' LYS . 7.0 mp -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -61.86 -19.74 62.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.333 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.41 2.17 78.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.686 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.98 28.04 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.027 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 46.7 mt -95.42 116.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -128.16 143.08 51.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.777 0.799 . . . . 0.0 112.097 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.3 t70 -150.11 171.44 16.88 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 171.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 7.6 mp -71.74 -29.68 64.78 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 14.0 m -65.29 -38.25 89.65 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.022 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.658 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -64.46 -38.39 90.86 Favored 'General case' 0 C--N 1.342 0.239 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.105 -172.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.658 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 pt-20 -73.89 -37.13 64.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.6 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 52.4 mt-10 -62.52 -42.23 99.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.692 ' O ' HG13 ' B' ' 432' ' ' VAL . 37.7 mmt180 -61.05 -50.91 71.42 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.016 174.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.603 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.7 mt -56.31 -57.01 14.06 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.172 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.665 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 70.9 m95 -60.63 -35.47 76.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.376 0.423 . . . . 0.0 111.257 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 6.6 tp10 -72.81 -55.81 6.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.449 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.692 HG13 ' O ' ' B' ' 428' ' ' ARG . 3.3 p -62.29 -33.03 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.162 0.506 . . . . 0.0 110.273 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -55.12 -54.6 41.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.481 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.665 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.32 -27.5 63.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -177.063 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.555 HD13 ' HA ' ' B' ' 432' ' ' VAL . 68.6 mt -67.44 -48.22 78.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.954 0.407 . . . . 0.0 109.974 175.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD21 ' HG2' ' B' ' 406' ' ' GLU . 32.0 tp -59.35 -43.56 92.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.433 HG21 ' HA ' ' B' ' 434' ' ' ARG . 9.7 t -67.2 -34.35 77.3 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.867 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.677 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.8 mp -63.04 -40.31 97.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.627 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -58.36 -43.18 88.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 109.912 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -64.89 -43.43 92.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.819 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 13.9 mmmm -58.37 -33.87 70.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.496 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.558 ' HB2' HD12 ' B' ' 402' ' ' ILE . 45.8 tp -68.54 -37.57 80.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.326 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -82.8 -3.94 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.428 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.42 -42.56 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.056 -177.123 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.44 17.15 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.305 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.772 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 tp -124.28 115.49 21.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.605 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.87 132.66 53.79 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.916 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.772 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -100.3 115.31 29.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.26 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 64' ' ' ILE . 89.7 t -109.43 114.15 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.986 0.422 . . . . 0.0 110.968 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.01 124.97 66.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.4 mtt -87.9 106.8 18.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.947 0.403 . . . . 0.0 110.401 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 91' ' ' LEU . 15.2 m -95.84 127.73 47.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 171.99 -28.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.996 -177.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.544 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 5.7 m 77.78 -63.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.843 0.457 . . . . 0.0 110.644 176.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 147.67 48.83 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.19 65.39 4.08 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.184 -1.008 . . . . 0.0 111.236 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 t -71.58 65.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.986 0.898 . . . . 0.0 110.854 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' HG ' ' A' ' 30' ' ' LEU . . . 71.5 7.61 64.85 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-N 114.583 -1.189 . . . . 0.0 113.234 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -57.7 -37.82 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' HD13 ' A' ' 32' ' ' LEU . 29.3 m -60.9 -42.76 98.65 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.97 -43.5 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 90.5 mt -58.4 -46.42 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.21 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.52 ' HB ' ' HE1' ' A' ' 35' ' ' MET . 69.4 p -67.1 -40.34 86.87 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.94 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD23 ' HB ' ' A' ' 40' ' ' VAL . 10.1 mp -66.38 -33.74 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.285 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 76.2 mm-40 -57.77 -43.66 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.0 110.698 175.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.11 -50.88 14.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.874 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.52 ' HE1' ' HB ' ' A' ' 31' ' ' THR . 67.8 mtm -78.06 -43.21 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.497 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 5.3 m-85 -95.67 -18.03 20.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.375 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.6 m-20 70.1 9.73 7.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.667 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.51 169.97 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.181 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.94 149.74 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.679 ' HB ' HD23 ' A' ' 32' ' ' LEU . 3.6 p -74.05 102.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.495 0.664 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.79 -45.27 8.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.486 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -145.61 96.03 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.182 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.418 ' HB3' HG23 ' A' ' 40' ' ' VAL . 48.7 t80 -164.63 92.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.009 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.0 mt-10 -76.29 -57.75 1.32 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.229 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 14.9 Cg_endo -55.28 109.57 0.43 Allowed 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.628 2.219 . . . . 0.0 113.347 -173.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -151.29 48.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.759 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -87.11 -60.16 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 0.0 110.218 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.65 20.81 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.342 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.4 m-20 -75.38 83.37 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.645 -172.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.451 ' OG ' HD11 ' A' ' 67' ' ' LEU . 35.0 m -91.16 148.64 22.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.296 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.6 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 29.6 t80 -144.14 158.81 43.5 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 6.0 ptp180 -112.92 138.98 48.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HG3' HG11 ' A' ' 55' ' ' VAL . 48.4 tptt -106.08 125.89 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.123 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -79.78 111.23 15.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.614 HG11 ' HG3' ' A' ' 53' ' ' LYS . 14.2 m -137.92 144.88 29.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' GLU . 7.4 p -120.3 128.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.187 0.518 . . . . 0.0 109.681 173.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.21 98.03 5.31 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.97 29.5 19.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.467 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.01 -122.09 0.59 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.361 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 56' ' ' VAL . 14.8 pt-20 -109.4 168.88 9.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -58.76 120.97 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.13 0.49 . . . . 0.0 110.979 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -106.93 147.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.036 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -113.8 117.61 31.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.622 0.725 . . . . 0.0 110.29 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 17' ' ' VAL . 6.5 tt -113.54 113.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 42.9 m-20 -90.44 126.36 35.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.447 HG21 HG22 ' A' ' 31' ' ' THR . 30.4 mm -106.46 112.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD11 ' OG ' ' A' ' 50' ' ' SER . 61.2 tp -82.86 107.16 15.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.236 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.57 88.46 7.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 m -79.19 139.66 37.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.244 -173.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.18 135.38 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.865 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -129.69 91.54 0.31 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.838 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.1 pt? -151.91 -171.78 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -175.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.34 2.33 32.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.392 . . . . 0.0 111.369 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.591 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 7.4 m-20 -110.15 -75.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.396 0.617 . . . . 0.0 111.177 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HB2' HD22 ' A' ' 72' ' ' LEU . 98.5 m-85 -79.82 85.48 5.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.418 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 79' ' ' ARG . . . -93.23 -26.25 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.634 176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -66.92 -20.8 65.97 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 75' ' ' TYR . 10.2 mt -77.19 -30.15 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.564 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -92.76 -65.95 0.96 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.051 178.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.34 -46.92 81.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.149 0.499 . . . . 0.0 111.88 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.97 -17.25 57.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.98 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' OH ' HD12 ' B' ' 409' ' ' LEU . 6.5 m-85 -87.32 -15.14 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 20' ' ' VAL . 19.7 m-85 -63.58 -16.66 61.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.768 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -65.46 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.638 -174.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.523 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.4 m -86.02 36.6 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -170.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.96 143.94 13.6 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.565 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.4 OUTLIER -109.67 -35.39 6.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 117.653 0.727 . . . . 0.0 111.79 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.23 115.23 3.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.421 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -117.56 112.65 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.138 0.494 . . . . 0.0 111.005 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 124' ' ' LEU . 77.7 mt -91.7 109.49 20.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.84 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -79.27 105.88 10.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG11 ' HB ' ' A' ' 126' ' ' VAL . 19.1 m -113.73 132.19 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 112.111 -174.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -152.04 163.28 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.692 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 96' ' ' THR . 18.6 p -102.64 138.91 38.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.5 HG13 ' HE ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.8 15.78 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.351 0.596 . . . . 0.0 111.494 -176.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.619 HG22 ' CD1' ' A' ' 132' ' ' LEU . 15.3 p -122.97 5.93 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.378 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -124.28 102.21 7.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.515 0.674 . . . . 0.0 109.492 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -65.67 -31.53 72.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.288 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.23 -44.69 83.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.95 -176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.1 p -64.83 -26.64 68.42 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.613 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.89 -50.91 45.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.4 m -66.55 -28.22 68.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.383 0.611 . . . . 0.0 110.517 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.26 61.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.306 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.2 p -51.31 -46.74 62.64 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 111.677 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.35 -41.94 84.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -58.09 -47.15 84.1 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.29 -44.11 83.77 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.627 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -65.15 -38.06 89.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.395 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -38.36 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.165 0.507 . . . . 0.0 109.945 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 107' ' ' PHE . 74.8 mt -64.05 -54.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.12 -17.99 65.11 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -66.59 -33.74 76.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.076 0.465 . . . . 0.0 110.755 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.7 HG23 ' HG2' ' A' ' 115' ' ' LYS . 32.9 m -111.02 3.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.244 0.545 . . . . 0.0 110.733 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 12.0 mmmm -136.16 -148.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 77.86 -0.36 2.71 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.179 0.992 . . . . 0.0 111.705 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -111.83 12.78 20.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.101 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.665 ' OE1' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.85 -160.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -175.408 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.6 -73.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 0.0 110.341 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.461 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 16.2 tppt? -168.75 136.41 2.0 Allowed 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 115' ' ' LYS . 85.2 mt -94.47 108.63 37.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.898 0.38 . . . . 0.0 111.217 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.565 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.1 Cg_endo -84.24 125.84 3.59 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.78 2.32 . . . . 0.0 111.601 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.1 144.77 38.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.071 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.689 HD11 ' HG2' ' A' ' 153' ' ' GLN . 5.6 tp -139.11 116.27 11.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 172.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.15 126.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.534 ' HB ' HG11 ' A' ' 92' ' ' VAL . 46.8 t -120.18 132.62 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.29 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.3 113.46 4.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.984 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.4 t-20 -96.21 164.26 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 12.8 mptt 74.13 25.75 1.76 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.764 0.665 . . . . 0.0 111.501 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.8 t -65.83 -9.07 25.55 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.409 0.623 . . . . 0.0 109.895 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.4 -15.12 62.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.042 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.838 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.2 mt -77.2 -45.7 25.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.811 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 63.86 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.178 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.54 -17.45 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.137 0.494 . . . . 0.0 110.91 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.838 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.7 mtp180 -87.34 -0.23 56.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.887 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' HE ' HG13 ' A' ' 95' ' ' ILE . 41.4 ttm180 -53.84 113.85 1.36 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.459 ' H ' ' HA ' ' A' ' 96' ' ' THR . 30.1 mm-40 -91.24 -27.08 18.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.9 p -114.13 122.47 34.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.98 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.12 119.67 6.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 111.246 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.09 -12.03 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.292 0.568 . . . . 0.0 109.893 -176.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -57.54 -46.51 83.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.478 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.76 -14.31 54.7 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.41 -34.36 41.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.218 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.6 mtp180 -66.26 -35.94 81.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.983 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -58.41 -30.92 67.24 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.863 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -65.32 -48.68 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.324 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.08 93.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.08 -37.26 86.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.94 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -45.89 70.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.06 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -77.01 -16.66 59.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.19 32.81 10.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.113 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.57 -179.05 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.595 0.236 . . . . 0.0 110.803 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.689 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.0 pm0 -103.07 163.2 12.36 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.949 0.404 . . . . 0.0 111.31 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -134.43 127.64 31.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.946 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.86 131.41 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.361 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.82 144.03 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.557 ' HB ' HG23 ' A' ' 165' ' ' VAL . 31.1 p -128.18 140.33 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.258 0.552 . . . . 0.0 112.147 -175.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.511 ' HB3' ' HB2' ' A' ' 163' ' ' ALA . 20.7 t -102.34 123.16 45.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.515 172.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.11 -1.77 47.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.685 0.278 . . . . 0.0 111.263 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -92.11 -22.5 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.014 0.435 . . . . 0.0 110.941 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.6 t -130.37 1.01 4.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.456 0.646 . . . . 0.0 109.805 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 56.07 71.71 0.54 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.053 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 158' ' ' SER . . . -116.88 129.39 56.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.929 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 71.17 -4.6 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.871 0.732 . . . . 0.0 111.912 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 157' ' ' THR . 62.0 t -70.23 -43.61 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.123 -176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -71.29 -23.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -60.04 -56.43 21.79 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.9 m -60.45 -28.84 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 173' ' ' MET . 82.7 m-85 -70.09 -52.1 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.619 0.247 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -69.7 -34.97 74.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.198 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -60.46 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.67 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.5 tp -69.62 -34.1 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 53.1 mtm -61.76 -31.54 71.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.353 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -70.98 -33.98 70.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.118 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.39 -38.71 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.552 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.5 mt -55.17 -39.2 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.944 -175.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 177' ' ' ARG . 7.3 ptp180 -71.08 -39.65 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.533 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 25.8 m -71.53 -33.65 69.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.44 -43.66 98.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.235 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 33.3 mmtp -73.7 -40.95 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.57 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.07 -179.645 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.439 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.7 m . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.826 0.346 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.06 -37.16 86.1 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.09 82.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.408 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.95 95.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.908 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' B' ' 443' ' ' LEU . 38.4 mm -60.86 -50.61 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.564 ' HA ' HD11 ' B' ' 402' ' ' ILE . 96.2 mttt -60.49 -34.66 74.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.95 -38.25 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.511 0.196 . . . . 0.0 111.086 175.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 58.7 mt-10 -68.3 -38.82 82.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.245 176.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.623 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.95 -50.37 53.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.516 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 21.9 mmm180 -56.35 -42.34 77.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.962 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 34.3 ttm180 -59.83 -47.89 83.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.107 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 69.0 mm-40 -71.32 -28.98 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.27 -177.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.516 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 46.5 mt-10 -59.95 -45.17 93.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.31 -46.07 71.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.1 mt -60.15 -47.28 86.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.555 HD12 ' OH ' ' A' ' 82' ' ' TYR . 43.1 tp -69.42 -32.6 71.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.012 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.74 -47.61 82.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.9 t -59.41 -51.85 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' B' ' 429' ' ' LEU . 1.9 mm? -54.05 -46.45 71.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.347 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -57.87 -49.06 77.98 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.135 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -69.68 -38.0 76.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.2 -48.39 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' B' ' 425' ' ' LYS . 7.0 mp -68.81 -32.92 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.46 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 2.8 mt-30 -69.34 -9.69 54.5 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.051 0.453 . . . . 0.0 111.012 176.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.17 86.77 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.25 28.14 5.61 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.129 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 53.2 mt -132.52 127.8 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.912 0.356 . . . . 0.0 110.091 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -133.37 152.42 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 0.0 111.367 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.605 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.7 t70 -149.86 161.54 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.318 171.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.4 -32.14 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.716 0.293 . . . . 0.0 111.254 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.63 -33.02 74.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.252 0.549 . . . . 0.0 110.003 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.644 ' HB3' HD11 ' B' ' 416' ' ' LEU . 47.1 mmtt -72.69 -45.44 58.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.927 -176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.56 -43.99 95.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.385 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -63.55 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.55 ' O ' HG22 ' B' ' 432' ' ' VAL . 24.9 tpt180 -70.85 -37.1 73.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.562 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 7.6 mt -59.39 -44.74 92.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.544 0.212 . . . . 0.0 111.396 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.68 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 37.3 m95 -69.34 -32.63 71.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.52 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.618 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -61.84 -55.85 25.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.92 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.55 HG22 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -61.92 -34.65 63.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 121.31 0.576 . . . . 0.0 109.625 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.8 tp60 -55.46 -51.2 67.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.99 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.68 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.73 -25.78 62.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.144 -178.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' B' ' 432' ' ' VAL . 30.3 mt -75.12 -43.95 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.564 177.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.42 -41.08 79.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.112 174.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.625 HG21 ' HA ' ' B' ' 434' ' ' ARG . 6.2 t -77.41 -32.85 55.0 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.596 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.22 -36.31 83.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.916 HD11 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -64.02 -35.53 81.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.927 176.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -60.2 -37.24 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.256 0.551 . . . . 0.0 109.549 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.83 -43.04 69.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.349 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.916 ' HD3' HD11 ' B' ' 439' ' ' LEU . 48.3 mtpt -58.72 -33.34 70.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.788 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.524 ' HA ' HG22 ' B' ' 398' ' ' ILE . 3.0 tm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -74.1 -22.91 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.652 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -73.32 -33.33 65.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.647 -179.039 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -94.97 3.39 55.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 111.606 -172.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -129.54 129.53 44.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.308 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' HD1' HD12 ' A' ' 176' ' ' ILE . 58.6 m-70 -132.22 140.58 48.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.637 0.256 . . . . 0.0 110.757 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -119.16 107.58 13.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG22 HD12 ' A' ' 64' ' ' ILE . 30.4 m -115.54 119.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.701 0.762 . . . . 0.0 110.669 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.65 113.39 43.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.3 ttm -84.74 108.62 17.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.354 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.96 170.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.571 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 150.46 166.06 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -85.15 114.34 22.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.175 0.512 . . . . 0.0 110.27 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 78.22 -81.16 1.33 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.779 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -151.73 -54.81 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.345 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 93' ' ' PHE . 15.1 t 56.77 57.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.566 0.698 . . . . 0.0 110.166 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 11.66 65.95 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.284 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 18.0 ttmm -53.77 -62.91 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.846 0.458 . . . . 0.0 112.132 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.463 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 15.2 m -73.26 -14.85 61.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.412 -172.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.64 -45.25 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.239 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.5 -40.36 64.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 10.9 p -63.23 -39.48 94.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 111.72 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.67 -35.18 80.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.907 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.794 HE22 ' HA ' ' A' ' 39' ' ' PHE . 74.6 mm-40 -64.62 -42.97 95.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.01 0.434 . . . . 0.0 110.637 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.41 -27.76 66.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.0 mtp -87.2 -60.94 1.84 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.911 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.406 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 94.1 m-85 -110.08 -12.54 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 32.3 t70 73.28 2.23 4.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.277 0.56 . . . . 0.0 111.502 177.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.29 145.88 26.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.981 0.42 . . . . 0.0 110.865 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.794 ' HA ' HE22 ' A' ' 33' ' ' GLN . 71.5 t80 -78.25 148.98 33.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.085 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.23 104.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 111.842 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -89.24 -56.38 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.31 94.59 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.014 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -155.81 97.89 1.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.207 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.663 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.4 tp10 -116.42 -49.69 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -173.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 27.2 Cg_endo -61.17 93.14 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.047 1.831 . . . . 0.0 114.173 -173.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.7 p -138.75 72.72 1.41 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.259 0.552 . . . . 0.0 109.594 170.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.31 -59.26 2.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.497 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HB2' ' CE1' ' B' ' 413' ' ' HIS . . . -125.79 -14.66 6.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -169.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -84.72 159.34 20.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 t -132.38 147.83 52.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -126.62 152.72 46.29 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.771 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 37.5 ttm180 -120.01 132.74 55.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.482 . . . . 0.0 110.866 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -110.64 129.54 55.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.422 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -97.63 121.27 39.34 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.931 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.82 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.633 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -96.61 115.37 35.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.73 HD23 ' HD3' ' A' ' 174' ' ' ARG . 32.9 tp -104.16 100.18 9.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.727 -173.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 71.71 -21.35 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.889 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.32 -46.87 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.45 146.92 26.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 117.614 0.707 . . . . 0.0 110.928 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 mt-10 -78.87 115.33 18.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.666 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 13' ' ' ALA . 1.8 t -107.27 152.68 8.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.858 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.771 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 49.8 mt-30 -113.27 119.49 37.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.484 . . . . 0.0 110.598 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 17' ' ' VAL . 4.7 tt -119.21 118.1 56.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.44 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.75 126.18 35.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.948 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.45 123.06 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.453 0.644 . . . . 0.0 110.801 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.428 HD21 ' CD2' ' A' ' 82' ' ' TYR . 20.7 tp -106.51 103.84 13.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.069 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' CG ' ' HG ' ' A' ' 28' ' ' SER . 22.0 t70 -84.37 87.04 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.302 0.573 . . . . 0.0 109.481 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -75.2 145.73 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.3 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 120.4 16.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -82.4 61.62 4.69 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.44 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -138.18 173.04 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.575 0.226 . . . . 0.0 110.803 -178.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 79' ' ' ARG . 41.9 mt-10 -94.78 -5.73 44.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.5 m-20 -68.33 -64.44 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 111.476 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' H ' HD13 ' A' ' 72' ' ' LEU . 70.3 m-85 -84.82 78.71 9.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.937 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.02 64.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.875 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.618 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -75.75 -10.07 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.46 . . . . 0.0 111.009 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.653 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 23.2 mt -104.5 -30.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 0.0 109.953 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 73' ' ' GLU . 55.5 ttp180 -90.96 -65.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.146 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.6 -57.46 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.207 0.527 . . . . 0.0 111.652 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.618 HD21 ' HA ' ' A' ' 77' ' ' ALA . 63.7 m-80 -68.89 -17.08 63.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.46 -170.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.653 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -89.1 -6.6 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.073 -0.392 . . . . 0.0 111.929 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.433 ' HB2' HG23 ' A' ' 114' ' ' VAL . 9.1 m-30 -77.73 -24.48 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.968 -176.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.461 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -64.57 -57.62 8.63 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.694 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 24.5 t -81.29 -3.16 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.084 0.468 . . . . 0.0 111.142 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.53 137.62 14.43 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.123 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 4.8 tp10 -133.18 65.0 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.671 0.748 . . . . 0.0 109.057 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . 164.07 111.24 0.25 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -122.71 124.73 44.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.375 0.607 . . . . 0.0 111.569 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 124' ' ' LEU . 88.2 mt -97.07 117.11 30.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.754 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 123' ' ' LEU . 46.1 mt -93.36 106.33 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.0 m -107.01 136.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.041 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.461 ' HA ' HG11 ' A' ' 25' ' ' VAL . 31.6 p90 -145.01 156.34 43.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 176.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -106.65 139.43 41.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.722 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -72.48 -6.39 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.707 -178.029 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.529 ' CG2' HD21 ' A' ' 132' ' ' LEU . 5.7 p -87.56 -39.16 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.04 0.448 . . . . 0.0 110.397 173.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' CD ' ' HG1' ' A' ' 96' ' ' THR . 5.0 mp0 -94.8 99.93 11.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -65.55 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.7 -52.81 63.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.728 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.9 p -62.78 -30.6 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.3 -46.31 80.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -68.83 -33.67 74.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.8 63.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.457 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 p -55.38 -44.67 76.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 111.536 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -32.87 70.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.743 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -68.44 -39.36 81.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.386 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.1 m-85 -58.31 -46.92 85.22 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.25 -49.56 71.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.048 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.92 -35.32 80.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.736 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.5 mt -64.03 -45.91 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.056 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.8 mp -67.51 -6.92 21.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -78.41 -33.08 48.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.03 0.443 . . . . 0.0 110.447 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.479 HG21 ' HG2' ' A' ' 115' ' ' LYS . 31.2 m -114.55 -6.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.176 -177.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 18.0 mmmt -134.27 116.19 15.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.715 -176.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.81 -67.07 0.4 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.792 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.43 37.5 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.181 0.515 . . . . 0.0 110.779 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.2 -154.39 0.12 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.306 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.05 -80.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.5 mmtm -159.55 125.06 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.7 mt -81.0 109.35 13.17 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-O 120.807 0.337 . . . . 0.0 110.708 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -94.71 119.07 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 123.358 2.706 . . . . 0.0 112.565 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 91' ' ' LEU . 5.4 mp -113.8 144.8 42.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.222 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.71 HD11 ' HG2' ' A' ' 153' ' ' GLN . 8.2 tp -136.2 119.79 17.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.776 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.57 116.64 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.156 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' A' ' 92' ' ' VAL . 33.7 t -108.96 110.6 32.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.489 -176.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.07 111.18 3.63 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.567 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 5.0 p30 -106.77 168.75 8.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.555 0.217 . . . . 0.0 111.1 -176.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HD3' ' OD1' ' A' ' 128' ' ' ASN . 2.5 mptm? 72.83 31.55 1.56 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.958 0.786 . . . . 0.0 111.828 177.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.2 m -65.08 0.1 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.975 -0.453 . . . . 0.0 111.136 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 129' ' ' LYS . 5.1 p-10 -90.17 -0.12 57.46 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.74 -42.97 10.39 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.596 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 57.52 -77.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.117 0.967 . . . . 0.0 113.223 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.96 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.66 12.41 14.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.727 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.722 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 50.6 ttp180 -65.63 113.94 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 0.0 110.686 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -91.7 -30.43 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.406 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.1 118.57 45.86 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.98 121.26 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 111.418 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -68.08 -15.92 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -173.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.33 -46.93 86.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.591 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.78 -27.47 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.424 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -65.35 -30.3 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.304 0.573 . . . . 0.0 110.593 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 73.5 mtp180 -71.74 -36.95 70.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.285 178.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 23.2 t -78.76 -22.52 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.12 0.962 . . . . 0.0 108.698 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 146' ' ' LYS . 13.8 tppt? -65.46 -46.46 79.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.763 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.604 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -62.36 -36.96 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.084 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 145' ' ' SER . 34.3 tt0 -57.78 -38.78 76.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.334 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.07 -35.45 80.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.115 0.483 . . . . 0.0 110.774 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -88.81 -8.35 54.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.753 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.51 56.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.238 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.604 HG23 ' HB1' ' A' ' 147' ' ' ALA . 30.1 m -116.54 -177.24 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.0 110.963 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.8 pm0 -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.685 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -121.31 124.16 43.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.935 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 28.4 t -125.0 133.5 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -87.98 139.59 30.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.343 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 31.1 p -139.23 131.96 29.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.312 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.7 p -121.66 118.1 28.33 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.26 -10.1 59.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -64.11 -44.82 91.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.978 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.1 t -114.69 3.15 14.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 63.13 81.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.51 0.671 . . . . 0.0 110.643 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.57 -143.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.962 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -64.13 45.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.919 0.888 . . . . 0.0 112.21 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG21 ' A' ' 168' ' ' VAL . 60.4 t -68.31 -50.34 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 110.183 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.37 -29.38 70.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.902 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.33 -50.52 71.22 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.86 -175.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -59.91 -25.33 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -75.41 -52.17 11.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 70.6 m-85 -66.14 -43.14 87.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.16 -49.04 79.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.792 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.4 tp -63.8 -37.81 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.201 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 64' ' ' ILE . 68.9 mtm -63.4 -30.59 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.259 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.73 ' HD3' HD23 ' A' ' 57' ' ' LEU . 8.7 mmm180 -72.76 -37.97 67.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 175' ' ' GLU . 3.9 mm-40 -62.01 -35.91 79.94 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.668 174.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.63 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 78.8 mt -57.41 -48.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.108 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -67.48 -31.95 72.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.526 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 17.4 m -57.9 -41.4 82.51 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.299 0.571 . . . . 0.0 109.789 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 43.1 mmtt -73.88 -34.39 64.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.551 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 26.1 mmmt -72.7 -41.94 64.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.434 -176.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.409 -179.756 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.557 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.2 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.51 -27.34 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -55.89 -56.94 14.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.313 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.67 74.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.08 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.594 ' O ' HG13 ' B' ' 402' ' ' ILE . 48.7 mm -60.38 -55.26 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.576 0.227 . . . . 0.0 110.543 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.31 -41.72 94.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.603 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.4 mt-10 -61.9 -39.77 93.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.709 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.5 ' HB3' HD13 ' B' ' 439' ' ' LEU . 5.1 tp10 -72.13 -40.15 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.641 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 398' ' ' ILE . 69.9 mt -53.87 -47.13 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.39 -46.29 76.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.09 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.47 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 43.7 ttm105 -63.08 -42.49 99.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.881 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.574 ' NE2' HG23 ' B' ' 432' ' ' VAL . 15.3 mm100 -71.97 -35.99 69.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.91 -43.18 98.92 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.29 -49.45 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.658 ' HB2' HG22 ' B' ' 432' ' ' VAL . 92.5 mt -60.4 -44.43 95.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.64 -45.66 91.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.466 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.96 -49.8 72.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.764 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.9 t -61.85 -56.0 23.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.795 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.432 ' O ' HD12 ' B' ' 416' ' ' LEU . 1.9 mm? -54.89 -33.11 61.67 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.461 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.602 ' CE1' ' HB2' ' A' ' 48' ' ' ALA . 4.6 m-70 -73.13 -49.18 29.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.635 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -76.79 -38.37 54.12 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.605 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.9 -46.14 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.007 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.8 mp -70.66 -34.65 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 111.239 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.542 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 3.0 mt-30 -65.94 -10.58 40.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.8 1.67 66.97 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.007 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.24 18.01 35.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.362 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.38 117.53 54.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -135.16 147.21 49.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.652 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.9 t70 -148.34 161.49 41.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -27.47 68.56 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.733 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -66.03 -38.02 87.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.807 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.652 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 52.5 mmtt -68.47 -52.06 36.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.632 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.5 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.15 -43.39 91.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.603 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.3 mmt180 -66.19 -34.86 78.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.199 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.31 -50.98 61.79 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.727 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.694 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 8.1 m95 -67.19 -30.78 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.412 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.779 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 40.4 tt0 -64.33 -55.13 23.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.306 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' B' ' 408' ' ' LEU . 2.3 p -62.97 -34.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.108 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.5 -50.94 71.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.622 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.779 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 1.0 OUTLIER -64.52 -29.95 70.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.636 0.255 . . . . 0.0 110.445 -177.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -75.75 -38.94 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.985 0.421 . . . . 0.0 110.294 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -61.73 -45.5 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.8 t -73.2 -30.07 63.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.027 0.441 . . . . 0.0 109.949 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.67 -39.25 80.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.003 174.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.566 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.1 OUTLIER -58.2 -43.48 87.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.671 176.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.99 -33.45 75.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.695 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -67.58 -42.53 82.39 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.577 ' HB3' HD13 ' B' ' 398' ' ' ILE . 14.6 mmmm -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.286 176.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.488 ' HA ' HG23 ' B' ' 398' ' ' ILE . 50.0 tp -62.12 -46.49 88.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 0.0 110.564 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.04 -2.84 56.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.67 -32.36 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.156 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.616 -178.499 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.728 0.299 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.5 -18.52 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.873 -175.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.95 121.53 33.62 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.482 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -129.39 134.05 47.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.781 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.638 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 11.1 mmpt? -96.74 106.82 19.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.25 108.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.158 0.504 . . . . 0.0 110.5 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.17 122.25 65.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.675 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 ttm -89.57 124.23 34.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG11 ' HZ ' ' A' ' 83' ' ' PHE . 19.0 t -98.5 128.72 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.979 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.64 157.6 10.08 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t -97.14 -90.51 0.26 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.491 0.645 . . . . 0.0 111.003 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 25' ' ' VAL . . . -117.51 -47.84 0.44 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.37 -176.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.49 38.45 1.22 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.442 -0.409 . . . . 0.0 113.016 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.597 ' HB ' HG12 ' A' ' 92' ' ' VAL . 35.8 m -126.88 -19.78 2.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.621 0.248 . . . . 0.0 111.102 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.17 77.37 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.432 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 23.5 pttm -79.1 -21.72 46.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' HD21 ' A' ' 32' ' ' LEU . 72.4 m -68.61 -34.05 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.018 0.437 . . . . 0.0 110.239 175.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.18 -34.07 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.27 -41.1 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.625 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.6 p -68.77 -32.53 72.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.18 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 3.7 mm? -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.307 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 80.1 mm-40 -60.65 -54.97 38.88 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.171 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -68.98 -24.33 64.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.9 -177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttm -83.1 -52.07 6.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.738 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -120.08 24.67 10.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t70 75.63 -56.55 0.6 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.827 0.704 . . . . 0.0 112.384 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -102.76 -173.97 2.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.326 0.584 . . . . 0.0 112.206 -172.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 58.9 t80 -75.23 138.63 42.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.807 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.597 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.1 p -56.46 130.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.628 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.23 -72.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.737 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.72 87.66 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.298 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -150.5 114.19 4.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.103 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.7 tp10 -102.56 -67.82 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.549 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 37.1 Cg_exo -11.44 -79.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 125.121 3.881 . . . . 0.0 115.119 -161.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 12.2 p 51.64 11.43 0.13 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -88.5 -56.58 3.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.307 0.575 . . . . 0.0 111.444 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -124.24 -10.42 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.972 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -98.73 118.11 34.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 p -133.79 163.0 30.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 80.6 t80 -139.24 130.67 27.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 2.4 ptp180 -82.51 129.7 34.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.473 0.654 . . . . 0.0 111.177 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -101.15 131.43 47.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.252 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 38.1 ttmt -101.85 130.64 48.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 110.351 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.0 m -135.73 166.95 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.4 p -145.7 118.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.663 0.744 . . . . 0.0 111.295 174.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.87 106.09 11.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.063 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.84 67.6 0.61 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.186 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.42 -78.29 0.25 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 115.73 166.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 pt-20 -84.54 131.34 34.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.955 0.377 . . . . 0.0 111.776 -166.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.84 118.24 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 2.1 t -105.65 136.7 38.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 -169.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -113.66 117.9 32.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.104 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 11.5 tt -121.43 121.54 64.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 110.723 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 31.7 m-20 -97.34 125.31 41.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.9 mm -107.74 118.87 56.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.291 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.79 109.87 19.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -77.6 106.31 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' A' ' 79' ' ' ARG . 17.2 p -73.81 108.71 6.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.449 -173.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 124.03 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.12 72.19 0.47 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.36 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 75' ' ' TYR . 1.6 pt? -128.34 -175.18 3.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.6 -30.63 70.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.75 -81.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.732 0.777 . . . . 0.0 110.608 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.485 ' HB2' HD22 ' A' ' 72' ' ' LEU . 86.7 m-85 -82.26 91.12 6.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.45 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.85 -32.76 10.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.479 0.657 . . . . 0.0 109.568 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.772 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.51 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.3 mt -69.75 -22.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.647 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HA ' ' HB ' ' A' ' 69' ' ' THR . 34.6 ttp180 -91.86 -65.11 1.03 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.137 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -58.96 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.775 HD21 ' HB3' ' B' ' 416' ' ' LEU . 93.8 m-20 -57.58 -33.73 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.1 m-85 -68.4 -21.57 64.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' HZ ' HG11 ' A' ' 20' ' ' VAL . 14.9 m-30 -64.54 -21.54 66.72 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.613 ' HB3' ' HG2' ' B' ' 426' ' ' GLU . 3.0 tmm_? -59.75 -50.03 75.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.89 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -89.37 20.98 3.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.918 0.389 . . . . 0.0 111.727 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.13 -170.7 44.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.648 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 4.2 tp10 -157.92 -67.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 135.37 12.39 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.47 134.32 46.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 0.0 111.595 -175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 124' ' ' LEU . 93.3 mt -103.22 119.64 39.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.657 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.96 107.17 19.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.597 HG12 ' HB ' ' A' ' 25' ' ' VAL . 6.5 p -107.78 141.3 23.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.941 0.4 . . . . 0.0 111.048 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -153.54 168.74 25.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.444 175.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 34.2 t -106.14 140.38 39.2 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 130' ' ' SER . 0.2 OUTLIER -78.59 6.35 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.447 0.641 . . . . 0.0 110.855 -178.131 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.853 HG23 HD21 ' A' ' 132' ' ' LEU . 75.7 p -119.88 -22.43 6.78 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.606 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.631 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 1.2 mp0 -94.64 95.28 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.674 175.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.83 -24.52 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.488 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -55.81 -50.22 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.516 0.674 . . . . 0.0 110.027 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -67.28 -35.18 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.351 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.08 -40.32 95.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -70.76 -28.79 64.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.395 0.617 . . . . 0.0 110.648 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.83 -15.29 59.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.224 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -45.6 67.04 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 0.0 111.611 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.41 92.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.52 -38.94 89.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.2 m-85 -57.34 -51.6 68.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 110.248 177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 108' ' ' ARG . 37.5 ttt180 -66.03 -44.23 85.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.744 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.39 -33.89 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.67 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.0 mt -64.64 -48.38 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.315 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 9.7 mp -68.75 -13.18 62.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.766 0.317 . . . . 0.0 111.087 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -78.74 -31.72 46.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' HG2' ' A' ' 115' ' ' LYS . 33.8 m -105.25 -25.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.754 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG2' HG22 ' A' ' 114' ' ' VAL . 21.9 mmmt -98.32 -94.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 112' ' ' LEU . . . 64.18 -71.22 0.07 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.59 34.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 111.228 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 13.6 mm-40 -98.1 -168.57 1.68 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.1 -177.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -79.36 -72.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.546 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 75.3 mmtt -142.75 140.54 31.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.6 mt -109.05 97.22 23.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.787 0.327 . . . . 0.0 110.225 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 17.0 Cg_exo -67.2 121.08 8.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.068 2.512 . . . . 0.0 111.474 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -127.29 124.19 38.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.973 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 153' ' ' GLN . 12.7 tp -126.92 118.68 25.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.907 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.59 127.47 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.928 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.38 110.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.585 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.83 114.39 4.26 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.529 HD21 HG22 ' A' ' 92' ' ' VAL . 12.7 m-80 -107.54 158.03 17.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HZ3' HD13 ' A' ' 132' ' ' LEU . 43.3 tttm 68.55 56.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.892 169.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.582 ' HA ' HD13 ' A' ' 95' ' ' ILE . 16.3 m -76.28 4.34 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.008 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -12.84 61.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.853 HD21 HG23 ' A' ' 96' ' ' THR . 7.0 mp -70.17 -46.14 65.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 62.33 -77.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.016 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.72 -21.16 63.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.175 0.512 . . . . 0.0 110.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.811 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.8 mtp180 -94.67 21.86 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.44 113.17 2.05 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -91.52 -35.74 14.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.194 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.32 126.61 28.09 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.097 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.95 116.64 3.4 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.112 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.583 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -73.17 -13.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.171 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.11 -48.56 78.33 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.478 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.84 -24.45 52.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.88 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.199 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -64.73 -36.24 83.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.366 0.603 . . . . 0.0 109.546 174.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 22.9 t -66.51 -18.07 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.967 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 7.2 mmpt? -72.33 -40.99 67.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 110.035 175.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -63.84 -40.92 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.458 0.647 . . . . 0.0 109.464 174.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 27.5 tt0 -58.68 -48.7 80.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.457 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.3 -42.91 92.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.683 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -92.59 -5.56 51.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.485 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.39 41.41 20.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.039 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.62 -170.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.53 0.205 . . . . 0.0 110.591 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.692 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.6 pm0 -106.47 159.55 16.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.881 177.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 66.3 t80 -129.18 125.41 36.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.649 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.31 121.67 56.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.384 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.08 134.93 33.79 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 40.9 p -138.34 158.16 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.955 0.407 . . . . 0.0 111.548 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -138.49 135.22 34.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.15 3.61 20.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -82.72 -49.6 9.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.5 p -92.96 -18.62 22.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.417 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 65.25 20.81 11.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.438 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.57 122.76 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.401 ' HB2' HG23 ' A' ' 157' ' ' THR . 90.3 m-20 70.39 0.55 3.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.285 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 157' ' ' THR . 98.1 t -64.92 -49.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.43 -29.06 69.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -57.08 -50.08 73.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.331 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 165' ' ' VAL . 32.1 m -58.74 -27.74 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.95 -49.44 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.017 0.437 . . . . 0.0 110.383 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.98 -47.21 78.36 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.281 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -51.56 69.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 176' ' ' ILE . 28.8 tp -60.48 -42.29 95.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.459 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.8 mtm -61.98 -40.08 94.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.113 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.426 ' HD3' ' HD2' ' A' ' 177' ' ' ARG . 7.0 mmt180 -65.03 -40.86 95.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.793 178.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.65 -42.7 88.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 172' ' ' LEU . 78.5 mt -58.47 -34.84 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.472 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.426 ' HD2' ' HD3' ' A' ' 174' ' ' ARG . 29.3 mtp-105 -60.51 -41.43 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 110.11 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.9 m -63.57 -32.08 73.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.449 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.546 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 2.5 mptp? -69.42 -40.78 77.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.719 0.295 . . . . 0.0 110.702 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -71.36 -35.17 71.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 175.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.428 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 85.9 mt-30 -63.23 -32.48 73.89 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.44 72.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.13 95.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.054 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 394' ' ' THR . 47.6 mm -61.58 -51.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.518 0.199 . . . . 0.0 110.547 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 98.9 mttt -61.76 -38.79 89.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.454 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.937 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.635 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 17.1 tp10 -67.94 -37.54 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.565 HG12 ' HB3' ' B' ' 439' ' ' LEU . 73.8 mt -53.91 -50.41 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.592 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.0 mtp180 -54.62 -44.01 72.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.255 0.55 . . . . 0.0 110.614 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.635 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 57.8 ttt180 -63.82 -48.71 75.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.435 ' HB2' HD21 ' B' ' 436' ' ' LEU . 80.0 mm-40 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.491 ' HG3' HD23 ' B' ' 436' ' ' LEU . 46.3 mt-10 -63.66 -38.1 89.83 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.62 -48.26 72.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.62 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 87.3 mt -58.56 -47.4 84.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.618 HD21 HG13 ' B' ' 432' ' ' VAL . 2.9 tm? -68.01 -37.14 81.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.144 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.21 -33.1 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.835 0.35 . . . . 0.0 110.817 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.3 t -60.15 -51.33 70.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.264 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.525 HD22 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -55.39 -38.09 68.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 174.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.15 -39.81 93.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.828 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -76.56 -38.76 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.515 0.198 . . . . 0.0 111.142 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.78 -42.86 80.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.244 0.545 . . . . 0.0 110.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.775 ' HB3' HD21 ' A' ' 81' ' ' ASN . 86.7 mt -71.44 -30.6 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.144 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -65.47 -14.41 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.736 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.5 8.47 61.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.578 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.08 23.91 43.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.922 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.6 mt -121.74 141.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -152.42 146.58 25.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.312 0.577 . . . . 0.0 110.733 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.442 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 32.9 t70 -149.14 156.37 42.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.919 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.64 -33.96 66.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.951 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -31.4 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.021 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.454 ' HB3' HD21 ' B' ' 416' ' ' LEU . 33.8 mmtt -72.07 -55.62 7.04 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.846 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.647 ' HA ' HD12 ' B' ' 429' ' ' LEU . 6.7 mp0 -61.46 -42.46 98.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.437 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.37 -37.64 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.111 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.526 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.2 mmt180 -69.22 -33.4 73.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.414 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.709 HD13 HD12 ' B' ' 416' ' ' LEU . 24.8 mt -55.54 -57.3 12.51 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.538 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.412 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 93.3 m95 -65.88 -30.73 71.37 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 123.162 0.289 . . . . 0.0 111.024 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.534 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 9.3 tp10 -66.37 -56.65 10.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.555 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.626 ' HA ' HD13 ' B' ' 435' ' ' ILE . 7.1 p -65.88 -33.64 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.435 0.636 . . . . 0.0 109.887 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -56.35 -52.14 65.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.889 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -64.83 -28.61 69.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.028 0.442 . . . . 0.0 110.288 -176.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' B' ' 432' ' ' VAL . 56.7 mt -69.29 -51.87 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.074 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' B' ' 406' ' ' GLU . 2.7 tm? -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.871 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.526 HG23 ' HA ' ' B' ' 434' ' ' ARG . 14.0 t -67.53 -34.06 76.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.69 -177.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.2 76.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.947 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.565 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.1 mp -63.99 -44.56 92.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.41 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -61.22 -34.1 74.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.183 0.515 . . . . 0.0 109.895 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -68.21 -45.07 74.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.423 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.0 mmmm -63.53 -28.65 70.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.478 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 48.9 tp -63.71 -42.24 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 110.067 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -82.69 -4.31 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.47 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.9 tp10 -88.62 -38.0 15.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.164 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.836 -179.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--O 1.236 0.379 0 CA-C-O 120.655 0.264 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -102.68 4.95 38.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.251 0.548 . . . . 0.0 111.199 -174.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 tp -129.29 128.41 43.14 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.572 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 80.4 m-70 -135.52 139.52 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.47 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.725 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -129.21 106.86 9.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 173.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.0 131.59 57.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.977 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -107.06 124.85 63.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.534 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 55.3 ttm -95.89 126.44 41.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 111' ' ' ILE . 25.9 m -95.39 169.3 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.923 0.392 . . . . 0.0 111.094 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.87 27.88 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.878 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.4 m -133.08 -61.75 0.82 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.922 0.391 . . . . 0.0 110.298 -176.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.74 -131.22 7.26 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.955 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.44 68.76 0.27 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.131 -175.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.602 ' HA ' ' OG ' ' A' ' 94' ' ' SER . 27.5 m -83.31 5.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.157 0.504 . . . . 0.0 111.066 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.15 18.89 76.92 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.681 -0.69 . . . . 0.0 113.699 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 40.6 pttt -66.88 -41.71 86.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -173.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 m -62.83 -18.38 62.73 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.737 0.303 . . . . 0.0 111.325 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.41 65.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 111.429 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.91 -41.17 83.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.336 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.58 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 23.7 p -67.03 -37.35 83.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.578 HD21 HG22 ' A' ' 40' ' ' VAL . 19.8 tp -65.83 -40.33 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.605 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -75.13 -6.42 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.937 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' HD2' ' HE1' ' A' ' 35' ' ' MET . 60.0 t80 -67.99 -41.37 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.975 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.598 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 1.8 pmm? -119.65 -32.21 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.84 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.597 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 82.4 m-85 -86.27 -32.42 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.151 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 71.39 -0.48 3.1 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.292 0.568 . . . . 0.0 111.495 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 12.4 pt-20 -99.02 157.81 16.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 148.27 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG22 HD21 ' A' ' 32' ' ' LEU . 36.5 t -71.57 101.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 0.0 110.97 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.52 -32.84 6.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.712 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -130.89 83.62 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' HB3' HG13 ' A' ' 40' ' ' VAL . 4.9 t80 -176.15 91.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 4.0 mp0 -89.64 -59.27 0.24 Allowed Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.382 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 52.0 Cg_endo -67.46 152.65 78.4 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.146 1.897 . . . . 0.0 112.926 -175.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.511 HG21 ' HB3' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -156.88 30.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 78' ' ' ILE . 54.9 mtmt -85.7 -48.22 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.601 -176.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.34 12.61 9.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.777 0.799 . . . . 0.0 109.465 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.7 m-20 -90.46 84.73 6.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.491 -174.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.525 ' HG ' ' NE2' ' B' ' 433' ' ' GLN . 4.5 p -97.56 155.34 17.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.782 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -144.86 143.2 30.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.132 -178.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 31.7 ttm180 -125.21 150.11 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -172.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.598 ' HD3' ' HB2' ' A' ' 35' ' ' MET . 53.9 tptt -136.56 138.21 41.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.57 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 36.2 ttmt -98.56 124.34 43.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.8 m -133.92 147.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -123.36 123.95 68.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.22 0.533 . . . . 0.0 110.558 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.91 95.99 5.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.075 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.59 22.91 3.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.66 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.18 -111.0 0.27 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.536 -1.316 . . . . 0.0 114.15 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 pt-20 -104.35 159.14 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -175.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 69.4 mt-10 -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 13' ' ' ALA . 12.6 t -106.45 142.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.32 117.73 33.29 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.142 0.496 . . . . 0.0 110.708 -176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.639 HD12 ' SD ' ' A' ' 173' ' ' MET . 14.6 tt -105.56 124.97 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.072 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.725 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 30.3 t70 -109.75 121.36 45.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.304 -175.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.7 mm -107.82 127.07 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.12 0.486 . . . . 0.0 111.96 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.4 tp -123.4 134.9 53.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.444 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.511 ' HB3' HG21 ' A' ' 46' ' ' THR . 42.3 t0 -112.66 146.45 38.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 p -98.87 154.5 17.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.01 122.24 42.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.818 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.878 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -85.47 63.76 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.856 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -130.93 174.78 9.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 -177.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -103.27 3.41 35.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.032 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.494 ' HB2' HD23 ' A' ' 72' ' ' LEU . 14.6 m-20 -83.58 -82.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.426 ' CB ' HD11 ' A' ' 78' ' ' ILE . 97.0 m-85 -75.84 71.21 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.229 -177.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -26.67 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.18 0.514 . . . . 0.0 110.634 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.732 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.45 -19.04 65.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 1.01 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 81.9 mt -98.95 -34.49 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -83.28 -66.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.417 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.83 -49.31 16.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.656 -174.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.732 HD21 ' HA ' ' A' ' 77' ' ' ALA . 87.4 m-20 -76.53 -17.52 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.828 -166.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 1.01 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.3 m-85 -84.67 -12.83 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.884 -0.51 . . . . 0.0 111.631 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -67.44 -16.91 64.48 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.872 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -61.95 -65.88 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.601 0.239 . . . . 0.0 111.605 -172.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.7 m -81.65 23.49 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.17 140.23 14.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.491 174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.798 ' HG3' HD13 ' A' ' 176' ' ' ILE . 12.5 pt-20 -91.98 -37.0 13.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.683 0.241 . . . . 0.0 111.202 -175.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.18 153.25 20.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.053 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HB2' HD22 ' A' ' 123' ' ' LEU . 96.6 m-85 -130.09 136.49 49.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 111.14 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.7 mt -108.94 123.39 49.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.47 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.3 107.13 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.46 139.71 49.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.619 0.247 . . . . 0.0 110.719 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.31 161.71 41.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.173 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -90.86 138.98 31.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.677 176.165 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -0.97 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 111.498 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.881 HG22 HD12 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -86.92 -26.29 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 174.02 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -97.17 101.03 12.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.088 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.4 -23.39 63.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.877 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.64 -41.59 79.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.638 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.1 m -64.86 -32.41 74.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 110.55 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' HB2' HG23 ' A' ' 138' ' ' VAL . 58.1 t80 -64.48 -42.6 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.46 62.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.243 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.0 p -55.07 -44.72 75.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.099 0.476 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.41 -35.78 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.07 -50.28 74.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.275 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.546 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.6 m-85 -57.56 -48.86 78.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.944 177.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -55.41 -57.12 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.166 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.54 -27.17 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.895 -175.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.82 -35.06 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -65.43 -47.76 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.252 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.9 mp -70.22 -14.76 62.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.447 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -70.72 -29.88 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.174 0.511 . . . . 0.0 109.896 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.441 HG22 ' HG2' ' A' ' 115' ' ' LYS . 17.4 m -110.37 -5.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.615 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.872 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 7.6 mmmm -138.32 94.17 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.117 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.75 -36.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.31 3.64 34.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.422 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.66 ' HG3' ' CE ' ' A' ' 115' ' ' LYS . 5.4 mm-40 -78.81 175.36 10.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.575 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.602 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -68.48 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.834 -0.166 . . . . 0.0 111.228 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.602 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 42.1 mmtm -134.67 146.0 49.09 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.2 mt -120.73 91.63 47.41 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-O 121.037 0.446 . . . . 0.0 110.223 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.641 ' HG2' HG12 ' A' ' 176' ' ' ILE . 9.0 Cg_exo -72.23 134.6 23.26 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.132 2.555 . . . . 0.0 111.748 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 89' ' ' PHE . 82.9 mt -129.32 137.04 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.862 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.643 HD12 ' HG2' ' A' ' 153' ' ' GLN . 3.2 tp -132.49 122.1 24.36 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 124' ' ' LEU . 17.8 t -92.28 123.9 44.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.86 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 36.6 t -117.99 125.62 74.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.373 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 123.12 7.02 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -120.82 167.43 12.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.084 0.442 . . . . 0.0 110.653 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.571 ' HE3' HD21 ' A' ' 132' ' ' LEU . 44.6 tptt 67.42 36.67 3.76 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.638 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -77.06 1.33 18.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.88 10.77 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.51 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.881 HD12 HG22 ' A' ' 96' ' ' THR . 12.8 mt -91.26 -41.37 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 50.73 -64.26 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.654 1.582 . . . . 0.0 114.601 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' LEU . 12.3 pt-20 -72.18 -25.9 61.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 -175.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.8 mtp180 -91.9 25.26 2.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.007 -177.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -66.28 112.45 3.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.802 0.335 . . . . 0.0 110.292 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -106.44 -20.8 13.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.931 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 101' ' ' PHE . 69.9 t -111.19 117.83 48.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.291 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 118.73 5.62 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.923 1.748 . . . . 0.0 109.645 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.677 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -61.16 -21.57 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.94 -174.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.98 -40.68 81.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 110.06 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.06 -41.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.227 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.418 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -60.86 -47.91 84.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.718 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 22.8 mtm180 -61.73 -37.58 84.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.713 176.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -59.13 -44.28 92.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.543 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -62.05 -42.99 99.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.641 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -58.7 -48.62 80.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.054 0.454 . . . . 0.0 110.82 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.29 -38.34 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.646 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.214 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.37 -7.4 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.737 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.12 42.89 34.82 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.455 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -125.53 -176.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.734 0.302 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.2 pm0 -101.6 154.42 18.88 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 69.4 t80 -132.04 126.25 33.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.1 131.03 68.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 0.0 110.572 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.67 127.49 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.068 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -137.91 165.02 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.826 -177.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.7 m -158.29 131.04 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.88 -5.85 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.919 0.39 . . . . 0.0 111.614 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -88.22 -15.41 35.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.505 0.669 . . . . 0.0 109.874 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.5 p -113.85 -31.07 6.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 68.78 78.14 0.22 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.6 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.71 136.14 19.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.629 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.466 ' HB2' HG22 ' A' ' 157' ' ' THR . 93.3 m-20 65.8 12.7 8.52 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.76 0.663 . . . . 0.0 112.089 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.72 -47.31 77.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.868 0.366 . . . . 0.0 110.595 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.4 -24.55 54.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.366 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -57.62 -46.39 84.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.294 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.92 -34.31 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.936 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -69.98 -56.29 7.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.907 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -63.73 -31.75 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.45 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.63 -51.01 68.96 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.018 0.437 . . . . 0.0 110.611 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 122' ' ' PRO . 31.1 tp -68.0 -39.03 83.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.639 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.0 mtp -58.07 -31.29 66.93 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -44.18 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.362 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.08 -40.26 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.424 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.798 HD13 ' HG3' ' A' ' 87' ' ' GLU . 72.0 mt -58.49 -36.24 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.271 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 181' ' ' MET . 49.1 mtp85 -65.59 -45.99 81.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 21.8 m -61.3 -35.67 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.876 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.53 ' HG3' ' HG3' ' A' ' 120' ' ' LYS . 14.4 mptt -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.945 0.402 . . . . 0.0 110.51 174.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -65.56 -31.85 73.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.028 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 62.7 mtt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.686 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.479 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.8 t . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 111.319 0.118 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.457 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 47.0 mt-30 -53.8 -33.89 57.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.644 0.259 . . . . 0.0 110.905 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -58.8 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.78 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.73 85.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.276 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.52 ' O ' HG13 ' B' ' 402' ' ' ILE . 33.8 mm -58.09 -50.45 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 110.646 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.0 mttt -58.55 -44.44 89.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.242 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 14.3 mm-40 -63.32 -40.32 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.395 . . . . 0.0 110.565 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.77 -46.14 79.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.133 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.663 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.37 -53.51 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.647 174.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 61.3 mtp180 -58.7 -34.09 70.91 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -62.98 -53.0 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.654 HE21 HG23 ' B' ' 432' ' ' VAL . 15.1 mm100 -70.42 -27.7 64.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 -175.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 52.7 mt-10 -61.28 -36.06 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.03 -46.88 64.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.438 ' O ' HD21 ' B' ' 412' ' ' LEU . 6.6 mp -56.03 -48.76 75.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.54 0.209 . . . . 0.0 111.395 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.581 HD11 HG13 ' B' ' 432' ' ' VAL . 17.3 tp -62.17 -45.83 91.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -55.85 -43.18 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.897 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -60.76 -54.55 43.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.438 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.7 mm? -57.75 -40.02 78.72 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.438 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 20.5 m170 -60.29 -47.4 86.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -72.55 -50.71 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.05 -43.05 86.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 11.2 mp -73.33 -27.75 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 43.4 mt-30 -62.81 -26.24 68.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.972 0.415 . . . . 0.0 110.111 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.29 -6.17 60.82 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.725 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.73 36.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.523 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 37.6 mt -119.49 116.16 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.732 0.266 . . . . 0.0 110.306 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.523 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -144.04 168.3 20.32 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.403 0.62 . . . . 0.0 110.173 173.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.589 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 23.4 t70 -149.41 169.08 21.68 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.54 -29.02 69.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.177 0.444 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 -33.24 75.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.192 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.589 ' HE3' ' HB3' ' B' ' 422' ' ' ASP . 22.5 mmtp -73.18 -42.76 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.264 -176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.574 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 3.0 mm-40 -58.67 -48.13 82.12 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.898 -177.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.1 mm-40 -64.76 -48.39 74.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.622 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.526 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.0 mmt180 -64.7 -34.66 78.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' B' ' 429' ' ' LEU . 5.6 mt -56.07 -50.64 70.44 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.775 177.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 56.1 m95 -68.11 -32.14 72.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.779 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.903 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 41.8 mt-10 -67.77 -56.22 10.06 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.474 -177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.654 HG23 HE21 ' B' ' 405' ' ' GLN . 4.1 p -64.73 -34.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.325 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.525 ' NE2' ' HG ' ' A' ' 50' ' ' SER . 21.2 tp60 -56.98 -51.99 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.279 175.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.903 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.6 ptt180 -67.28 -29.66 69.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' B' ' 432' ' ' VAL . 59.0 mt -69.85 -40.9 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.063 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' B' ' 406' ' ' GLU . 25.8 tp -64.88 -43.84 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.82 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -67.0 -35.52 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.667 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -69.77 -35.47 74.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.226 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.695 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.6 OUTLIER -65.23 -44.02 89.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.813 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.91 -30.4 70.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.266 0.555 . . . . 0.0 109.562 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.3 tmt_? -66.32 -42.82 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.184 172.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.695 ' HD3' HD13 ' B' ' 439' ' ' LEU . 56.3 mtpt -57.61 -34.59 69.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.58 -44.37 96.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.628 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.698 ' HA ' ' NE ' ' B' ' 444' ' ' ARG . 1.8 mmp_? -83.08 -10.98 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -79.52 -22.01 44.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.324 0.583 . . . . 0.0 109.724 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.446 178.497 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -103.06 8.37 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 111.983 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.883 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 tp -129.87 103.55 6.87 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.426 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -103.57 134.87 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.328 -172.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.883 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.46 114.4 28.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.096 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.56 117.61 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.846 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.503 HG12 HD12 ' A' ' 67' ' ' LEU . 66.1 mt -107.14 130.97 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.014 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.446 ' HG2' HD13 ' A' ' 90' ' ' LEU . 83.4 mtp -107.13 112.75 25.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.888 0.375 . . . . 0.0 110.465 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.41 158.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.921 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -178.1 -161.23 25.85 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -93.07 8.39 40.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.979 0.419 . . . . 0.0 110.591 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.59 -47.62 1.02 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.156 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.1 -112.72 3.64 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t 72.76 -54.82 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.634 0.774 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.44 26.77 0.36 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.822 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HB3' HG23 ' A' ' 92' ' ' VAL . 16.4 pttp -78.41 -18.57 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.953 0.377 . . . . 0.0 111.95 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 m -77.6 -30.22 52.33 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.026 0.441 . . . . 0.0 110.524 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.95 -42.43 66.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.279 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.579 HD21 HD22 ' A' ' 128' ' ' ASN . 88.5 mt -58.0 -45.65 86.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.582 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.44 ' CG2' HG23 ' A' ' 66' ' ' ILE . 36.6 p -68.23 -40.9 81.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.332 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.25 -40.33 95.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.44 -33.85 76.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.24 -35.61 68.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.486 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -93.88 -51.57 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -98.66 -4.86 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 66.04 16.27 10.39 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.6 158.61 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.553 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -85.38 151.1 24.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.891 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.76 101.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.789 0.804 . . . . 0.0 112.325 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.44 -37.42 10.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.561 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.92 95.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.177 175.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -165.39 105.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -90.16 -66.21 0.15 Allowed Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.43 171.454 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 85.1 Cg_exo -18.91 78.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.37 1.663 1 C-N-CA 125.417 4.078 . . . . 0.0 115.165 -165.463 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.407 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 17.0 p -148.88 56.42 1.02 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.516 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.755 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -84.64 -60.18 2.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.008 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.94 -4.26 6.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 162.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.38 118.45 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.827 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m -147.3 160.93 41.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.97 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -113.7 141.47 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.021 -174.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -90.74 134.06 34.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.203 0.525 . . . . 0.0 111.095 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -98.92 141.14 32.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.103 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -108.99 121.85 46.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.58 148.15 28.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.167 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -128.2 121.29 55.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.397 0.618 . . . . 0.0 110.616 176.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.96 96.87 6.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.394 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.9 75.6 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.913 0.758 . . . . 0.0 111.974 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.73 -117.92 0.9 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.571 -1.299 . . . . 0.0 114.429 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 56' ' ' VAL . 7.7 pt-20 -99.0 151.2 21.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.489 0.185 . . . . 0.0 110.95 -171.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.03 115.99 5.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.894 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.54 HG11 ' HA ' ' A' ' 13' ' ' ALA . 17.2 t -106.44 138.76 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.878 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.267 0.556 . . . . 0.0 110.623 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.468 HD11 ' SD ' ' A' ' 173' ' ' MET . 6.3 tt -121.35 118.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -90.61 129.34 36.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.664 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 HG23 ' CG2' ' A' ' 31' ' ' THR . 29.2 mm -107.89 151.39 9.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.503 HD12 HG12 ' A' ' 18' ' ' ILE . 29.0 mt -130.34 103.92 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.737 0.303 . . . . 0.0 110.763 171.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.565 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.6 t0 -86.37 85.66 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 171.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -71.19 139.01 50.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.323 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.074 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.4 77.67 1.81 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.395 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -146.34 168.45 21.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.48 -17.12 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.216 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.467 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 4.8 m-20 -78.3 -77.83 0.15 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.239 0.542 . . . . 0.0 111.581 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.23 61.27 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.842 -171.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -20.18 66.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.3 0.571 . . . . 0.0 110.103 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.774 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.06 -6.02 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.621 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 47' ' ' LYS . 72.0 mt -101.38 -35.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -91.12 -66.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.472 0.653 . . . . 0.0 110.402 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.9 -38.93 66.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.557 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.774 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 4.3 t-20 -77.08 -17.9 58.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.224 -173.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.483 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.9 m-85 -91.83 -14.11 30.29 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -58.58 -18.73 32.31 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 17.1 mmt180 -50.98 -68.89 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -86.87 32.77 0.66 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.067 0.46 . . . . 0.0 110.958 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.94 130.23 10.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.548 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.436 ' OE1' HG23 ' A' ' 176' ' ' ILE . 10.2 mm-40 -91.15 -81.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.775 0.43 . . . . 0.0 110.568 177.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.7 144.71 17.45 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.347 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.78 128.66 49.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.0 mt -98.83 113.6 25.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.8 176.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD12 HG21 ' A' ' 125' ' ' VAL . 33.1 mt -89.6 106.4 18.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.727 HG23 ' HB3' ' A' ' 27' ' ' LYS . 21.8 m -110.6 122.92 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.51 0.671 . . . . 0.0 111.337 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -137.74 154.93 49.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.355 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.953 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 38.4 t -91.67 145.36 24.65 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.721 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.87 -0.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.365 -178.417 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 135' ' ' ARG . 20.3 p -98.81 -20.76 16.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.066 0.46 . . . . 0.0 110.708 172.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.953 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 21.2 mm-40 -91.22 91.04 8.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.05 0.452 . . . . 0.0 110.615 -174.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -66.54 -32.28 73.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.78 -48.05 83.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.961 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.2 m -64.27 -30.5 71.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.211 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CG ' HG21 ' A' ' 138' ' ' VAL . 86.9 t80 -66.52 -47.08 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.4 m -65.43 -28.19 69.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 0.0 110.731 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.99 -17.81 63.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.297 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 74.9 p -61.58 -33.04 73.18 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 111.332 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.32 83.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.851 0.358 . . . . 0.0 110.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.94 -37.44 72.87 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.887 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.3 m-85 -57.11 -47.91 79.94 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' HD11 ' A' ' 112' ' ' LEU . 65.9 ttt180 -55.44 -53.75 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 177.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.499 ' HB3' ' NH2' ' A' ' 113' ' ' ARG . 49.1 mt-10 -64.94 -46.07 83.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.131 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.461 ' NE2' ' HE ' ' A' ' 113' ' ' ARG . 7.5 tp-100 -61.5 -36.78 81.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.652 0.263 . . . . 0.0 111.02 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.62 -44.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.819 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.424 ' HG ' HD13 ' A' ' 121' ' ' ILE . 9.6 mp -71.85 -26.94 62.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.628 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 109' ' ' GLU . 24.9 ttm-85 -64.51 -24.36 67.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.93 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -110.57 2.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.251 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.516 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 52.8 mttm -126.38 -104.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.257 -176.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.07 5.44 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.42 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.39 21.76 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.291 0.567 . . . . 0.0 109.876 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.516 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 4.1 mm-40 -93.05 177.84 5.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.103 -172.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.32 -59.09 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 170.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.946 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 21.2 mmmt -157.91 110.36 2.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.424 HD13 ' HG ' ' A' ' 112' ' ' LEU . 51.6 mt -72.55 107.02 2.55 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.165 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 30.2 Cg_endo -93.53 113.19 0.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.46 2.773 . . . . 0.0 112.351 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.76 121.91 44.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -107.73 113.49 26.79 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 91' ' ' LEU . 15.5 t -83.9 116.31 27.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.806 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' A' ' 92' ' ' VAL . 50.1 t -117.3 116.79 53.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.016 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 108.56 3.57 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.12 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.579 HD22 HD21 ' A' ' 30' ' ' LEU . 7.8 t-20 -99.18 175.08 6.02 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 33.1 mmtp 65.6 24.87 11.68 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.569 0.543 . . . . 0.0 110.763 -175.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 t -62.13 -13.79 30.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.955 0.407 . . . . 0.0 110.697 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.53 -3.66 29.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.364 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.7 mt -77.48 -31.05 53.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 39.11 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.907 1.683 . . . . 0.0 115.208 -175.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' LEU . 8.8 mm-40 -82.52 -14.54 54.78 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.995 -0.441 . . . . 0.0 111.129 -171.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.657 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.68 -5.1 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.721 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -51.6 113.12 0.88 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.178 0.513 . . . . 0.0 110.825 -177.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -99.56 -27.2 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.192 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 95' ' ' ILE . 7.4 p -98.5 123.49 50.01 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.289 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.76 112.79 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.424 2.083 . . . . 0.0 111.106 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.3 p -77.28 -13.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.65 -171.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.29 -47.73 66.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.1 -26.6 65.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 110.139 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 173.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtp180 -70.47 -42.07 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 175.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.7 t -55.89 -46.39 78.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.647 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.439 ' HZ3' ' CD ' ' A' ' 149' ' ' GLU . 30.7 mmtm -59.7 -34.92 73.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.589 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.02 98.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.213 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.43 -37.31 86.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.234 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.439 ' CD ' ' HZ3' ' A' ' 146' ' ' LYS . 40.5 mt-10 -69.24 -39.62 78.38 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.138 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -82.61 -18.05 42.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.943 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.43 39.79 8.16 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.739 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.97 -174.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -112.63 156.56 22.51 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.988 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -127.89 126.29 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.015 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 23.4 t -133.47 132.93 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.498 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -86.47 137.76 32.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -128.06 140.92 51.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.018 0.437 . . . . 0.0 110.906 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.454 ' HB2' ' HB1' ' A' ' 163' ' ' ALA . 50.8 m -119.43 107.21 13.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.928 176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.75 -9.05 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.029 0.442 . . . . 0.0 110.394 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.94 -31.31 64.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.3 t -145.89 11.99 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.507 ' HD2' ' O ' ' A' ' 162' ' ' ARG . 4.5 tmm_? 61.73 80.6 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.189 -174.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 158' ' ' SER . . . -124.6 120.11 30.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.717 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.76 7.17 6.12 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.13 0.894 . . . . 0.0 111.473 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.72 -48.78 79.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.497 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.72 -43.95 97.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.863 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 171' ' ' ASP . 2.5 tmmm? -56.2 -52.64 63.67 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.678 -172.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.98 -32.81 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -68.34 -46.81 69.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.736 0.303 . . . . 0.0 110.769 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 75.9 m-85 -69.34 -40.58 77.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.691 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.438 ' HB2' ' HD2' ' A' ' 167' ' ' LYS . 21.5 t70 -59.08 -51.42 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.0 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.78 -36.57 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.655 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.468 ' SD ' HD11 ' A' ' 64' ' ' ILE . 59.3 mtm -63.52 -29.69 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 30.9 mmm-85 -69.15 -40.17 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.08 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 29.0 mt-10 -64.13 -37.13 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.501 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.436 HG23 ' OE1' ' A' ' 87' ' ' GLU . 79.9 mt -56.26 -54.29 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.95 -35.81 77.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 41.4 m -73.55 -42.96 61.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.147 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.946 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -70.48 -33.42 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.8 -35.51 72.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.98 0.419 . . . . 0.0 109.872 175.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.047 0.451 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 96.7 mt-30 -59.44 -28.25 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.294 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.83 -49.86 75.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 0.0 110.073 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.22 -40.33 87.79 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.856 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.606 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.31 -52.84 47.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.591 0.23 . . . . 0.0 110.958 177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.4 mttt -59.44 -40.8 87.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.83 -40.08 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.806 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.8 mt-10 -76.45 -30.43 57.35 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.665 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.732 HG12 ' HG ' ' B' ' 439' ' ' LEU . 62.5 mt -61.45 -53.3 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' B' ' 404' ' ' ARG . 0.0 OUTLIER -62.71 -28.62 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.681 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.59 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 40.0 ttm180 -62.44 -52.08 64.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.373 174.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.428 ' HB2' HD22 ' B' ' 436' ' ' LEU . 70.6 mm-40 -70.81 -32.69 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 71.7 mt-10 -61.31 -44.01 97.93 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.95 -45.83 80.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 67.7 mt -59.7 -52.32 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.611 HD12 HG12 ' B' ' 432' ' ' VAL . 57.9 tp -64.9 -32.25 73.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.19 -45.16 94.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.39 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -61.13 -49.27 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.014 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.584 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.2 mm? -55.74 -35.74 66.51 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.436 175.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -72.48 -42.57 64.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.411 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 47.2 ttt180 -76.06 -53.58 8.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.676 -168.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.82 -37.31 79.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.359 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.599 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 9.1 mp -68.85 -27.32 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.364 -174.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 38.8 mt-30 -60.7 -27.21 67.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.318 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.4 13.1 42.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.252 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.37 3.05 87.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.036 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.1 mt -75.42 116.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -134.75 144.04 47.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.969 0.89 . . . . 0.0 112.24 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.53 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 17.1 t70 -149.89 171.73 16.31 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -33.36 68.98 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 118.746 0.703 . . . . 0.0 109.891 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.6 p -63.45 -37.34 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.516 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.649 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -69.61 -29.67 67.23 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.35 -174.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.649 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 0.9 OUTLIER -73.35 -49.39 27.6 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 109.899 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.4 mm-40 -65.81 -45.04 83.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.414 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.457 ' O ' HG13 ' B' ' 432' ' ' VAL . 15.8 tpt180 -67.07 -32.39 73.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 2.0 mt -55.34 -51.02 68.12 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.357 0.41 . . . . 0.0 110.218 177.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.434 ' O ' ' HB3' ' B' ' 433' ' ' GLN . 29.5 m95 -68.42 -42.71 78.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.793 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 53.7 mt-10 -58.22 -55.9 29.05 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.611 HG12 HD12 ' B' ' 409' ' ' LEU . 12.9 p -63.28 -34.07 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.8 tp60 -55.89 -51.09 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.919 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 14.3 mtp180 -64.85 -33.85 76.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.552 HD11 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -69.73 -50.08 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.817 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.513 HD13 ' HE2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.57 -41.57 81.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.5 t -71.81 -43.29 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.268 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.79 -34.38 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.279 0.561 . . . . 0.0 109.869 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.732 ' HG ' HG12 ' B' ' 402' ' ' ILE . 23.6 tp -70.12 -35.83 74.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.597 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.513 ' HE2' HD13 ' B' ' 436' ' ' LEU . 64.3 mttm -66.24 -35.51 80.6 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.291 0.567 . . . . 0.0 109.899 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -64.28 -41.74 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.507 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.1 mmmm -57.94 -32.92 68.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.152 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.588 ' HB2' HD12 ' B' ' 402' ' ' ILE . 65.6 tp -60.28 -48.36 82.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.421 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -81.09 -3.01 50.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -99.3 -28.29 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.523 -177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.28 -177.119 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 177' ' ' ARG . 91.2 mt . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.435 0.159 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.1 9.03 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.333 0.587 . . . . 0.0 111.09 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.52 127.69 41.29 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.43 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.76 152.24 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.377 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.847 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 1.8 tpmt? -128.18 131.66 48.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.918 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.75 137.3 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.927 0.394 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.5 mt -121.88 123.44 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.7 mmt -83.32 107.78 16.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.156 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.16 171.51 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.261 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.76 171.23 28.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.426 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -73.65 -57.68 3.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.235 0.541 . . . . 0.0 110.532 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.64 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -125.83 -61.28 0.16 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.916 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . 155.37 66.03 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.824 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -60.97 -40.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.59 56.81 0.33 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.694 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.916 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 10.6 mtpp -95.25 -74.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.768 0.318 . . . . 0.0 111.636 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.495 ' HB3' HG21 ' A' ' 46' ' ' THR . 1.1 m -70.39 -16.01 62.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.696 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.09 -52.12 21.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.871 0.367 . . . . 0.0 110.654 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.69 -36.46 84.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.532 -177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 35' ' ' MET . 34.5 p -71.52 -41.31 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.473 -177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HB ' ' A' ' 40' ' ' VAL . 29.9 tp -62.35 -35.97 80.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.819 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 44.4 mt-30 -66.65 -33.17 75.06 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.173 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.26 -27.46 62.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.372 0.606 . . . . 0.0 110.353 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 31' ' ' THR . 80.9 mtp -79.59 -61.26 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.938 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -101.95 -3.31 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' CG ' HH12 ' A' ' 162' ' ' ARG . 3.2 t70 67.42 16.43 10.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.484 0.659 . . . . 0.0 110.92 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.63 171.64 8.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.231 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -92.99 144.4 25.29 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.454 ' HB ' HD23 ' A' ' 32' ' ' LEU . 5.7 p -70.1 127.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.36 -66.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -140.74 110.56 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.048 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -147.53 115.12 6.36 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.67 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 35.6 tt0 -94.73 -65.58 0.11 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 87.5 Cg_exo -43.45 -92.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 123.417 2.745 . . . . 0.0 114.979 -163.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.902 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 7.8 p 53.02 21.79 2.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -86.11 -41.71 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.72 21.34 8.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.649 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.902 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.4 m-20 -82.63 77.62 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.535 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 49.8 m -92.1 147.15 23.16 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -140.57 126.29 19.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.497 . . . . 0.0 110.946 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -75.18 104.51 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -105.42 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.044 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -102.0 118.63 37.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.46 152.77 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.189 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -143.4 128.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.058 0.456 . . . . 0.0 110.84 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.97 96.11 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 35.42 75.0 0.06 Allowed 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.266 0.979 . . . . 0.0 112.488 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.22 -113.84 0.57 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' HG21 ' A' ' 56' ' ' VAL . 5.8 pt-20 -96.41 151.92 19.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.833 0.349 . . . . 0.0 111.571 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.99 112.42 12.4 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.12 142.69 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.192 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -113.17 121.29 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.554 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.49 136.22 61.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.847 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 13.9 t0 -118.15 136.4 53.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' SER . 69.9 mt -108.27 119.71 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.653 -171.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.645 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 20.0 tp -106.19 136.18 46.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.723 172.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -120.11 115.91 24.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 110.057 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.2 p -76.92 141.32 40.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.02 130.59 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.299 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.64 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.74 65.28 4.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.312 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.27 159.88 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.314 . . . . 0.0 111.049 -178.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.1 14.95 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' HB2' HD11 ' A' ' 72' ' ' LEU . 6.9 m-20 -90.52 -77.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.394 0.616 . . . . 0.0 111.24 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.507 ' H ' HD11 ' A' ' 72' ' ' LEU . 66.7 m-85 -76.49 75.26 3.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.366 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.68 -13.54 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.899 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.63 -15.95 63.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.073 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.69 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 42.6 mt -94.74 -27.35 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HE ' ' HG2' ' A' ' 110' ' ' GLN . 45.6 ttt180 -92.37 -65.77 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.493 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.43 -48.55 26.92 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.313 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.899 HD21 ' HA ' ' A' ' 77' ' ' ALA . 55.7 m-80 -67.91 -31.88 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.69 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.7 m-85 -82.18 -14.6 55.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.483 ' HB2' HG21 ' A' ' 114' ' ' VAL . 7.1 m-30 -67.4 -16.97 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CZ ' ' HG2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -52.91 -61.01 2.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.972 0.415 . . . . 0.0 111.138 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 m -87.23 19.58 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.704 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.86 130.79 10.47 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.258 -0.973 . . . . 0.0 111.969 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.645 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 30.1 mt-10 -98.59 -70.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.74 132.0 10.95 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.962 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.414 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.9 m-85 -119.86 121.34 38.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.052 0.453 . . . . 0.0 111.019 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 124' ' ' LEU . 95.8 mt -93.75 115.07 27.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.2 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 mt -92.88 106.27 18.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.759 HG13 ' HB ' ' A' ' 126' ' ' VAL . 17.0 m -109.74 132.22 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.221 0.534 . . . . 0.0 112.047 -173.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.05 152.18 43.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.764 . . . . 0.0 108.956 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 t -101.15 143.3 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.621 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -69.55 -1.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.463 ' CG2' HD21 ' A' ' 132' ' ' LEU . 22.3 p -87.54 -25.87 23.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.196 173.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -112.19 102.08 10.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.7 -24.52 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.325 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.23 -47.04 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.9 m -67.69 -20.04 65.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.21 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 45.4 t80 -70.67 -47.5 59.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -64.96 -31.89 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.373 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.06 -15.31 63.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.574 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.0 p -59.03 -35.57 73.53 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.079 0.466 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -38.26 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.047 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.08 -43.48 92.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.512 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.1 m-85 -57.41 -48.07 80.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.333 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -55.9 -53.34 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.87 -32.93 73.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.438 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.591 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 7.0 tp-100 -68.61 -30.83 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.2 mt -75.12 -43.93 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.392 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.59 -21.99 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.663 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 13.4 ttt85 -51.99 -43.96 63.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.957 174.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.483 HG21 ' HB2' ' A' ' 83' ' ' PHE . 11.6 m -99.15 -9.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 62.1 mttm -120.92 -99.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.909 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.39 -69.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.032 0.933 . . . . 0.0 112.594 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.9 22.1 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -170.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -85.65 -78.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.466 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -147.39 -95.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.024 -0.423 . . . . 0.0 111.225 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.594 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 75.4 mmtt -141.15 128.16 20.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.4 mt -104.83 99.32 18.27 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.373 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.645 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 14.9 Cg_exo -68.46 104.35 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.593 2.195 . . . . 0.0 111.703 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 89' ' ' PHE . 50.3 mt -100.44 143.01 31.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.485 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.611 HD13 ' HG3' ' A' ' 153' ' ' GLN . 7.0 tp -139.62 119.3 13.19 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.029 0.442 . . . . 0.0 110.054 176.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.41 ' N ' HD11 ' A' ' 124' ' ' LEU . 18.2 t -87.57 114.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.751 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.759 ' HB ' HG13 ' A' ' 92' ' ' VAL . 51.1 t -113.06 117.67 55.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.3 101.6 2.45 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.554 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 7.6 p30 -89.49 146.6 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.4 0.619 . . . . 0.0 111.703 -175.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.582 ' HG2' HD23 ' A' ' 132' ' ' LEU . 77.1 tttt 60.36 73.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.73 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 p -89.8 7.19 38.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.432 0.634 . . . . 0.0 109.365 171.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.61 -19.55 63.64 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -71.76 -49.4 39.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.126 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.88 -71.53 0.09 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 112.765 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.87 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.6 pt-20 -56.54 -36.17 68.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -171.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.87 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 94.6 mtt180 -96.19 27.42 3.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.895 -169.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.648 HH11 ' HB ' ' A' ' 140' ' ' VAL . 14.4 ttm180 -69.44 112.42 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.405 . . . . 0.0 109.933 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -92.98 -26.31 17.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.067 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 6.3 p -106.31 117.89 56.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.002 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.657 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 38.0 Cg_exo -59.72 111.49 0.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.112 1.875 . . . . 0.0 109.584 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.648 ' HB ' HH11 ' A' ' 136' ' ' ARG . 2.9 p -67.47 -10.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -167.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.22 -30.13 69.97 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.298 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.8 pt-20 -75.23 -22.66 57.74 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.648 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -73.7 -41.96 61.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.08 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.5 mtp180 -63.75 -34.85 78.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.995 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.5 t -55.91 -45.46 78.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.625 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.2 mmtt -69.98 -36.19 75.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.588 0.233 . . . . 0.0 111.223 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.3 88.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.34 -32.85 70.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.83 -42.95 99.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.014 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -92.31 -13.4 30.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.52 37.23 12.35 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.576 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.7 m -119.67 179.12 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.498 0.189 . . . . 0.0 110.629 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.611 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.4 pt20 -99.4 158.16 15.92 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.531 176.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -127.47 125.86 41.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.36 126.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.577 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.24 132.66 33.83 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 128' ' ' ASN . 20.7 p -116.9 130.08 56.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.063 0.459 . . . . 0.0 111.134 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.6 m -105.57 114.38 28.51 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -88.03 -13.84 40.56 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.407 -173.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.68 -40.0 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.213 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.8 p -100.43 -8.47 23.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.103 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.485 HH12 ' CG ' ' A' ' 37' ' ' ASP . 61.4 mtm180 58.99 70.7 0.63 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.774 -173.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.6 122.36 41.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.504 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 73.96 9.3 4.72 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.988 0.805 . . . . 0.0 111.347 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.63 -55.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.47 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.0 -35.33 74.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.246 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -56.96 -53.54 56.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.514 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.01 -28.75 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.78 -48.84 23.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.461 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.1 m-85 -70.04 -45.6 66.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.459 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -46.7 82.08 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.283 0.365 . . . . 0.0 110.963 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 176' ' ' ILE . 48.0 tp -61.5 -46.05 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 59.2 mtm -61.66 -30.55 70.8 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.575 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 15.6 mmt180 -65.53 -50.17 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.934 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 16.2 mt-10 -61.1 -36.09 78.75 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.366 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.6 mt -55.47 -40.91 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.207 0.317 . . . . 0.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.445 ' HB3' HD12 ' A' ' 12' ' ' LEU . 54.7 mtt180 -61.21 -44.46 97.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.088 0.47 . . . . 0.0 110.313 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.6 m -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.518 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 67.9 mmtt -67.11 -48.52 67.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.631 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 23.5 mtpp -67.53 -27.6 67.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.181 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.9 mtm . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.184 177.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.28 -28.9 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.72 -55.61 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.2 -40.43 94.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.957 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.439 ' O ' HG13 ' B' ' 402' ' ' ILE . 36.3 mm -56.85 -52.03 60.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.67 0.271 . . . . 0.0 110.769 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.11 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.937 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -62.15 -39.49 92.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.68 -34.07 64.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.621 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.565 ' HA ' HD23 ' B' ' 439' ' ' LEU . 40.8 mt -59.47 -53.36 49.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.808 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -64.78 -29.65 70.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.368 . . . . 0.0 110.531 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.564 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 51.1 ttp180 -63.91 -46.02 86.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.221 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -71.9 -38.48 69.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -63.17 -34.08 76.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.988 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -72.94 -38.91 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.423 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.12 -43.5 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.13 -42.85 77.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.394 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 18.2 t -62.27 -55.17 30.97 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.51 -39.3 67.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.849 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.409 ' HD2' HD22 ' B' ' 429' ' ' LEU . 18.1 m170 -62.02 -44.56 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -77.11 -48.47 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -44.86 91.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.21 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.645 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -74.9 -26.48 59.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.237 -176.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.26 -25.21 67.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.92 -7.75 81.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.576 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 111.06 -17.35 27.07 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.862 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.645 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.1 mt -83.72 116.45 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -147.72 145.94 29.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.587 0.708 . . . . 0.0 110.343 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.623 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.2 t70 -129.98 161.28 31.29 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.553 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.6 mm? -60.82 -33.81 73.59 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.343 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.5 m -65.53 -32.11 73.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.56 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.623 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 59.7 mmtt -69.24 -45.97 68.47 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.006 -176.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.66 -38.62 91.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.241 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 31.5 mt-10 -66.17 -45.5 80.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.219 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.583 ' O ' HG23 ' B' ' 432' ' ' VAL . 25.1 tpt180 -65.97 -34.94 79.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.466 -177.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 429' ' ' LEU . 3.8 mt -57.24 -51.83 67.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.883 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.645 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 55.7 m95 -63.92 -30.98 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.91 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 23.4 mt-10 -63.32 -54.69 33.03 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.22 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 428' ' ' ARG . 9.9 t -58.22 -37.18 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 29.2 tp60 -57.27 -54.02 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.331 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.613 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.06 -25.73 62.76 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.873 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -68.1 -50.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -40.83 94.25 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.403 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.613 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.5 t -68.72 -38.46 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.772 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.81 -34.76 74.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.362 0.601 . . . . 0.0 109.82 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' B' ' 402' ' ' ILE . 5.3 tp -67.23 -39.62 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.027 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -65.27 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.084 0.468 . . . . 0.0 109.79 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.88 -41.64 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -59.97 -38.67 83.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.891 175.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' B' ' 402' ' ' ILE . 59.2 tp -62.43 -49.97 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.407 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -70.43 -9.55 56.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.32 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -91.15 -17.06 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.048 -178.368 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 81.6 mt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.551 0.215 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.7 6.53 47.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 tp -128.57 121.66 29.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.714 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 34.7 m-70 -134.46 128.69 33.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HD2' ' NH2' ' B' ' 434' ' ' ARG . 30.8 mmtp -109.66 120.19 41.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.97 132.06 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 0.0 110.762 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -119.77 122.06 67.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.962 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.4 ttm -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 91' ' ' LEU . 19.9 m -95.45 165.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 111.125 -173.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.83 121.24 0.86 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.641 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 1.5 p -70.47 -60.52 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.578 0.222 . . . . 0.0 111.21 -176.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.99 -48.21 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.95 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.578 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 159.94 -53.15 0.36 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.52 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 93' ' ' PHE . 24.4 m 44.33 30.28 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.12 12.24 60.37 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 60.7 pttt -65.43 -47.48 76.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.985 0.893 . . . . 0.0 112.237 -177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -63.01 -18.78 63.69 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.8 -39.47 66.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.7 0.286 . . . . 0.0 110.926 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD12 HD21 ' A' ' 128' ' ' ASN . 89.6 mt -73.68 -41.17 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.447 -174.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -61.62 -44.74 96.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HB2' HG23 ' A' ' 40' ' ' VAL . 3.9 mm? -67.66 -26.7 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.913 HE22 ' HA ' ' A' ' 39' ' ' PHE . 73.5 mm-40 -61.84 -47.65 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.3 0.572 . . . . 0.0 109.815 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -71.82 -18.85 62.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.81 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.2 mtp -93.62 -62.41 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.85 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -104.48 -12.45 16.5 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 70.2 21.76 5.79 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 0.0 110.963 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.41 154.02 33.13 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.139 -0.351 . . . . 0.0 110.85 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.913 ' HA ' HE22 ' A' ' 33' ' ' GLN . 51.0 t80 -80.06 124.46 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 32' ' ' LEU . 13.8 t -54.23 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.951 0.782 . . . . 0.0 112.501 -165.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.11 -47.25 10.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.974 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.07 97.28 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.015 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -168.97 91.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.703 ' H ' ' HD3' ' A' ' 45' ' ' PRO . 4.6 mm-40 -118.93 -7.58 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -174.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.703 ' HD3' ' H ' ' A' ' 44' ' ' GLU . 3.4 Cg_exo -80.47 36.12 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 122.185 1.816 . . . . 0.0 113.056 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -87.22 58.44 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.0 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -86.06 -58.92 2.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.639 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -127.73 -36.0 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.616 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -55.14 116.41 2.78 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.78 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 p -153.85 150.71 28.7 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.464 -174.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 15.9 m-85 -124.7 148.37 48.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -92.0 146.44 23.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.436 0.636 . . . . 0.0 111.3 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.57 142.59 32.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.685 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 35.2 ttmt -106.77 118.12 35.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.224 174.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.0 m -129.94 157.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.068 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -144.05 129.27 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.381 0.61 . . . . 0.0 110.794 175.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.7 98.27 7.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.544 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 71.77 -39.1 0.44 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.061 0.85 . . . . 0.0 113.201 176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.19 -116.11 3.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.685 -0.769 . . . . 0.0 114.723 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 pt-20 -107.1 163.89 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.369 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' OE2' ' HD3' ' A' ' 54' ' ' LYS . 62.8 mt-10 -63.43 122.48 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.38 0.609 . . . . 0.0 111.112 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.64 147.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.507 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.21 137.72 51.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.9 117.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.1 141.72 29.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.007 0.432 . . . . 0.0 110.562 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mm -108.38 122.59 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.274 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.477 HD23 ' CH2' ' B' ' 430' ' ' TRP . 43.7 tp -102.44 115.83 31.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.27 -35.45 68.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.265 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m 71.68 152.62 0.12 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.711 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.78 108.21 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.641 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -91.3 42.84 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.916 -169.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.15 179.18 4.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.051 0.425 . . . . 0.0 110.856 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.66 -29.1 21.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.753 -171.239 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -68.71 0.24 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.923 0.868 . . . . 0.0 109.976 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.429 ' HA ' ' CD ' ' B' ' 417' ' ' GLN . 70.0 m-85 -83.93 52.59 2.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.412 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.99 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.66 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.575 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.09 -28.14 69.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.305 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.783 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 3.5 mt -86.91 -23.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.293 0.568 . . . . 0.0 109.956 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -92.53 -65.37 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.677 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -76.89 -54.43 6.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 111.339 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.575 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 54.5 m-20 -69.11 -38.56 78.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.467 -169.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.783 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.5 m-85 -67.39 -22.53 65.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.59 ' HB2' HG23 ' A' ' 114' ' ' VAL . 12.9 m-30 -72.05 -6.14 40.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -59.93 -65.32 0.7 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -178.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.517 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 1.4 t -89.09 30.85 0.91 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 111.403 -171.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.13 163.91 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 62.8 mt-10 -115.53 -75.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.384 0.592 . . . . 0.0 110.462 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.58 139.75 14.67 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.873 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -117.37 132.88 56.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.541 . . . . 0.0 111.46 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 124' ' ' LEU . 98.9 mt -102.54 111.79 24.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.546 HD13 HG23 ' A' ' 125' ' ' VAL . 24.9 mt -90.49 106.11 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG13 ' HB ' ' A' ' 126' ' ' VAL . 35.1 m -113.14 146.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.999 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 25' ' ' VAL . 47.2 p90 -156.24 145.59 20.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 176.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.407 ' H ' ' HB ' ' A' ' 25' ' ' VAL . 45.4 m -77.15 130.87 37.9 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.99 3.34 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.119 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.447 ' CG2' HD11 ' A' ' 132' ' ' LEU . 15.3 p -90.85 -26.91 19.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.212 0.529 . . . . 0.0 110.537 171.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -96.69 94.19 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.108 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.11 -24.59 65.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.9 -46.08 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.904 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -68.53 -25.07 64.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 73.8 t80 -69.56 -46.26 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.216 176.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.3 m -64.8 -27.83 69.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.325 0.583 . . . . 0.0 110.331 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.96 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.131 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 49.4 p -61.88 -33.4 74.13 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.613 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.865 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.0 tp10 -61.52 -41.32 97.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.054 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.0 m-85 -58.49 -49.73 76.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.6 -48.38 77.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.817 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.61 -28.47 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.657 0.265 . . . . 0.0 111.019 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -65.19 -41.88 94.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 109.848 175.163 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' PHE . 72.7 mt -68.71 -43.23 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.34 -18.27 65.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.872 0.368 . . . . 0.0 110.611 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 41.0 ttt85 -75.79 -47.12 27.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.032 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 83' ' ' PHE . 24.9 m -84.76 -19.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.091 -174.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HZ3' ' CD ' ' A' ' 118' ' ' GLU . 58.6 mttm -108.25 -81.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.686 0.279 . . . . 0.0 111.127 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.77 -60.96 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.095 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.47 77.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.059 0.457 . . . . 0.0 111.763 -171.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.466 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 11.8 pt-20 -154.51 -165.83 2.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.169 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.61 -86.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -136.44 144.35 44.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.899 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mt -120.75 98.79 47.72 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.473 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.4 Cg_endo -86.94 131.44 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.346 2.698 . . . . 0.0 112.684 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.31 122.67 36.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.31 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.718 HD12 ' HG2' ' A' ' 153' ' ' GLN . 4.9 tp -111.58 115.64 29.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.546 HG23 HD13 ' A' ' 91' ' ' LEU . 11.1 t -84.06 117.15 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.911 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.665 ' HB ' HG13 ' A' ' 92' ' ' VAL . 48.4 t -118.08 117.84 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.838 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.434 ' HA3' ' OE2' ' A' ' 156' ' ' GLU . . . -79.49 127.55 8.05 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 17.4 t-20 -119.43 163.77 16.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.941 0.371 . . . . 0.0 110.5 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 72.9 mmtt 70.24 22.0 5.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.579 0.549 . . . . 0.0 110.398 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.0 m -63.18 -1.06 0.89 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.399 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.95 -13.49 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.348 0.594 . . . . 0.0 109.736 171.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.659 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.0 mt -89.76 54.26 2.81 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.296 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.63 -26.87 68.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.75 0.309 . . . . 0.0 111.591 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.48 0.28 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.986 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.659 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.4 mtp180 -124.21 11.7 8.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.741 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.56 113.24 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.995 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.58 -27.69 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.462 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 10.4 p -101.97 121.1 51.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.822 177.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 15.7 Cg_exo -68.23 124.17 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.555 2.17 . . . . 0.0 112.126 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.487 HG21 ' HE2' ' A' ' 154' ' ' TYR . 0.9 OUTLIER -50.68 -29.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.711 175.397 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.76 -54.52 45.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.8 -29.06 65.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.834 0.35 . . . . 0.0 110.475 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -66.01 -49.41 67.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -65.28 -34.1 77.56 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.567 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -54.99 -48.39 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.338 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -63.16 -39.99 96.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 154' ' ' TYR . . . -60.72 -45.22 95.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.72 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.48 -37.66 88.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.578 0.704 . . . . 0.0 109.838 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.37 -42.78 99.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -92.24 -3.4 55.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.51 44.38 50.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.352 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.61 -175.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.643 0.259 . . . . 0.0 110.906 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.718 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.9 pm0 -104.44 141.01 37.1 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.858 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 81.9 t80 -116.54 114.41 24.12 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.3 135.76 63.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.434 ' OE2' ' HA3' ' A' ' 127' ' ' GLY . 23.3 mm-40 -85.37 133.17 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.5 p -125.05 128.53 48.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.638 0.733 . . . . 0.0 111.222 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.4 m -98.51 136.28 38.85 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -109.09 -21.04 12.79 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.793 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -84.18 -39.92 18.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.4 p -90.82 -18.15 25.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 64.33 86.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.996 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.99 134.01 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.235 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 66.38 13.37 9.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.653 0.781 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.09 -53.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.787 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.54 -33.98 77.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.269 0.557 . . . . 0.0 110.16 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.64 -52.62 59.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.023 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.98 -27.43 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -74.91 -47.28 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.657 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.4 -43.17 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -42.81 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 111.381 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -63.76 -42.4 97.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.251 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.8 mtm -64.91 -30.88 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 13.0 mmt180 -64.47 -42.98 95.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.059 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.585 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 mt-10 -61.44 -41.05 96.58 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.769 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.724 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 63.3 mt -58.33 -26.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.917 0.389 . . . . 0.0 110.796 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.544 ' NH1' ' HB3' ' A' ' 12' ' ' LEU . 32.3 mmt180 -62.76 -48.97 76.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -63.43 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.724 ' HG2' ' HA ' ' A' ' 176' ' ' ILE . 38.9 mmtt -64.64 -46.85 80.76 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.5 mmtt -65.31 -46.4 80.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.281 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.282 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.577 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.8 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.636 0.255 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.2 mt-30 -61.43 -29.56 70.02 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.86 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.17 -50.08 72.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.465 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.99 -34.4 70.8 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.872 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 394' ' ' THR . 39.6 mm -59.46 -53.54 46.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.326 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.2 mttt -57.87 -44.37 86.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.687 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.8 -40.63 93.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 22.3 tt0 -75.44 -37.01 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.643 HG12 ' HB3' ' B' ' 439' ' ' LEU . 75.4 mt -53.4 -52.75 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.27 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -61.16 -35.84 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.52 -42.65 99.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.538 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.668 HE21 HG22 ' B' ' 432' ' ' VAL . 16.1 mm100 -76.27 -34.54 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 62.6 mt-10 -63.32 -38.95 93.16 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.0 -46.22 85.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.473 ' O ' HD23 ' B' ' 412' ' ' LEU . 28.3 mt -57.68 -45.67 85.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.716 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.639 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.9 tp -61.24 -47.62 85.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.382 0.61 . . . . 0.0 109.471 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.72 -44.11 85.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.798 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 80.0 p -60.74 -51.97 67.11 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.931 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.2 mm? -55.9 -44.54 78.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 78' ' ' ILE . 2.6 m-70 -57.84 -49.99 74.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.384 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.01 -30.52 55.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.726 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.98 -49.49 51.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.523 HD13 HD11 ' B' ' 429' ' ' LEU . 69.7 mt -65.49 -36.63 84.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.784 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.429 ' CD ' ' HA ' ' A' ' 75' ' ' TYR . 6.8 mt-30 -70.99 -9.28 57.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.03 -12.76 80.57 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.027 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 117.24 32.49 1.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.926 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 66.7 mt -137.85 144.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.456 ' HA ' HD22 ' B' ' 416' ' ' LEU . 2.3 pttm -161.12 150.2 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.187 0.518 . . . . 0.0 110.872 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.586 ' HB3' ' HE2' ' B' ' 425' ' ' LYS . 18.3 t70 -149.49 158.02 43.8 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' B' ' 427' ' ' GLU . 8.4 mp -58.22 -30.12 66.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.087 0.403 . . . . 0.0 111.27 -176.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.19 -34.34 77.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' B' ' 422' ' ' ASP . 39.1 mmtt -72.98 -43.55 62.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.197 -176.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' B' ' 422' ' ' ASP . 0.5 OUTLIER -58.41 -47.18 84.77 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.872 -178.447 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.3 mm-40 -65.51 -38.26 89.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.255 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.619 ' O ' HG11 ' B' ' 432' ' ' VAL . 9.0 mmt180 -60.52 -38.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.683 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.523 HD11 HD13 ' B' ' 416' ' ' LEU . 16.5 mt -55.76 -48.58 75.03 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 123.441 0.463 . . . . 0.0 110.562 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 89.5 m95 -71.75 -37.71 70.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.957 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 52.9 mt-10 -59.94 -54.9 40.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.142 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.668 HG22 HE21 ' B' ' 405' ' ' GLN . 7.6 p -63.78 -33.61 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.355 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.1 tp60 -56.37 -51.41 68.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.563 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.605 ' NH2' ' HD2' ' A' ' 16' ' ' LYS . 4.5 mpt_? -68.8 -31.88 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 111.262 -177.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 432' ' ' VAL . 39.5 mt -67.56 -47.63 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 109.771 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.7 tm? -59.07 -45.17 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.519 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 6.6 t -69.28 -34.46 74.76 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.084 0.468 . . . . 0.0 110.681 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.47 -39.6 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.688 HD11 ' HD3' ' B' ' 442' ' ' LYS . 1.6 mp -61.43 -37.25 82.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.682 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 58.8 mmtt -58.31 -42.71 87.29 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.659 0.742 . . . . 0.0 109.462 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.79 -43.05 97.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.827 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.688 ' HD3' HD11 ' B' ' 439' ' ' LEU . 28.5 mtpp -58.27 -35.77 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.242 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 37.7 tp -63.32 -39.75 95.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.847 0.356 . . . . 0.0 110.561 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -82.12 -6.2 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.564 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.78 -35.51 14.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.395 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.216 0.055 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 61' ' ' GLU . . . 63.38 3.2 1.33 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 tp -129.57 112.12 13.4 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.503 ' CD2' HG13 ' A' ' 62' ' ' VAL . 27.6 m-70 -136.43 138.25 41.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 70.6 mmtt -120.93 120.03 34.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.512 0.196 . . . . 0.0 110.888 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.85 123.5 65.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.433 HD11 ' CE1' ' A' ' 89' ' ' PHE . 62.8 mt -109.27 135.53 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.471 ' SD ' HD11 ' A' ' 90' ' ' LEU . 92.4 mmm -97.6 114.4 26.32 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.82 162.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.697 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.63 165.94 26.86 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -71.26 95.93 1.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.459 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 -75.19 0.7 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.724 -174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.27 80.71 0.07 OUTLIER Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.43 -67.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.11 26.22 0.2 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.479 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' HG22 ' A' ' 92' ' ' VAL . 14.5 pttp -78.39 -15.66 58.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.268 . . . . 0.0 111.428 -175.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' HD22 ' A' ' 32' ' ' LEU . 26.6 m -78.92 -29.22 44.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.948 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.25 -44.04 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 159' ' ' ALA . 95.4 mt -66.39 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.88 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.496 ' CG2' HG22 ' A' ' 66' ' ' ILE . 22.1 p -68.02 -45.57 73.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.335 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' O ' ' A' ' 28' ' ' SER . 4.6 mm? -63.18 -31.21 72.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -61.68 -56.22 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.887 174.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.99 -36.94 80.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.534 ' SD ' ' HB2' ' A' ' 53' ' ' LYS . 8.2 tpp -69.7 -49.3 54.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.765 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 47.4 m-85 -106.84 -81.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.684 -177.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 35.1 t70 164.45 -29.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.0 0.812 . . . . 0.0 110.358 -177.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.09 165.63 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.835 -172.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -88.1 125.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.068 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.91 150.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.336 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -91.11 19.38 5.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.0 109.924 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 67.59 109.34 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.424 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.468 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 97.5 m-85 -72.42 159.41 34.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.208 175.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.592 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 44.9 mt-10 -77.5 -49.01 2.28 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.849 167.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.4 Cg_endo -60.52 -108.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 123.001 2.468 . . . . 0.0 114.656 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 23.4 p 53.62 33.49 16.59 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.604 0.761 . . . . 0.0 111.404 -173.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.07 -56.23 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.297 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.43 18.93 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.697 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 45' ' ' PRO . 22.1 m-20 -85.89 95.49 9.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.03 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -104.09 145.19 30.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.1 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -131.06 145.73 52.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.63 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 33.0 ttm180 -101.75 113.69 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.095 0.474 . . . . 0.0 110.938 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 51.6 tptt -98.14 121.41 40.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.864 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 34.7 ttmt -90.72 118.2 29.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.263 0.554 . . . . 0.0 110.924 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.83 168.05 20.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 1.5 p -134.35 113.54 17.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 170' ' ' PHE . 96.7 mt -88.92 99.09 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.895 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 70.2 -47.67 0.63 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.859 0.864 . . . . 0.0 112.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.47 32.07 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.26 -0.972 . . . . 0.0 113.924 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.542 ' O ' HG22 ' A' ' 62' ' ' VAL . 11.3 pt-20 -127.46 119.12 25.4 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 170.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 32.3 mt-10 -70.11 111.72 5.96 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 60' ' ' GLU . 20.4 t -103.88 137.94 30.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -166.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.63 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 46.7 mt-30 -112.93 116.17 29.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 53' ' ' LYS . 10.9 tt -118.52 115.53 48.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.315 0.579 . . . . 0.0 110.397 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.17 127.18 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.582 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.496 HG22 ' CG2' ' A' ' 31' ' ' THR . 48.5 mm -107.93 127.93 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.805 0.336 . . . . 0.0 111.298 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.2 mt -111.6 118.84 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.476 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.446 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 32.2 t0 -90.22 86.55 6.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -68.34 138.69 55.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.453 -172.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.3 113.46 8.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.509 173.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 76.21 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.85 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -149.16 178.51 8.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.89 -29.85 68.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.342 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.519 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 6.0 m-20 -88.48 -164.41 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.12 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' HB3' HD13 ' A' ' 78' ' ' ILE . 14.5 m-85 43.57 42.61 4.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.492 0.663 . . . . 0.0 111.975 -176.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -14.66 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.326 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.1 -14.19 61.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.785 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 19.3 mt -97.53 -37.97 7.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.373 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -92.29 -65.31 1.01 Allowed 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.654 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.487 ' OD1' ' HD3' ' B' ' 421' ' ' LYS . 4.6 t70 -60.06 -50.73 72.54 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 111.518 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 34.6 m-80 -73.92 -25.99 60.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.852 -171.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 4.0 m-85 -88.31 -36.88 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.482 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.7 m-30 -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.362 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -48.8 -65.91 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.856 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 4.8 t -87.82 24.74 1.68 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.45 0.643 . . . . 0.0 110.019 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.96 -177.84 51.94 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.5 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 36.3 tt0 -143.85 -79.27 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.06 147.95 16.35 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.855 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CE1' HD11 ' A' ' 18' ' ' ILE . 81.7 m-85 -134.01 133.96 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.981 0.391 . . . . 0.0 111.208 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 124' ' ' LEU . 81.2 mt -108.79 122.02 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.14 107.78 19.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.675 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -110.47 126.43 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.131 0.491 . . . . 0.0 110.516 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.59 155.38 48.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -97.16 141.14 30.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.646 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -76.63 -4.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.337 -178.336 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 p -88.06 -42.2 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -86.37 95.83 9.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -64.34 -24.17 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.19 -37.93 89.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.301 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 m -64.9 -31.85 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.63 -40.2 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.637 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.7 m -73.75 -33.51 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -23.1 67.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.192 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 76.8 p -56.7 -37.57 71.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.83 95.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.551 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 20.3 tt0 -61.62 -42.98 99.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.613 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.6 m-85 -57.77 -51.4 69.71 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.299 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -58.53 -54.41 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.281 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.7 -31.08 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 4.9 tp-100 -70.31 -34.44 72.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.361 . . . . 0.0 110.387 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 121' ' ' ILE . 54.7 mt -71.14 -41.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.277 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.535 ' O ' ' HB1' ' A' ' 116' ' ' ALA . 9.2 mp -66.54 -23.99 66.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -71.52 -38.14 71.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 83' ' ' PHE . 34.8 m -91.64 -30.15 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 118' ' ' GLU . 60.8 mttm -101.81 -100.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.325 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 112' ' ' LEU . . . 66.95 -56.38 0.43 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.067 0.947 . . . . 0.0 113.364 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.48 0.4 29.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 12.4 pt-20 -98.1 -152.06 0.39 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.751 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.04 -83.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 74.9 mmtt -138.61 153.19 48.63 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.485 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 111' ' ' ILE . 36.6 mt -126.7 97.86 32.43 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.801 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.688 ' HG3' ' HG2' ' A' ' 179' ' ' LYS . 3.7 Cg_exo -80.78 115.3 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.265 2.644 . . . . 0.0 112.165 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.65 160.84 15.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.381 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.598 HD11 ' HG3' ' A' ' 153' ' ' GLN . 3.6 tp -150.73 118.07 6.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.44 ' N ' HD12 ' A' ' 124' ' ' LEU . 24.6 t -90.72 121.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.293 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.675 ' HB ' HG12 ' A' ' 92' ' ' VAL . 58.9 t -115.7 123.99 71.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.705 -176.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.35 106.36 2.09 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -99.51 142.46 30.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.534 ' HG3' HD22 ' A' ' 132' ' ' LEU . 59.0 tptt 66.11 63.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.435 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 m -77.51 -4.79 47.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.815 0.817 . . . . 0.0 108.966 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.42 ' HB3' ' HD2' ' A' ' 129' ' ' LYS . 32.5 t70 -76.53 66.72 2.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.728 -177.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.534 HD22 ' HG3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -168.07 -52.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.304 176.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.524 ' N ' HD11 ' A' ' 132' ' ' LEU . 38.0 tt0 64.95 -67.23 0.12 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.849 0.86 . . . . 0.0 112.835 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.881 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.5 pt-20 -56.84 -34.68 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.881 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 87.6 mtt180 -95.79 19.0 11.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -170.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.646 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -70.36 114.42 8.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.719 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.68 -20.26 26.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.45 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.5 p -118.58 118.23 33.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.885 0.374 . . . . 0.0 110.788 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.56 128.33 25.58 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.639 2.226 . . . . 0.0 112.709 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HA ' ' HB1' ' A' ' 143' ' ' ALA . 1.0 OUTLIER -56.82 -27.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.247 177.578 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.35 -39.83 73.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.627 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.98 -19.77 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.736 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 140' ' ' VAL . . . -67.94 -44.77 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.04 -33.49 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.1 0.476 . . . . 0.0 109.718 176.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.9 t -57.48 -49.53 75.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.858 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -59.97 -41.27 91.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.655 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.31 98.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 0.0 110.511 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.17 -29.52 66.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.27 -40.27 95.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -82.97 -12.89 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.616 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 22.91 48.81 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.272 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.3 m -110.89 167.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 111.108 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.598 ' HG3' HD11 ' A' ' 124' ' ' LEU . 11.9 pt20 -91.78 156.14 17.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.42 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -120.56 121.82 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.6 135.61 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.469 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.68 121.48 28.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.647 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -132.0 129.77 40.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -136.53 130.56 32.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.962 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.548 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -84.4 8.41 16.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.038 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -88.59 -20.1 25.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.835 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -0.15 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.678 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 162' ' ' ARG . 36.3 mtp-105 59.68 36.35 22.43 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.26 131.93 52.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 65.95 9.61 6.28 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.745 0.818 . . . . 0.0 112.437 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.51 -52.79 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.908 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.68 -31.88 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.096 0.474 . . . . 0.0 110.57 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -58.31 -52.54 65.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.389 -173.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.68 -29.45 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.26 -45.18 41.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 57' ' ' LEU . 19.4 m-85 -67.55 -45.66 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.554 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.49 -50.87 68.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.3 tp -61.76 -44.33 97.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.534 ' HA ' HD13 ' A' ' 176' ' ' ILE . 66.0 mtm -63.96 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.943 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 12.3 mmm180 -67.65 -39.85 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.506 0.193 . . . . 0.0 110.957 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.38 -30.82 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 173' ' ' MET . 66.5 mt -56.94 -29.57 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.485 ' HB3' ' HE1' ' A' ' 181' ' ' MET . 76.4 mtt180 -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.389 175.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.8 m -69.11 -30.0 68.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.385 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.688 ' HG2' ' HG3' ' A' ' 122' ' ' PRO . 14.4 mptt -66.78 -57.45 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.626 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -74.92 -23.99 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -172.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.485 ' HE1' ' HB3' ' A' ' 177' ' ' ARG . 70.3 mtm . . . . . 0 C--N 1.326 -0.435 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.044 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.405 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.5 m . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 120.12 0.01 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -61.24 -33.49 73.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.565 0.221 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.15 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.46 93.35 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.784 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.439 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.7 mm -54.49 -47.49 70.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 0.0 110.306 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 97.6 mttt -60.57 -45.52 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.525 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.25 -34.79 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.724 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.08 -45.85 72.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' B' ' 439' ' ' LEU . 88.4 mt -53.25 -52.63 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.648 175.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 68.1 mtp180 -62.88 -34.09 76.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.763 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.9 -46.59 88.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.482 ' OE1' HG23 ' B' ' 432' ' ' VAL . 75.6 mm-40 -75.25 -32.21 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.711 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.48 -43.25 93.31 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.63 -51.38 69.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.971 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.485 ' HB2' HG22 ' B' ' 432' ' ' VAL . 70.4 mt -58.74 -47.5 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.222 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.552 HD12 HG12 ' B' ' 432' ' ' VAL . 16.0 tp -69.76 -45.79 67.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.466 . . . . 0.0 110.696 -176.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -56.35 -47.2 79.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.573 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 12.2 t -60.57 -53.86 52.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.744 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 62.3 mt -53.93 -42.11 68.46 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.0 m170 -65.61 -41.08 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.65 -43.24 26.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.6 -54.27 25.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.605 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.674 ' HG ' ' HD3' ' B' ' 425' ' ' LYS . 1.5 mp -62.35 -26.77 68.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.723 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.9 tt0 -66.14 -13.86 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.81 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.29 11.41 50.26 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.476 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.53 33.95 17.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.04 116.5 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 29.0 mtmm -123.4 144.2 49.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.731 0.777 . . . . 0.0 112.054 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 22.5 t70 -147.65 159.11 44.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.221 -1.354 . . . . 0.0 107.475 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.253 0.549 . . . . 0.0 110.282 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -65.44 -42.03 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.39 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.674 ' HD3' ' HG ' ' B' ' 416' ' ' LEU . 0.3 OUTLIER -71.42 -37.07 71.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.387 -170.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.631 ' HB3' ' HZ3' ' B' ' 425' ' ' LYS . 4.3 pt-20 -73.75 -35.65 65.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.212 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.28 -39.73 68.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.998 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.622 ' O ' HG13 ' B' ' 432' ' ' VAL . 33.9 mmt180 -65.07 -35.91 82.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 174.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.474 HD12 HD21 ' B' ' 416' ' ' LEU . 6.1 mt -55.72 -57.41 12.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.389 0.43 . . . . 0.0 111.388 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.514 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 51.6 m95 -63.92 -31.85 73.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.025 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.45 ' O ' HG13 ' B' ' 435' ' ' ILE . 39.0 tt0 -68.15 -56.55 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.722 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.622 HG13 ' O ' ' B' ' 428' ' ' ARG . 3.1 p -62.77 -34.59 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.192 0.52 . . . . 0.0 109.837 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.43 -51.21 69.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.142 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.58 -26.28 63.45 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.577 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' B' ' 432' ' ' VAL . 40.3 mt -72.87 -45.66 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.07 -46.2 82.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -70.5 -35.45 73.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.637 0.256 . . . . 0.0 111.042 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.34 79.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.564 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.3 mp -64.86 -37.86 89.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.136 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -61.8 -39.13 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.345 0.593 . . . . 0.0 109.637 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.15 -44.96 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.372 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.61 -31.21 71.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.57 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.438 ' HA ' HG22 ' B' ' 398' ' ' ILE . 52.9 tp -62.59 -43.1 99.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.035 0.445 . . . . 0.0 110.077 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -82.09 -7.27 59.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.42 -35.18 25.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.918 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.875 179.615 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -97.85 11.08 38.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -133.15 126.56 31.95 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' N ' HD22 ' A' ' 14' ' ' LEU . 57.1 m-70 -136.92 152.7 50.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 111.376 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 6.5 mmpt? -122.07 106.37 11.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.817 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.13 115.55 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.503 . . . . 0.0 110.767 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.23 131.02 64.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.331 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.2 ttm -93.51 114.79 27.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.32 155.66 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.61 -174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.11 -168.7 41.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 12.2 t -115.64 146.6 41.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.55 -113.19 1.65 Allowed Glycine 0 C--N 1.333 0.394 0 O-C-N 123.683 0.614 . . . . 0.0 112.731 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.73 52.54 0.77 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.078 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 22' ' ' SER . 38.4 t -82.04 65.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.969 0.89 . . . . 0.0 110.293 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.23 45.25 62.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.296 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -131.36 70.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.862 0.839 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.54 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.615 172.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.55 -41.05 69.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.901 -177.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD11 HD22 ' A' ' 128' ' ' ASN . 8.0 mp -63.27 -30.99 72.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.636 -173.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.4 p -69.71 -43.03 73.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.007 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -37.0 83.48 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.812 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 90.1 mt-30 -64.13 -33.59 76.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.342 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -71.18 -37.24 72.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.644 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.6 mtt -78.02 -54.28 6.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.375 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -143.81 -61.76 0.4 Allowed 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.873 1.321 . . . . 0.0 110.631 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 1.3 t70 -88.91 -162.37 0.85 Allowed 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 111.898 -2.41 . . . . 0.0 112.097 -149.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -131.15 -165.24 1.54 Allowed 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.806 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -74.24 106.41 5.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.206 0.527 . . . . 0.0 109.796 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -78.59 157.65 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.138 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.0 -11.82 24.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.25 125.36 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.525 174.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -175.83 121.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.995 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.7 mm-40 -134.6 -36.97 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.995 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -45.94 98.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.854 2.369 . . . . 0.0 113.081 174.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -158.37 42.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.096 177.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -85.37 -50.81 7.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.883 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.13 20.8 8.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.459 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.5 m-20 -94.15 94.33 8.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.469 -171.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t -105.71 151.54 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.737 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 0.3 OUTLIER -140.2 125.26 18.55 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.747 -178.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 41.3 ttp180 -91.77 113.79 26.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.019 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.32 138.72 35.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.162 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -97.68 118.51 34.37 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 172.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.5 142.01 44.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 2.6 p -92.49 102.7 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.845 0.831 . . . . 0.0 109.536 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.27 99.37 11.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.018 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 61.98 12.26 4.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.412 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.89 -33.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.936 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 5.4 pt-20 -105.94 140.82 38.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.595 0.697 . . . . 0.0 110.75 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -76.81 111.28 12.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.26 0.552 . . . . 0.0 109.628 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 13' ' ' ALA . 10.8 t -107.09 155.83 7.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.394 -170.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -112.35 117.01 31.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -123.93 112.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.391 0.615 . . . . 0.0 110.44 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.644 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 17.4 t70 -98.02 121.19 39.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.763 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.44 114.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.448 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.84 130.2 46.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.497 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -95.18 120.2 35.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 140.94 36.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.095 0.474 . . . . 0.0 111.589 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.94 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.206 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 56.65 2.4 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.92 158.38 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.659 0.266 . . . . 0.0 110.82 -178.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.15 -24.11 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.705 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.444 ' HB2' HD12 ' A' ' 72' ' ' LEU . 16.3 m-20 -57.26 -64.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 111.238 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -84.35 65.03 8.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.434 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -64.94 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.547 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.643 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.26 -19.97 65.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.352 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.474 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 27.8 mt -94.64 -30.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -92.14 -66.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.768 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -40.36 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 111.179 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.643 HD21 ' HA ' ' A' ' 77' ' ' ALA . 93.7 m-20 -76.55 -22.71 53.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.895 -174.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 23.8 m-85 -89.97 -35.87 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 18.7 m-30 -56.53 -27.38 57.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.449 HH12 ' CD ' ' A' ' 117' ' ' GLU . 21.1 mmm180 -47.25 -67.98 0.23 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.9 m -84.92 29.61 0.62 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.006 0.431 . . . . 0.0 111.444 -178.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.63 -172.27 47.53 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.277 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 31.7 tt0 -148.36 -76.28 0.17 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.769 0.427 . . . . 0.0 110.129 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 148.62 16.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.875 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.87 133.39 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -99.46 114.66 27.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.322 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 125' ' ' VAL . 65.7 tp -97.99 107.16 19.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.037 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.1 m -104.73 136.77 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.099 0.475 . . . . 0.0 111.803 -176.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -144.98 163.74 33.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.727 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 p -111.12 146.27 37.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.255 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.48 -0.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.773 0.321 . . . . 0.0 111.57 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.492 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.0 p -90.27 -53.37 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 110.699 174.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.9 95.67 5.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.792 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -64.13 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.147 178.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.208 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -68.49 -27.27 65.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.721 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -68.34 -45.65 72.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -68.6 -28.78 67.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.272 0.558 . . . . 0.0 110.794 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.46 62.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.248 -177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 38.9 p -54.47 -39.5 67.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 111.871 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.05 92.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.693 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.77 -45.39 94.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.563 ' HZ ' ' HB2' ' A' ' 22' ' ' SER . 22.1 m-85 -63.28 -49.34 74.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.139 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -55.39 -54.82 38.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 42.7 mt-10 -61.53 -38.63 88.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.234 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 4.9 tp-100 -59.01 -38.76 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.086 0.47 . . . . 0.0 110.5 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.01 -44.37 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.191 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.1 -25.96 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.679 0.276 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 61.5 mtp180 -64.73 -29.31 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.338 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 83' ' ' PHE . 19.6 m -102.73 -19.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.363 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.596 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 40.2 mttm -104.83 -112.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.832 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.03 -24.39 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.228 1.011 . . . . 0.0 113.662 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 115' ' ' LYS . 12.3 pt-20 -88.56 12.21 15.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.54 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 8.3 pt-20 -122.9 -167.15 1.54 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.187 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -84.39 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -141.92 129.93 21.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.864 -0.522 . . . . 0.0 111.539 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.2 mt -102.35 104.9 40.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.623 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -87.4 114.76 1.03 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.249 2.633 . . . . 0.0 112.522 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.37 121.98 45.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 90' ' ' LEU . 2.8 tp -105.41 112.97 26.27 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.468 HG21 HD22 ' A' ' 91' ' ' LEU . 4.7 t -85.1 118.5 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 0.0 109.845 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.523 ' HB ' HG12 ' A' ' 92' ' ' VAL . 28.6 t -112.26 127.88 69.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.889 -174.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.31 113.78 3.81 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.429 HD22 HD11 ' A' ' 30' ' ' LEU . 9.7 t-20 -109.21 164.78 12.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.857 0.329 . . . . 0.0 110.537 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 63.58 63.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.052 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.0 m -87.52 11.01 15.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.398 0.618 . . . . 0.0 110.204 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.54 -2.65 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.511 HD12 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.0 -61.18 1.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.327 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 67.42 -65.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.736 0.814 . . . . 0.0 111.542 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.95 -26.95 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.615 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.435 ' HB2' HD13 ' A' ' 132' ' ' LEU . 59.7 mtp180 -86.76 19.32 2.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.678 -174.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -67.01 113.69 5.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.57 0.224 . . . . 0.0 110.411 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -102.53 -10.34 19.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 110.906 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 p -125.51 120.05 24.68 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.688 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.605 ' HB2' ' HG2' ' A' ' 141' ' ' GLU . 19.0 Cg_endo -59.82 119.23 6.33 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.214 1.943 . . . . 0.0 110.824 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.44 -11.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.956 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.7 pt-20 -59.69 -43.85 93.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 13.7 pt-20 -77.88 -24.74 48.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.041 0.448 . . . . 0.0 110.155 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.22 91.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -62.33 -41.76 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.121 173.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.0 t -55.93 -43.55 77.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.845 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.69 -44.33 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.2 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.204 0.526 . . . . 0.0 110.309 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.76 -35.47 80.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.405 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.5 -40.68 95.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.937 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.78 -13.1 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.527 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.44 25.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.301 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.87 -176.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 122.042 0.137 . . . . 0.0 110.917 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -106.4 153.38 22.33 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -121.34 126.84 50.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.879 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.5 130.88 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.874 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.66 134.95 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.7 p -133.88 170.02 16.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.5 . . . . 0.0 111.541 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.1 t -155.29 124.48 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.44 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.77 -26.0 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.528 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -76.69 -45.96 27.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.998 0.427 . . . . 0.0 110.125 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -14.87 47.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.694 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 60.16 80.96 0.19 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.274 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.05 126.91 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 65.25 7.75 4.41 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.515 0.726 . . . . 0.0 112.455 176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -38.49 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.098 0.475 . . . . 0.0 110.684 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.46 -31.81 58.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.373 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.54 -47.63 84.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.79 -28.79 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -75.06 -52.16 11.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.7 m-85 -63.94 -46.99 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -42.81 93.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.826 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 176' ' ' ILE . 53.3 tp -60.56 -42.99 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 109.966 177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.523 ' HA ' HD13 ' A' ' 176' ' ' ILE . 66.8 mtm -60.26 -30.11 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.077 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.447 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 9.9 mmm180 -74.87 -41.78 59.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.411 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.4 mt-10 -59.98 -38.62 83.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.371 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 173' ' ' MET . 98.0 mt -57.77 -42.69 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.498 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 173' ' ' MET . 63.4 mtt-85 -63.33 -43.77 96.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.37 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.2 m -61.47 -38.84 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.1 mptt -65.06 -46.6 80.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.629 176.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -67.78 -40.09 84.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.301 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 C--N 1.324 -0.513 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.184 177.027 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.5 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 120.684 0.278 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -53.64 -35.6 61.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.136 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.95 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.904 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . 0.402 ' HA2' ' OE1' ' B' ' 400' ' ' GLU . . . -69.67 -33.93 72.1 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.589 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.501 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.64 -47.92 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.027 0.441 . . . . 0.0 110.023 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.11 -38.66 87.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.13 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.402 ' OE1' ' HA2' ' B' ' 397' ' ' GLY . 47.4 mt-10 -60.03 -48.81 80.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.678 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 20.5 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.505 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' B' ' 443' ' ' LEU . 93.2 mt -59.23 -50.53 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.511 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 25.5 mmm180 -62.12 -31.26 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.248 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.87 -44.62 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.359 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.434 ' HB2' HD11 ' B' ' 436' ' ' LEU . 32.9 mm-40 -68.7 -35.55 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.511 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 44.3 mt-10 -60.53 -41.8 95.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.098 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.41 -47.38 86.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.94 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.675 ' HB2' HG22 ' B' ' 432' ' ' VAL . 61.9 mt -60.64 -51.2 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.725 HD21 HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -59.32 -39.44 83.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.976 178.65 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -64.56 -44.71 89.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.068 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.6 t -59.69 -54.02 51.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.465 HD22 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -55.72 -42.75 75.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.805 0.336 . . . . 0.0 111.096 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.579 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.4 m170 -64.77 -39.21 93.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -77.48 -45.76 24.6 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.29 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.54 -55.11 22.65 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.29 0.567 . . . . 0.0 111.643 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.445 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 67.1 mt -65.97 -24.58 66.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.778 -175.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.5 tt0 -59.22 -21.57 59.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.67 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.33 -7.16 86.92 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.925 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.46 17.66 13.22 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.247 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 51.7 mt -87.47 132.85 31.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -139.52 143.37 37.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.994 0.902 . . . . 0.0 112.762 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.689 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.5 t70 -149.54 171.36 16.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 7.8 mp -72.19 -31.16 65.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.725 0.774 . . . . 0.0 109.779 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -34.64 78.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.251 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.8 pptp? -69.92 -37.38 75.93 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.588 -172.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.584 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.2 pt-20 -72.87 -41.76 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.18 -42.28 76.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.71 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.604 ' O ' HG11 ' B' ' 432' ' ' VAL . 15.0 mmt180 -61.5 -44.47 97.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.845 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' B' ' 433' ' ' GLN . 8.1 mt -55.38 -52.51 63.3 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.468 0.48 . . . . 0.0 111.543 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.747 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 87.3 m95 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.604 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.686 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 9.5 tp10 -65.03 -56.02 15.53 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.014 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.725 HG13 HD21 ' B' ' 409' ' ' LEU . 3.5 p -62.67 -32.95 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.461 0.648 . . . . 0.0 109.852 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.2 tp60 -55.77 -53.48 56.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.43 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.747 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.7 OUTLIER -71.45 -26.13 62.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.092 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 58.9 mt -68.32 -52.62 35.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' B' ' 405' ' ' GLN . 31.0 tp -58.42 -38.62 77.81 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.737 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 13.3 t -71.98 -40.28 68.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.209 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.7 73.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.11 -33.69 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.753 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.54 -41.95 95.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 110.171 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.95 -45.26 93.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.218 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.37 -31.8 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.479 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.545 ' HB2' HD11 ' B' ' 402' ' ' ILE . 47.8 tp -66.45 -44.06 83.85 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.437 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -80.4 -1.74 42.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.86 -43.01 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.83 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.635 -175.635 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--O 1.239 0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -114.4 17.83 17.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.14 -170.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD23 HH22 ' B' ' 434' ' ' ARG . 39.2 tp -128.69 120.42 26.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -136.47 151.4 49.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -174.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -119.41 120.91 38.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.284 173.51 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.78 123.71 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.9 mt -104.84 127.47 59.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.678 -178.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.9 tpp -87.39 107.97 18.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.712 -178.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.2 126.81 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.432 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -173.03 24.11 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.078 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.776 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 23.2 t -94.6 -12.05 28.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.606 0.717 . . . . 0.0 110.041 -175.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.77 -73.35 0.39 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.49 -178.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 8.62 9.66 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.955 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.75 -8.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 122.665 -0.314 . . . . 0.0 110.922 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.64 90.81 0.18 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.761 -177.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -138.58 -77.71 0.36 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.794 0.331 . . . . 0.0 110.769 175.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 18.1 m -68.99 -40.74 78.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -175.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.54 88.12 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' OD1' ' A' ' 128' ' ' ASN . 89.6 mt -62.28 -49.85 74.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 111.175 -178.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -72.16 -33.74 67.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.959 -175.124 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 28' ' ' SER . 97.0 mt -61.47 -40.06 93.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.352 -0.139 . . . . 0.0 111.017 177.28 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -60.2 -44.66 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.343 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.8 -34.08 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.924 -175.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.471 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 45.8 mtm -96.59 -49.67 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -173.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -90.07 -8.08 52.3 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 67.61 13.71 9.34 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.911 0.757 . . . . 0.0 111.809 176.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -132.77 161.85 33.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.787 -177.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -85.02 133.45 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.536 ' HB ' HD12 ' A' ' 32' ' ' LEU . 3.2 p -55.71 112.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.573 0.701 . . . . 0.0 112.395 -173.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.88 -60.85 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.015 173.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -135.52 100.62 4.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -164.04 109.07 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.595 174.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.702 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 36.3 mt-10 -101.9 -63.76 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 86.2 Cg_exo -45.31 -79.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 123.439 2.759 . . . . 0.0 115.023 -164.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.443 ' HG1' ' C ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER 50.9 41.04 26.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.803 0.335 . . . . 0.0 111.077 -173.024 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -86.55 -58.18 2.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -178.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.52 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.09 135.66 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.211 0.529 . . . . 0.0 111.455 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 p -131.94 -173.07 3.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.206 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 35' ' ' MET . 85.4 t80 -131.92 128.49 38.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.13 0.49 . . . . 0.0 111.156 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 52' ' ' ARG . 25.7 ttt180 -77.09 105.37 8.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.331 175.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -109.0 140.53 42.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.232 -175.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.534 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 24.7 ttmt -114.61 130.73 56.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 173.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.53 154.79 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.42 137.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.857 176.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -133.63 99.11 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.77 78.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.998 0.811 . . . . 0.0 111.548 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.12 -127.61 2.53 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.58 174.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.59 157.08 18.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 63.5 mt-10 -56.79 125.59 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 111.054 -175.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 13' ' ' ALA . 21.9 t -107.37 145.13 15.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.044 -175.383 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.97 122.02 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.029 0.442 . . . . 0.0 110.167 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.7 tt -109.27 114.87 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.654 0.74 . . . . 0.0 110.177 178.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.722 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 25.7 t0 -87.87 113.1 23.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.007 -177.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.532 HG22 HG22 ' A' ' 31' ' ' THR . 24.4 mm -108.51 135.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 0.0 112.339 -169.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.6 tp -131.5 123.7 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.122 171.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -98.74 82.09 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.436 HG21 ' HA ' ' A' ' 79' ' ' ARG . 24.6 m -60.94 142.32 56.53 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.249 -170.059 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.0 120.38 22.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.947 173.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 65.84 3.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.533 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.509 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -147.66 160.58 42.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.596 0.236 . . . . 0.0 110.773 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -92.21 -7.54 47.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.7 m-20 -57.97 -75.57 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.75 0.786 . . . . 0.0 110.414 175.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.509 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.8 m-85 -84.07 68.04 9.91 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.618 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.18 -23.68 62.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.532 177.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.592 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -66.77 -6.99 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.291 177.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.491 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.0 mt -107.96 -35.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HA ' HG21 ' A' ' 69' ' ' THR . 53.2 ttt180 -85.56 -64.94 1.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.0 -55.0 7.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.691 -173.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.592 ' CG ' ' HA ' ' A' ' 77' ' ' ALA . 1.5 m-20 -59.91 -24.47 64.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.253 -173.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.505 ' HE2' ' HE1' ' B' ' 413' ' ' HIS . 3.5 m-85 -90.41 -18.47 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.319 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.615 ' HB3' HG21 ' A' ' 114' ' ' VAL . 11.3 m-30 -72.94 1.23 9.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.549 HH11 ' HB ' ' A' ' 114' ' ' VAL . 29.9 mmt-85 -70.77 -62.41 1.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.227 0.537 . . . . 0.0 110.64 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -92.52 11.01 27.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.407 -174.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.05 122.56 5.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.496 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.487 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 38.7 mt-10 -86.36 -74.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.0 110.56 -178.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 128.74 9.3 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.385 -174.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HE1' ' HZ3' ' A' ' 115' ' ' LYS . 87.1 m-85 -115.36 117.33 30.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.989 0.423 . . . . 0.0 111.02 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.67 114.19 25.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.674 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.81 105.12 17.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.522 HG21 ' HB ' ' A' ' 126' ' ' VAL . 37.2 t -108.83 127.76 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.371 0.605 . . . . 0.0 111.782 -176.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -133.51 175.43 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.212 175.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t -129.72 143.08 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.651 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.9 -3.65 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.049 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.402 ' CG2' HD22 ' A' ' 132' ' ' LEU . 4.0 p -88.75 -15.11 35.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 110.904 175.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.99 102.56 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.252 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -63.49 -18.37 63.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.125 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.76 -52.99 24.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.487 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.776 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 2.0 p -61.47 -36.75 81.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.5 -40.56 83.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.345 175.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 m -75.07 -36.08 61.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.863 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.52 -15.81 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.287 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.3 p -54.05 -39.14 65.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 110.952 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.79 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.361 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.45 -46.06 84.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.1 m-85 -58.67 -47.55 84.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.238 176.706 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -56.29 -50.3 71.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.412 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -59.28 -40.09 85.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.561 -178.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' HG11 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -62.48 -36.27 81.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.262 -179.537 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.0 mt -62.1 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.77 -35.68 70.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.254 178.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -58.47 -39.72 80.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.634 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.1 m -90.6 -5.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.947 -175.29 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' HG22 ' A' ' 114' ' ' VAL . 54.1 mtmt -134.48 -108.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -178.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.66 4.69 1.92 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.461 0.704 . . . . 0.0 112.328 -174.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -113.42 -0.64 14.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.69 -179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.68 -159.14 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.514 -174.128 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -78.12 -67.23 0.75 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 -176.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.538 ' HG2' ' HE3' ' A' ' 179' ' ' LYS . 49.4 tptt -163.62 111.82 1.21 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 111' ' ' ILE . 67.5 mt -72.33 113.39 20.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.8 Cg_endo -91.54 127.5 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.476 2.784 . . . . 0.0 111.986 176.048 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD22 ' HB2' ' A' ' 89' ' ' PHE . 81.7 mt -119.92 139.46 52.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 -178.229 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.736 HD11 ' HG2' ' A' ' 153' ' ' GLN . 6.9 tp -141.84 122.42 14.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.273 177.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.695 HG12 ' HD1' ' A' ' 154' ' ' TYR . 14.8 p -102.32 129.23 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.711 0.767 . . . . 0.0 110.486 -178.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.522 ' HB ' HG21 ' A' ' 92' ' ' VAL . 61.2 t -118.38 131.28 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 -173.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 92.16 1.13 Allowed Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 175.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.407 ' OD1' HD22 ' A' ' 30' ' ' LEU . 8.4 t30 -86.36 150.77 24.09 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.655 -0.32 . . . . 0.0 110.965 -173.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 71.11 72.91 0.19 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.385 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -89.86 3.68 52.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 172.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.16 62.43 0.92 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.81 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 134' ' ' GLU . 0.7 OUTLIER -161.94 -54.09 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.407 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 12.9 pt-20 50.88 -59.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.871 1.668 . . . . 0.0 114.556 -176.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.947 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 9.5 pt-20 -58.99 -24.36 62.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.112 0.565 . . . . 0.0 111.995 -178.175 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.947 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.0 mtt180 -110.95 27.14 9.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.476 -171.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.651 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.0 ttp180 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -82.35 -35.71 27.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 -175.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.98 126.46 27.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.478 -178.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.715 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 57.5 Cg_exo -53.18 122.6 11.46 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 111.927 177.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -75.51 -17.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -174.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.21 -40.35 86.43 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.986 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.715 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.5 pt-20 -80.92 -19.63 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.971 177.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.34 88.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 71.6 mtp180 -62.11 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.061 173.361 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 9.3 t -64.66 -25.11 67.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.943 -178.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 -54.4 38.95 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.056 0.455 . . . . 0.0 110.223 174.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.92 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.294 176.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 37.0 tt0 -58.62 -36.85 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.429 177.059 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -80.98 -39.13 26.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 110.721 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.459 ' HB2' HG23 ' A' ' 152' ' ' VAL . 51.5 m0 -73.03 -17.12 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.093 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.24 72.23 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.891 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 150' ' ' TRP . 30.0 m -110.53 -174.75 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 -177.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.736 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -106.49 150.73 25.81 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.538 179.002 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.695 ' HD1' HG12 ' A' ' 125' ' ' VAL . 43.0 t80 -121.43 120.12 34.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.411 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.16 121.56 57.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.62 143.69 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 174.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -140.12 167.98 20.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.274 0.559 . . . . 0.0 111.45 -172.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -135.92 116.37 13.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.692 174.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.64 45.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 110.768 -179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -77.27 -44.99 27.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.188 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 163' ' ' ALA . 9.0 t -111.37 11.15 21.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.653 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.79 31.19 20.06 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.876 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.466 ' HB2' HG22 ' A' ' 161' ' ' THR . . . -69.16 101.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.399 -175.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 61.93 21.23 12.15 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.841 0.713 . . . . 0.0 112.117 177.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 168' ' ' VAL . 75.5 t -68.29 -45.94 81.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.73 -33.73 76.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.21 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.79 -49.35 75.59 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.469 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 165' ' ' VAL . 34.6 m -57.31 -30.15 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.93 -46.53 35.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 177.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.437 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 32.1 m-85 -65.16 -51.51 60.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.61 -47.56 79.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 176' ' ' ILE . 50.0 tp -60.74 -45.54 93.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.518 -179.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.98 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.464 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.4 OUTLIER -66.04 -41.29 91.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.272 -0.171 . . . . 0.0 111.247 179.271 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.564 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 20.7 mt-10 -66.87 -35.91 81.1 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.632 176.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.6 mt -64.31 -28.77 45.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.562 177.388 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 181' ' ' MET . 40.4 mtt180 -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.69 176.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 20.5 m -61.42 -32.11 72.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 179.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 11.3 mptt -59.8 -46.79 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 175.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.79 -39.19 76.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.492 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.7 mtt . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.664 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.802 0.334 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 36.7 mt-30 -65.31 -31.31 72.38 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.744 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.2 69.9 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.48 -37.45 93.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.704 177.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.543 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -61.03 -51.87 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 177.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.565 ' HB3' ' HZ3' ' B' ' 399' ' ' LYS . 7.5 mtpm? -58.51 -43.71 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.519 -176.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.33 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.87 -37.59 79.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.557 HG12 ' HB3' ' B' ' 439' ' ' LEU . 81.5 mt -53.77 -52.81 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.582 173.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -58.94 -34.95 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 42.7 ttt180 -61.96 -47.3 85.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.498 ' NE2' HG22 ' B' ' 432' ' ' VAL . 14.6 mm100 -72.58 -30.81 64.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -178.336 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.47 -43.99 95.73 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -61.62 -49.64 75.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 176.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -59.69 -51.73 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.194 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.608 HD12 HG12 ' B' ' 432' ' ' VAL . 64.4 tp -65.52 -33.23 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.732 -179.351 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -61.6 -43.77 98.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.615 177.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -53.67 55.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.471 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -55.54 -35.07 65.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 177.361 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.592 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.5 m-70 -69.22 -39.41 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.649 177.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -77.53 -53.08 8.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.72 -56.43 21.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 111.661 -174.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.48 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 80.2 mt -64.33 -26.76 68.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.355 -176.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.592 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.0 tt0 -61.12 -29.2 69.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.139 -178.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -128.06 21.52 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 157.15 111.73 0.34 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.045 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' B' ' 416' ' ' LEU . 29.1 mm -79.79 124.8 38.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 O-C-N 122.498 -0.413 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -75.21 -52.06 11.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.113 0.958 . . . . 0.0 109.327 173.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.673 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 13.8 m-20 -148.2 151.25 35.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.443 -176.401 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.64 -25.29 67.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.171 0.51 . . . . 0.0 110.086 170.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.569 ' HA ' ' OE2' ' B' ' 427' ' ' GLU . 50.1 m -61.37 -29.94 70.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 176.27 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.673 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 69.9 mmtt -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.725 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 43.8 mt-10 -67.51 -39.13 85.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.55 0.69 . . . . 0.0 109.383 176.11 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.569 ' OE2' ' HA ' ' B' ' 424' ' ' SER . 34.5 mt-10 -59.74 -47.15 86.81 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.623 ' O ' HG13 ' B' ' 432' ' ' VAL . 47.6 mmt-85 -61.76 -31.86 72.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.448 178.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 7.0 mt -55.26 -56.34 21.08 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 123.35 0.406 . . . . 0.0 110.413 177.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -60.23 -37.45 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.571 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 60.7 mm-40 -68.7 -54.93 13.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.623 HG13 ' O ' ' B' ' 428' ' ' ARG . 7.3 p -65.18 -33.15 61.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.475 . . . . 0.0 110.496 -179.124 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.451 ' HA ' HD21 ' B' ' 409' ' ' LEU . 28.2 tp60 -55.58 -53.78 52.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.17 177.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 2.8 ptm180 -66.98 -27.4 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.526 -177.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' B' ' 432' ' ' VAL . 64.5 mt -74.32 -43.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -57.41 -45.59 84.41 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.842 178.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -72.79 -32.24 65.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.685 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.94 -38.78 92.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 175.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.882 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -64.98 -48.18 74.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.274 -178.716 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.23 -28.53 69.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.428 0.633 . . . . 0.0 109.973 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -67.29 -42.31 83.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.882 ' HD3' HD12 ' B' ' 439' ' ' LEU . 50.5 mtpt -58.52 -36.19 73.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.665 175.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.26 -38.38 83.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.506 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.53 -18.61 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.454 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.13 -38.77 24.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.726 0.298 . . . . 0.0 111.22 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.915 -177.76 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.05 0.94 54.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.658 0.742 . . . . 0.0 110.11 176.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 tp -127.56 106.03 8.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.733 -1.122 . . . . 0.0 109.205 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -101.77 153.65 19.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.196 0.522 . . . . 0.0 111.422 -176.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.3 tpmt? -124.6 103.85 8.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.768 179.545 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.479 ' HB ' HD12 ' A' ' 66' ' ' ILE . 64.9 t -115.45 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.518 0.675 . . . . 0.0 110.767 -173.495 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.92 119.93 53.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.54 -177.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 49.2 mtt -87.44 120.3 28.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.006 177.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 27.1 m -99.79 149.21 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.75 149.93 7.27 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -56.15 -62.74 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.269 0.557 . . . . 0.0 110.721 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.62 -75.29 0.68 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.718 178.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.841 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . -174.64 61.61 0.12 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.91 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.67 5.77 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.193 178.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 10.3 pttt -84.72 45.16 1.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.657 0.741 . . . . 0.0 110.636 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 m -152.68 -54.26 0.12 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.798 173.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.76 71.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 111.313 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 159' ' ' ALA . 91.3 mt -65.8 -44.22 86.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.821 -178.311 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.566 HG23 ' HE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.75 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.3 -44.08 97.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.427 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -59.23 -46.33 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.916 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.23 -7.65 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.104 0.478 . . . . 0.0 111.91 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -109.26 -53.45 2.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.721 -0.612 . . . . 0.0 111.654 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.04 -12.52 19.64 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.341 0.401 . . . . 0.0 111.949 -172.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.7 18.31 11.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.456 0.646 . . . . 0.0 110.368 -173.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -128.71 154.75 46.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.587 -178.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -79.2 145.63 33.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 130.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.235 0.54 . . . . 0.0 111.211 -177.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.16 -69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.436 178.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.13 104.98 5.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.784 178.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -168.14 116.17 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.409 -175.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.83 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -117.96 -46.79 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.1 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.83 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 2.8 Cg_endo -46.06 127.48 10.65 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.492 2.128 . . . . 0.0 112.62 179.065 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.471 ' HG1' ' C ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -154.2 -27.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.462 177.799 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -53.42 -55.87 21.56 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -171.828 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.32 -24.43 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.076 0.465 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.6 76.89 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 48.3 m -91.13 171.34 9.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.844 -179.587 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' HE1' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -135.92 131.87 35.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.372 0.606 . . . . 0.0 112.122 -171.468 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -102.76 121.56 42.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.034 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -98.56 137.36 37.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.224 -179.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -107.82 125.56 51.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.145 173.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.06 146.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.61 118.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.18 0.514 . . . . 0.0 110.107 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -105.88 99.23 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.567 -176.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.17 16.52 8.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.996 173.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.42 -57.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.234 -1.46 . . . . 0.0 114.686 175.164 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.85 141.37 28.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.391 0.596 . . . . 0.0 111.788 -173.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.94 115.55 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.735 177.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.35 144.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.08 -177.29 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -113.31 134.87 54.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.305 0.574 . . . . 0.0 111.052 -174.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.663 HD11 ' SD ' ' A' ' 173' ' ' MET . 11.8 tt -135.11 120.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.911 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.5 131.87 53.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.359 -176.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.479 HD12 ' HB ' ' A' ' 17' ' ' VAL . 40.3 mm -114.41 126.91 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -173.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD22 ' CD2' ' A' ' 82' ' ' TYR . 15.8 tp -112.93 147.27 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 46' ' ' THR . 7.3 t70 -105.69 116.93 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.867 176.747 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.534 ' OG1' ' HA ' ' A' ' 20' ' ' VAL . 21.0 p -87.28 179.46 6.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 111.906 -178.186 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.689 ' HB3' ' HE2' ' A' ' 47' ' ' LYS . . . -130.15 130.04 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.397 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.54 61.56 4.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.424 -178.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -160.08 170.81 20.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.353 0.261 . . . . 0.0 110.323 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -89.3 -13.2 38.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.44 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.6 m-20 -65.66 -62.68 1.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.486 . . . . 0.0 111.302 -177.049 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HB3' HG13 ' A' ' 78' ' ' ILE . 48.2 m-85 -82.53 62.0 5.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.178 -177.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.28 -26.38 68.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.504 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.89 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -77.66 -7.47 56.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.731 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.616 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 5.4 mt -106.76 -32.9 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.333 179.152 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -92.1 -66.41 0.93 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.62 -54.5 7.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.692 . . . . 0.0 111.248 -172.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.89 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 83.2 m-20 -65.64 -17.73 64.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.69 -172.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -91.78 -30.79 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.681 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -56.99 -27.84 61.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.986 0.422 . . . . 0.0 111.974 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.628 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 24.0 m -86.34 21.68 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.134 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.507 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.8 151.7 20.06 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.683 178.313 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.466 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -122.53 -39.0 2.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.572 0.186 . . . . 0.0 111.071 178.756 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 135.0 12.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.12 176.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.27 129.56 45.08 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 122.504 -0.409 . . . . 0.0 111.289 -178.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -115.86 123.34 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 104' ' ' THR . 10.1 mp -97.4 108.66 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.631 176.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.36 114.77 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 0.0 110.897 -178.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -132.53 175.32 9.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.99 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -119.98 145.74 46.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.6 14.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.318 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 135' ' ' ARG . 6.0 p -108.66 -28.01 9.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 0.0 111.438 175.017 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -102.42 113.28 26.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.143 0.496 . . . . 0.0 110.178 178.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -74.9 -21.45 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.267 -178.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.64 -48.3 72.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.5 m -64.64 -25.4 67.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.068 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.19 -47.25 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 0.0 110.574 176.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 m -65.58 -29.96 70.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.469 177.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.47 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.191 -178.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.518 ' HA ' HD22 ' A' ' 91' ' ' LEU . 68.5 p -60.01 -41.54 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.017 0.437 . . . . 0.0 110.71 178.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.66 82.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 177.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.4 tp10 -61.62 -50.88 70.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.928 177.525 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.5 m-85 -58.76 -44.62 90.65 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 178.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -53.58 -55.47 25.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.74 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.27 -27.08 62.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.289 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -61.39 -46.82 88.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 110.041 177.188 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.4 mt -57.77 -51.33 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.044 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.14 -34.11 76.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.177 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -64.12 -36.25 83.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.931 -175.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.584 HG22 ' HG3' ' A' ' 115' ' ' LYS . 16.2 m -97.98 -13.12 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.574 -177.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HG3' HG22 ' A' ' 114' ' ' VAL . 27.6 mtpp -114.53 -106.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.119 -177.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.12 15.95 6.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.17 0.588 . . . . 0.0 112.285 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -118.49 13.87 13.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 109.901 179.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.412 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -94.23 -172.43 2.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.702 -176.421 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.57 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 13.9 t70 -81.17 -61.62 1.9 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.104 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.57 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 46.0 mmtm -142.66 156.09 45.01 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.503 HG22 HG21 ' A' ' 111' ' ' ILE . 67.3 mt -121.59 98.21 46.15 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 109.954 174.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 2.9 Cg_endo -81.5 115.29 2.83 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.57 2.847 . . . . 0.0 112.063 178.216 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.48 152.37 21.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.143 0.497 . . . . 0.0 110.473 178.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.725 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.4 tp -144.21 119.08 9.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.07 119.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.66 114.52 47.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.138 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.14 112.24 3.57 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.523 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -94.65 165.97 12.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 67.62 31.56 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.655 0.597 . . . . 0.0 109.8 179.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -62.41 -12.54 22.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.418 0.628 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.941 176.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.426 HD11 HG22 ' A' ' 96' ' ' THR . 86.1 mt -89.91 30.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.742 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.35 -24.35 64.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.102 0.41 . . . . 0.0 111.372 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.94 -14.51 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 96' ' ' THR . 97.1 mtt180 -127.14 9.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -175.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 112.03 1.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.173 0.511 . . . . 0.0 110.64 -174.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -100.88 -29.58 12.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.792 -178.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.39 116.71 67.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.528 174.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.595 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.2 Cg_exo -61.49 100.06 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.843 1.695 . . . . 0.0 109.757 172.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.466 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.4 p -69.52 -14.84 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.125 0.488 . . . . 0.0 110.674 -168.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.97 -41.88 79.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.621 176.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.9 pt-20 -78.38 -22.8 47.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.539 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.14 77.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 26.1 mtp180 -70.74 -35.56 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.761 174.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 t -63.28 -37.34 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.409 177.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 74.9 mmtt -55.81 -47.15 77.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.099 0.476 . . . . 0.0 110.199 175.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.53 76.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.652 -177.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.64 -44.5 90.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.62 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.219 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.25 -16.36 56.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.874 0.369 . . . . 0.0 111.071 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.16 29.12 59.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.792 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.42 -175.41 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 -178.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.725 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.7 pm0 -112.11 146.06 38.67 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.352 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -122.36 122.39 38.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.879 0.371 . . . . 0.0 110.437 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.88 139.2 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.37 132.77 45.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.0 p -134.33 174.73 10.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.118 0.485 . . . . 0.0 110.738 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.7 t -163.53 136.95 5.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.551 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.452 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -88.47 -3.74 58.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.208 0.528 . . . . 0.0 109.582 174.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.54 -23.34 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.665 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -123.73 -14.37 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.486 -177.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 63.97 74.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.25 -177.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.01 -161.09 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.665 -178.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -67.91 54.29 0.07 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.789 0.328 . . . . 0.0 111.398 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.1 t -69.08 -47.05 77.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 -179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.11 -35.03 79.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 -178.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.92 -47.84 84.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.611 -174.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.683 ' HB ' HD22 ' A' ' 124' ' ' LEU . 22.0 m -58.42 -30.11 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.488 0.185 . . . . 0.0 111.383 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -64.17 -56.14 16.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 68.1 m-85 -62.55 -38.56 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.203 -176.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -56.46 -50.89 70.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.71 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 176' ' ' ILE . 40.0 tp -64.99 -42.97 94.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.148 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.663 ' SD ' HD11 ' A' ' 64' ' ' ILE . 45.7 mtp -59.31 -33.71 71.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.04 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.552 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 12.2 mmt180 -75.45 -38.24 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.216 179.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 11.6 mm-40 -53.39 -36.54 61.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.265 0.555 . . . . 0.0 111.847 174.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.497 HD11 ' HA ' ' A' ' 173' ' ' MET . 58.1 mt -66.66 -24.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.657 -177.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.552 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 83.6 mtm180 -53.62 -51.34 63.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.846 0.355 . . . . 0.0 111.363 -179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.5 m -63.99 -31.67 72.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.883 -177.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 120' ' ' LYS . 13.2 mptt -68.87 -42.58 76.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.612 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -73.74 -45.61 50.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.701 -177.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -177.733 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.503 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.9 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.494 0.188 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 90.5 mt-30 -57.99 -39.37 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.394 178.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.09 -51.62 65.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 177.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.07 -44.37 95.92 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.121 178.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.607 ' O ' HG13 ' B' ' 402' ' ' ILE . 38.4 mm -55.27 -50.67 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.563 0.221 . . . . 0.0 110.806 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 61.5 mtpt -61.53 -39.34 90.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.361 -177.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.404 ' CD ' HH21 ' B' ' 403' ' ' ARG . 9.1 mm-40 -65.59 -39.27 91.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.777 177.621 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 175.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.624 HG12 ' HG ' ' B' ' 439' ' ' LEU . 67.8 mt -60.77 -51.18 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 177.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.404 HH21 ' CD ' ' B' ' 400' ' ' GLU . 36.9 mtm180 -57.31 -35.17 69.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.497 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -67.64 -44.96 76.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.421 ' HB2' HD11 ' B' ' 436' ' ' LEU . 82.9 mm-40 -72.93 -35.43 67.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 0.0 110.456 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.456 ' HG2' HD23 ' B' ' 436' ' ' LEU . 55.0 mt-10 -65.46 -35.6 81.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.5 -49.82 76.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.381 173.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -44.86 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.437 HD21 ' HB ' ' B' ' 432' ' ' VAL . 2.3 tm? -61.92 -48.05 82.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.71 -44.82 90.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.886 177.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -53.85 49.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.243 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -52.57 -53.81 41.43 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.591 0.356 . . . . 0.0 111.875 176.857 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.29 -50.22 74.38 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -77.19 -30.07 54.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.759 -172.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.04 -49.62 64.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.304 0.573 . . . . 0.0 110.022 178.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 44.8 mt -70.22 -32.61 70.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.217 -177.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.423 ' CG ' ' H ' ' A' ' 77' ' ' ALA . 10.0 mt-30 -67.32 -9.84 45.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.836 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.14 -9.72 86.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.146 175.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.16 17.01 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.854 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.1 mt -102.97 129.51 54.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.86 137.32 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.959 0.885 . . . . 0.0 112.379 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.9 t70 -148.76 171.66 15.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.271 177.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 0.2 OUTLIER -72.94 -24.75 60.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 118.916 0.78 . . . . 0.0 109.786 174.306 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 m -65.24 -38.55 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.201 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.724 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -70.42 -34.91 73.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.7 -172.734 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.724 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -72.98 -37.28 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.638 0.256 . . . . 0.0 110.311 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.15 -43.57 91.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.525 175.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.575 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.41 -37.13 82.61 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.937 -179.191 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' B' ' 412' ' ' LEU . 11.0 mt -56.64 -56.35 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.803 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.635 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 67.3 m95 -61.72 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.376 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 5.3 mm-40 -63.73 -54.32 37.26 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.2 177.382 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.1 t -56.49 -35.96 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.891 0.853 . . . . 0.0 108.962 177.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 28.3 tp60 -60.73 -58.72 7.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.408 -177.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.78 -26.53 65.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.727 -177.622 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.97 -52.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 173.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' B' ' 406' ' ' GLU . 26.9 tp -61.76 -44.83 96.12 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.041 -177.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.586 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.6 t -65.37 -40.82 94.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.034 -175.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.57 -36.21 80.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.624 ' HG ' HG12 ' B' ' 402' ' ' ILE . 31.4 tp -67.49 -37.0 82.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.372 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -62.71 -39.68 94.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.442 0.639 . . . . 0.0 109.691 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 2.7 tmt_? -66.97 -40.88 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.208 177.07 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -57.95 -31.96 67.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.083 176.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.499 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.6 tp -63.86 -43.64 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.371 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -80.65 -3.52 50.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.422 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -99.53 -30.79 11.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 110.491 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.474 -177.632 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HB3' ' HG3' ' A' ' 180' ' ' LYS . 1.1 pt? . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.76 -10.19 59.22 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.097 0.951 . . . . 0.0 109.599 173.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 7.7 mp -119.4 135.75 54.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.621 171.276 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -120.49 118.04 29.23 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.079 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' N ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -96.11 107.54 19.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.915 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.18 124.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.577 0.703 . . . . 0.0 111.417 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mt -113.31 128.75 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.532 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.6 mtt -89.9 104.57 17.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.247 0.546 . . . . 0.0 109.847 174.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.58 HG21 HD22 ' A' ' 91' ' ' LEU . 6.3 m -100.02 95.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.769 0.795 . . . . 0.0 111.978 -174.4 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -108.35 174.22 18.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 169.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.693 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 11.7 p -73.81 -95.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.748 0.774 . . . . 0.0 110.269 -174.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -52.55 12.99 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 173.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.896 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 164.33 102.34 0.17 Allowed Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.009 175.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 93' ' ' PHE . 57.1 t -92.51 -82.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.767 0.317 . . . . 0.0 110.295 177.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -121.01 12.73 9.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.907 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.896 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 51.5 pttt -72.39 -20.09 61.5 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.391 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -96.35 -31.18 13.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.338 172.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.57 -52.48 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.251 -174.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.878 HD12 HD22 ' A' ' 128' ' ' ASN . 83.1 mt -70.82 -35.72 72.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -170.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -66.16 -41.23 90.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -175.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.05 -34.91 77.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 177.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.951 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.0 mm-40 -64.24 -46.16 84.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.364 179.077 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -70.69 -22.29 62.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 51' ' ' TYR . 52.2 ttm -88.33 -52.74 5.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.265 -175.022 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.75 -6.66 9.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -175.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 68.38 8.15 6.44 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.05 140.94 32.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 110.466 -179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.951 ' HA ' HE22 ' A' ' 33' ' ' GLN . 81.6 t80 -76.77 135.15 38.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -69.77 106.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 111.428 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.71 -48.14 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -155.86 94.84 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.036 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -152.22 105.12 3.02 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.737 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.9 mm-40 -100.89 -41.81 0.22 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.3 Cg_endo -44.78 116.76 1.25 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.686 2.257 . . . . 0.0 113.037 176.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.01 29.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.298 176.484 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -86.6 -57.81 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.965 -173.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.88 -2.01 7.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.306 0.574 . . . . 0.0 110.557 175.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.29 122.21 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.712 0.768 . . . . 0.0 110.956 -176.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 t -143.41 170.46 15.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 91.6 m-85 -134.6 136.05 42.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -171.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -75.45 106.19 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 -177.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -101.34 135.54 42.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 37.3 ttmt -109.82 140.05 44.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.53 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.63 -179.53 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.2 p -152.32 114.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.764 -0.585 . . . . 0.0 111.658 172.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.35 96.05 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 18.79 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 125.096 1.497 . . . . 0.0 113.909 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.12 -106.75 0.3 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.896 -178.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.8 pt-20 -103.51 151.55 22.73 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 94.1 mt-10 -62.47 120.75 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.379 0.609 . . . . 0.0 110.79 -178.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.26 144.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.314 -174.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 59.9 mt-30 -113.49 136.33 52.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.154 -177.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 HD12 ' SD ' ' A' ' 173' ' ' MET . 19.7 tt -113.85 140.75 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -115.29 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.96 -174.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.34 135.95 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.855 -175.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.6 tp -132.05 135.08 46.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.748 172.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -100.87 166.32 10.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 p -131.96 132.86 43.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -173.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 102.32 8.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -89.58 77.9 1.64 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.418 -172.403 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 75' ' ' TYR . 1.4 pp -155.51 170.18 22.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.62 -38.86 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.703 0.627 . . . . 0.0 112.346 -173.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.97 -68.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.121 -175.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.771 ' HB3' HG12 ' A' ' 78' ' ' ILE . 50.9 m-85 -79.96 62.1 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.276 -171.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.97 67.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.675 . . . . 0.0 110.204 174.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 81' ' ' ASN . . . -74.89 -6.78 51.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.823 -178.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.771 HG12 ' HB3' ' A' ' 75' ' ' TYR . 15.2 mm -96.85 -41.61 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -92.11 -65.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.048 0.452 . . . . 0.0 111.757 -173.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.82 -33.0 62.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.56 0.695 . . . . 0.0 110.974 -170.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.708 HD22 HD22 ' B' ' 416' ' ' LEU . 53.7 t30 -76.97 -19.51 57.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.915 -173.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' OH ' HD11 ' B' ' 409' ' ' LEU . 4.6 m-85 -94.17 -13.03 27.12 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.425 ' HB2' HG21 ' A' ' 114' ' ' VAL . 16.6 m-85 -62.02 -22.97 66.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -51.65 -61.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.3 m -93.02 25.7 3.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -175.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.68 174.17 51.14 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.906 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 45.7 tt0 -141.59 -70.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -176.002 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.61 13.61 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.627 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.01 127.56 48.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.128 0.49 . . . . 0.0 111.267 -176.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 124' ' ' LEU . 91.5 mt -107.55 111.2 23.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.136 176.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 20' ' ' VAL . 96.0 mt -79.02 106.87 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' A' ' 126' ' ' VAL . 14.9 m -111.8 114.67 47.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 0.0 111.092 -176.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.408 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -133.16 171.88 13.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.963 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -109.7 130.28 55.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.63 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -8.89 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.306 0.574 . . . . 0.0 110.119 -179.151 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.547 HG21 ' CD2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.78 -40.4 48.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.05 -179.419 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -101.66 109.44 21.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.64 -26.1 67.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.138 0.494 . . . . 0.0 110.082 177.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.66 -47.52 84.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.45 175.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 m -59.33 -35.82 74.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.83 -35.19 78.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.227 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 m -66.34 -27.38 67.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.126 0.489 . . . . 0.0 111.309 -176.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.53 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.7 p -57.11 -40.41 77.01 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.83 -177.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.36 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.55 -48.46 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.081 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 111' ' ' ILE . 15.4 m-85 -57.73 -45.04 86.35 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.242 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -55.51 -52.34 64.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 -177.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.9 mt-10 -62.07 -45.5 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.637 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -55.92 -39.82 72.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.558 0.218 . . . . 0.0 110.952 179.264 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.4 mt -65.22 -52.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.806 177.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.18 -37.03 81.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 98.9 mtt180 -67.78 -32.61 73.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 110' ' ' GLN . 32.6 m -97.97 -13.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.28 -87.4 0.48 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.167 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.47 -68.06 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.968 0.907 . . . . 0.0 113.248 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -84.48 44.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 111.933 -172.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.0 171.15 8.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.58 -68.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.572 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.575 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 73.3 mmtt -151.76 131.6 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.83 98.32 9.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 73.2 Cg_endo -90.19 130.95 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.263 2.642 . . . . 0.0 112.442 -178.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.527 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.9 mp -127.03 137.76 53.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.501 . . . . 0.0 110.743 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' A' ' 153' ' ' GLN . 6.8 tp -123.66 119.8 30.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 91' ' ' LEU . 14.3 t -89.64 121.47 39.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.106 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.8 t -105.35 125.81 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.79 -176.578 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.47 91.42 1.42 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.901 177.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.878 HD22 HD12 ' A' ' 30' ' ' LEU . 20.6 m120 -83.21 167.22 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.427 0.156 . . . . 0.0 110.739 -178.217 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.6 mmmt 64.98 14.92 9.66 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.929 0.768 . . . . 0.0 111.319 179.267 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -71.56 -7.67 49.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.991 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -86.27 17.47 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.595 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 135' ' ' ARG . 2.8 tp -94.48 -51.53 4.72 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 71.14 -56.62 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.986 0.914 . . . . 0.0 112.39 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.12 -55.7 5.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HB2' HD22 ' A' ' 132' ' ' LEU . 72.7 mtt180 -115.21 47.83 1.25 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.043 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -63.9 112.27 2.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -88.36 -27.46 21.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.75 110.71 59.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 179.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.68 115.06 2.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.302 2.001 . . . . 0.0 110.409 173.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 21.2 t -59.62 -26.1 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.066 -175.127 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.33 -56.67 17.38 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.15 -21.94 55.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.743 0.306 . . . . 0.0 111.089 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . . . -65.86 -41.55 91.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.029 0.442 . . . . 0.0 110.224 175.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 48.1 mtp180 -71.65 -31.84 67.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.138 177.156 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.7 t -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.6 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.3 mmtp -65.82 -29.94 70.49 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.029 178.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.14 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 175.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -65.91 -36.2 82.74 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.733 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.1 -39.9 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.831 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -98.27 0.3 45.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.095 -175.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.07 38.49 88.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 25.8 m -126.08 -175.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -177.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.628 ' HG2' HD12 ' A' ' 124' ' ' LEU . 12.6 pm0 -112.97 153.07 28.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.157 176.055 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.416 ' HE2' HG12 ' A' ' 140' ' ' VAL . 94.0 t80 -122.5 125.76 46.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.608 177.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.6 133.0 62.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.101 -179.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.07 130.6 34.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 30.6 m -134.88 130.07 35.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.444 0.64 . . . . 0.0 111.339 -177.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 162' ' ' ARG . 10.2 p -106.8 132.64 52.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.853 178.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.93 -11.86 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.73 -176.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -85.04 -49.79 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.111 0.481 . . . . 0.0 109.87 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.41 -24.04 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.315 174.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 158' ' ' SER . 70.6 mtm180 65.48 85.49 0.14 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.509 179.075 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.45 135.04 29.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 69.02 10.9 8.15 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.79 0.681 . . . . 0.0 111.501 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.414 HG11 HD21 ' A' ' 30' ' ' LEU . 94.9 t -66.83 -43.83 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.281 -178.159 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.64 -49.75 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 26.8 m -60.29 -25.71 34.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -175.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -75.66 -57.38 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.398 176.135 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.402 ' HA ' ' HB2' ' A' ' 173' ' ' MET . 66.6 m-85 -66.38 -33.32 75.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.3 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.54 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.282 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 122' ' ' PRO . 35.3 tp -73.11 -35.32 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.638 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.492 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.9 mtp -63.14 -30.84 71.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.561 -178.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 20.4 mmm180 -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.748 176.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.723 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 23.4 mt-10 -62.43 -35.17 78.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.836 176.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.47 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mt -55.93 -25.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.26 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -71.23 -49.37 44.01 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.3 m -62.72 -29.7 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.264 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.723 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 34.5 mmtt -66.77 -46.09 76.45 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.08 0.467 . . . . 0.0 110.021 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.469 ' HG3' ' HB3' ' A' ' 12' ' ' LEU . 44.4 mmtm -74.66 -35.7 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.267 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.421 ' HE1' HD13 ' A' ' 12' ' ' LEU . 62.2 mtt . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -175.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.419 ' HG2' ' HB1' ' B' ' 446' ' ' ALA . 42.6 mt-30 -66.05 -27.13 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.39 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.11 -54.91 33.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.619 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.95 -34.84 91.01 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.824 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.573 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.6 mm -64.54 -53.51 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.541 178.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.2 mttt -58.31 -43.66 88.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.419 -177.136 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 49.4 mm-40 -74.5 -37.27 63.16 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.272 176.089 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.652 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.6 mt -55.64 -53.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.49 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.4 mmm180 -62.93 -33.51 75.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.114 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.659 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 44.0 ttt180 -59.72 -52.25 66.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 176.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 66.9 mm-40 -73.45 -32.15 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.618 -176.711 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 48.7 mt-10 -60.16 -43.43 95.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.617 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.87 -43.31 75.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.831 177.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.4 mt -60.57 -52.22 66.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.094 -178.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.549 HD12 HG11 ' B' ' 432' ' ' VAL . 55.4 tp -66.63 -32.72 74.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -62.39 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.255 175.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.1 t -59.85 -51.88 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.535 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -51.94 -43.17 63.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 175.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 12.9 m170 -67.97 -38.23 82.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.67 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -77.6 -52.43 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.75 -53.57 56.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 111.611 -176.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.708 HD22 HD22 ' A' ' 81' ' ' ASN . 1.9 mp -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.337 -175.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.3 tt0 -67.38 -11.98 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.011 -176.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.18 5.96 84.19 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.341 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.77 9.25 57.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.269 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.93 126.98 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -133.24 144.09 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.93 0.872 . . . . 0.0 112.37 -177.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.7 t70 -151.53 168.61 24.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 173.062 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.63 -30.0 63.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.807 0.813 . . . . 0.0 109.254 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.3 m -68.08 -32.15 72.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.325 -178.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.729 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.09 -37.03 72.43 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.351 -172.858 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.729 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.4 pt-20 -74.36 -44.39 52.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.88 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 176.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.472 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.2 mmt180 -65.5 -39.48 91.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.019 175.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 10.1 mt -55.41 -52.68 62.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.577 0.548 . . . . 0.0 111.831 -176.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.604 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 86.9 m95 -70.77 -44.67 66.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.398 -176.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.403 ' O ' HG13 ' B' ' 435' ' ' ILE . 9.2 mm-40 -60.25 -52.72 64.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.768 -178.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.6 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.3 p -62.19 -34.04 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.43 -48.13 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.149 176.142 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.3 mpt_? -68.08 -39.74 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.767 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' B' ' 432' ' ' VAL . 34.8 mt -62.24 -42.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 178.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' B' ' 406' ' ' GLU . 2.8 tm? -57.78 -48.42 79.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.132 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.459 HG21 ' HA ' ' B' ' 434' ' ' ARG . 14.5 t -74.13 -32.49 63.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.966 -176.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.72 -36.12 82.71 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 109.949 175.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.652 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -62.18 -50.2 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.964 176.687 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -63.17 -29.2 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.319 0.58 . . . . 0.0 110.751 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -68.61 -46.0 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.6 mmmm -64.42 -27.84 69.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 177.555 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.646 ' HB2' HD13 ' B' ' 402' ' ' ILE . 65.6 tp -60.66 -46.13 91.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -81.9 -5.98 58.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.997 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.464 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.9 tp10 -93.23 -10.58 35.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.282 0.563 . . . . 0.0 110.169 177.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.419 ' HB1' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.987 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.595 HD22 ' HE3' ' A' ' 180' ' ' LYS . 63.9 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.0 14.54 3.44 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 175.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 60.8 tp -150.97 148.22 28.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -137.5 143.27 41.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.664 ' CG ' ' HA2' ' A' ' 86' ' ' GLY . 13.3 tppt? -117.99 107.39 13.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.226 0.536 . . . . 0.0 111.348 174.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 26.9 m -117.65 138.19 49.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.778 173.289 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 ' HB ' ' CD2' ' A' ' 89' ' ' PHE . 70.4 mt -127.85 126.01 65.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.218 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.451 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 59.8 mtt -93.24 135.42 34.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 m -132.5 143.61 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.309 176.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.44 83.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.744 -177.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.516 ' H ' ' HZ ' ' A' ' 107' ' ' PHE . 46.1 m 56.75 -154.38 0.34 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.037 0.492 . . . . 0.0 110.041 -177.31 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.43 -48.26 55.04 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.868 175.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.749 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 170.31 63.92 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.605 175.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.7 t -51.44 -67.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 O-C-N 123.949 0.44 . . . . 0.0 112.054 -176.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.22 3.93 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.155 -176.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.749 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 21.2 pttp -87.46 38.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.618 0.723 . . . . 0.0 111.586 -173.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -141.96 -44.07 0.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.161 173.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.35 48.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.73 -36.45 81.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.28 0.562 . . . . 0.0 110.59 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -49.73 67.91 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.219 -177.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 40' ' ' VAL . 20.8 tp -62.58 -35.76 80.54 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.061 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 57.2 mm-40 -56.47 -47.09 79.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.247 0.546 . . . . 0.0 110.868 176.151 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -72.93 -31.42 64.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 55.1 mtm -86.44 -56.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -110.77 -0.57 16.97 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t70 69.51 16.54 8.14 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 177.126 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -116.96 150.66 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.283 -177.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.08 150.81 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' HA ' HD22 ' A' ' 32' ' ' LEU . 6.5 p -71.81 102.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.895 0.855 . . . . 0.0 112.453 -173.306 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -101.0 -40.99 6.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.604 174.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.03 117.69 9.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.845 -177.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -171.58 91.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.774 173.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 53.1 mm-40 -78.77 -45.85 1.86 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.89 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 Cg_endo -59.71 104.36 0.22 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.636 1.558 . . . . 0.0 111.394 173.105 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 44' ' ' GLU . 9.1 t -156.11 13.64 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.253 -176.463 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -85.17 -59.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.375 -177.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.53 -5.48 5.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.384 173.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.54 145.73 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.522 -173.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.6 p -142.29 161.82 37.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.169 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 61.4 t80 -140.91 138.93 34.22 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.21 121.31 41.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.209 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -98.02 133.06 43.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.15 -177.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -93.77 122.77 36.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.341 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.22 143.86 34.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.545 174.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -120.83 126.1 74.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.041 0.448 . . . . 0.0 110.351 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -108.52 95.98 6.03 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.231 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 46.67 31.31 1.36 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.217 0.948 . . . . 0.0 112.617 175.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.26 -109.47 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.816 -1.183 . . . . 0.0 114.011 -174.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 56' ' ' VAL . 8.8 pt-20 -101.96 152.72 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -175.011 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -70.77 117.55 12.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.18 0.514 . . . . 0.0 109.875 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.25 147.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.477 -174.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 26.3 mt-30 -113.02 129.92 56.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.319 0.581 . . . . 0.0 110.605 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.537 HD12 ' SD ' ' A' ' 173' ' ' MET . 8.3 tt -111.64 122.13 65.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.372 175.08 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CG ' ' HZ2' ' A' ' 16' ' ' LYS . 25.6 t0 -99.72 110.85 23.23 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.22 138.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.69 0.281 . . . . 0.0 110.49 -174.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.685 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 50.6 tp -116.63 132.71 56.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.617 -177.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -101.43 111.24 23.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 p -83.73 159.9 21.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 110.74 21.53 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 173.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.54 65.34 4.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.708 -178.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -153.0 168.56 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 110.767 179.063 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.81 -21.12 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.7 -177.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.426 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.1 m-20 -58.98 -72.46 0.1 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.509 0.671 . . . . 0.0 111.395 -177.236 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' HG13 ' A' ' 78' ' ' ILE . 87.1 m-85 -80.61 68.34 6.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.061 -174.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.75 65.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -69.68 -7.21 37.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.268 178.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 75' ' ' TYR . 49.0 mt -102.04 -22.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.0 109.826 176.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 110' ' ' GLN . 21.8 mtt180 -87.87 -65.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.25 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.49 -51.51 62.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.37 -170.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 56.1 m-20 -69.41 -48.08 62.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.02 -173.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -66.5 -29.81 70.0 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.846 -175.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.431 ' CB ' HG22 ' A' ' 114' ' ' VAL . 9.2 m-30 -69.04 -31.59 70.49 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -174.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -59.37 -44.54 92.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.843 0.354 . . . . 0.0 111.397 -176.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 29.8 t -82.91 19.21 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -178.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.664 ' HA2' ' CG ' ' A' ' 16' ' ' LYS . . . -95.43 151.67 20.1 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.442 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.519 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 34.5 mt-10 -112.21 -68.95 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 17' ' ' VAL . . . -106.31 149.34 16.63 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CD2' ' HB ' ' A' ' 18' ' ' ILE . 83.1 m-85 -129.52 148.09 51.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.107 0.479 . . . . 0.0 111.014 -176.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 124' ' ' LEU . 82.7 mt -118.23 113.71 21.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.682 -178.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.823 HD12 HG21 ' A' ' 125' ' ' VAL . 45.5 mt -86.95 106.85 18.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 126' ' ' VAL . 20.3 m -111.67 115.65 50.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.429 0.633 . . . . 0.0 111.631 -175.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -139.37 159.44 42.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.468 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.474 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 13.6 p -111.96 141.86 45.08 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.136 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.34 14.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.814 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.501 HG21 HD23 ' A' ' 132' ' ' LEU . 32.0 p -102.1 -21.07 14.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 0.0 109.649 174.15 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 15.2 mm-40 -105.56 113.32 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.14 -176.402 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -71.81 -26.82 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.24 -57.88 10.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' HB1' ' A' ' 103' ' ' ALA . 11.9 p -67.54 -26.44 66.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -175.376 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.55 -49.46 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.573 176.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 m -72.11 -29.1 63.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.386 0.613 . . . . 0.0 110.373 177.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 100' ' ' SER . . . -70.1 -15.37 62.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.056 -178.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 100' ' ' SER . 41.3 p -57.62 -39.01 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 179.21 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.68 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.55 177.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -70.7 -45.71 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.919 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.516 ' HZ ' ' H ' ' A' ' 22' ' ' SER . 19.3 m-85 -57.5 -49.81 75.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.11 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -54.44 -57.42 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.84 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 35.1 mt-10 -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.381 -177.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 7.2 tp-100 -71.25 -32.78 69.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.181 0.515 . . . . 0.0 110.401 178.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.58 HG21 HD13 ' A' ' 121' ' ' ILE . 67.7 mt -73.83 -42.45 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.468 178.128 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 121' ' ' ILE . 6.7 mp -77.49 -5.2 49.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.212 0.529 . . . . 0.0 110.516 176.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 109' ' ' GLU . 19.3 tpp180 -78.5 -27.46 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.509 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.4 m -109.25 -25.2 3.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.959 -177.15 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 28.4 mtmt -125.5 154.65 41.77 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.847 0.356 . . . . 0.0 110.115 -178.021 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.112 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.23 4.62 24.9 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -59.56 -63.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 176.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.407 ' OD1' ' HD2' ' A' ' 179' ' ' LYS . 11.2 t70 -161.22 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 171.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.21 179.04 7.78 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 172.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.58 HD13 HG21 ' A' ' 111' ' ' ILE . 76.6 mt -127.44 100.44 25.9 Favored Pre-proline 0 C--N 1.308 -1.226 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.387 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.432 ' HB2' HD11 ' A' ' 172' ' ' LEU . 5.2 Cg_exo -77.61 108.17 2.52 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.3 2.667 . . . . 0.0 111.84 178.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 121' ' ' ILE . 4.2 mp -106.09 121.53 44.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.05 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -104.69 117.46 34.15 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.823 HG21 HD12 ' A' ' 91' ' ' LEU . 14.3 t -84.99 114.67 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.96 -178.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.597 ' HB ' HG13 ' A' ' 92' ' ' VAL . 43.7 t -108.78 109.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.524 -177.192 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.87 93.57 1.76 Allowed Glycine 0 CA--C 1.507 -0.447 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 176.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -88.97 166.1 14.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -175.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.542 ' HA ' ' OD2' ' A' ' 131' ' ' ASP . 9.9 mptt 63.9 58.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 -171.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.8 m -84.89 8.14 18.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.71 0.766 . . . . 0.0 109.153 170.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -77.85 -21.61 51.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.668 -176.087 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -80.81 -54.66 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.683 -178.049 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 65.24 -74.26 0.05 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.713 0.805 . . . . 0.0 112.037 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.82 -12.52 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.612 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 57.1 mtt180 -86.07 9.69 16.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.906 0.384 . . . . 0.0 110.3 178.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.97 113.43 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.343 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -103.38 -18.97 14.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.176 0.513 . . . . 0.0 110.394 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.08 121.56 31.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.786 176.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.03 108.29 0.29 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -72.84 -13.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.846 -176.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.88 -47.26 80.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.251 178.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.43 -24.42 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.758 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.8 75.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.101 0.477 . . . . 0.0 110.196 175.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.9 mtp180 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.999 174.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 15.4 t -68.78 -25.3 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.82 -178.073 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -63.2 -43.23 98.76 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.291 -0.256 . . . . 0.0 111.588 171.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.618 . . . . 0.0 109.597 174.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.478 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 32.4 tt0 -59.95 -38.35 82.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.888 175.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.84 -44.62 93.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.103 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -88.79 -8.52 54.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.895 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.63 38.52 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.518 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.68 -172.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.521 0.201 . . . . 0.0 110.946 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.678 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.2 pm0 -108.56 147.46 31.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -117.68 126.3 52.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.647 174.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.43 120.43 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -84.11 134.37 34.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.7 p -126.21 130.29 50.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.409 0.624 . . . . 0.0 112.392 -175.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.9 t -93.95 110.74 22.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 171.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -91.32 -3.85 56.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.354 -173.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -96.06 -12.55 24.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.293 178.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.2 p -126.59 -8.78 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.361 0.601 . . . . 0.0 109.982 -177.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 62.99 77.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.584 -175.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -126.8 123.87 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.022 177.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 68.12 10.96 8.16 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.135 0.897 . . . . 0.0 111.528 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.6 t -72.01 -49.31 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 110.272 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.84 -30.5 71.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.574 179.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 60.5 tttp -60.33 -56.29 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.826 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.71 -27.14 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -74.63 -54.89 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.033 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -70.33 -34.77 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.329 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.5 OUTLIER -58.84 -51.37 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.347 -177.933 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 122' ' ' PRO . 49.7 tp -71.93 -37.4 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.577 -178.097 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.537 ' SD ' HD12 ' A' ' 64' ' ' ILE . 46.1 mtm -58.41 -30.17 66.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.913 -178.644 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 174' ' ' ARG . 15.8 mmt180 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.048 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.04 -30.32 71.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.897 0.38 . . . . 0.0 110.531 177.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.3 mt -62.13 -36.9 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 176.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -59.86 -44.5 94.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.5 m -62.72 -32.19 73.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.407 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 68.2 mmtt -69.83 -37.63 76.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.096 0.474 . . . . 0.0 111.262 177.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.595 ' HE3' HD22 ' A' ' 12' ' ' LEU . 26.6 mtpp -76.0 -30.15 58.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.09 0.471 . . . . 0.0 110.438 177.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.461 179.908 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.485 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.3 m . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.95 0.405 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -60.24 -31.65 70.4 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.226 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.73 63.99 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 110.665 178.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -66.48 -39.39 94.03 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.017 178.283 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.601 HD13 ' HB3' ' B' ' 442' ' ' LYS . 50.0 mm -59.31 -51.3 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.299 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.11 -39.22 78.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.174 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.58 -43.69 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 176.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' B' ' 439' ' ' LEU . 53.5 mt-10 -65.97 -44.05 86.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.627 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.0 mt -53.46 -54.22 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.566 179.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.3 -29.31 68.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.733 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.22 -52.69 63.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.42 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.0 mm-40 -66.59 -28.29 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -177.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.53 -41.32 89.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.073 173.193 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -67.86 -52.12 40.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 178.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.409 ' O ' HD21 ' B' ' 412' ' ' LEU . 7.4 mp -56.41 -46.45 80.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.526 HD11 HD13 ' B' ' 429' ' ' LEU . 26.9 tp -66.04 -37.42 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 110.259 179.011 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.41 -37.88 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.151 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 15.6 t -59.47 -53.02 62.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.449 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.409 HD21 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -57.26 -36.56 71.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.103 0.478 . . . . 0.0 110.774 175.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.685 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.6 m-70 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.693 -178.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -78.01 -44.53 26.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -59.48 -54.74 43.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 -175.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -70.89 -25.98 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.335 -175.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.685 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.4 tt0 -64.5 -16.64 62.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 -176.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.11 0.42 67.32 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.908 178.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 -3.99 34.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.503 176.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.634 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 11.4 mt -107.53 135.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 166.48 32.62 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.263 170.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.638 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 17.8 t70 -147.99 159.57 43.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.472 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 0.5 OUTLIER -64.2 -29.43 70.54 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.434 -175.473 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -64.55 -39.57 93.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 0.0 109.661 177.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.638 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 17.1 mttt -73.62 -43.47 59.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.793 -175.205 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 38.4 mt-10 -58.68 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -178.09 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.22 -34.86 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -68.3 -33.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.139 177.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.526 HD13 HD11 ' B' ' 409' ' ' LEU . 11.9 tp -67.38 -40.22 85.68 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.217 -178.148 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.685 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 7.3 m95 -69.46 -44.17 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.808 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.433 ' O ' HG13 ' B' ' 435' ' ' ILE . 15.4 mm-40 -59.65 -52.69 64.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.59 ' HA ' HD11 ' B' ' 435' ' ' ILE . 14.7 p -60.76 -35.04 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.2 tp60 -57.86 -48.62 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.548 0.69 . . . . 0.0 110.258 174.512 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.603 ' HA ' HG21 ' B' ' 437' ' ' THR . 29.6 mtt180 -70.58 -27.15 63.89 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -71.83 -40.1 68.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' B' ' 440' ' ' LYS . 3.3 tm? -57.34 -46.01 83.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.395 172.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.603 HG21 ' HA ' ' B' ' 434' ' ' ARG . 5.1 t -74.27 -29.53 61.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.919 0.39 . . . . 0.0 110.666 -177.013 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.36 -35.69 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.867 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -65.74 -36.77 84.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.575 176.568 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 436' ' ' LEU . 46.6 mtpt -59.53 -36.5 76.25 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 109.551 175.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -67.66 -45.27 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.011 176.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.867 ' HD3' HD12 ' B' ' 439' ' ' LEU . 50.4 mtpt -57.85 -37.93 74.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.596 ' HB2' HD12 ' B' ' 402' ' ' ILE . 2.9 tm? -63.77 -44.96 91.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.25 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -81.61 -1.83 47.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.0 0.429 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -95.41 -21.5 18.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.53 178.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.241 -176.431 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.557 0.218 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.61 1.71 32.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.202 0.525 . . . . 0.0 112.359 -169.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.7 tp -128.27 123.1 33.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.462 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -119.95 134.65 55.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.292 -177.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 51.3 mmtt -111.32 110.17 20.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 64' ' ' ILE . 7.6 p -123.94 129.25 74.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.396 0.617 . . . . 0.0 111.118 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.22 116.0 51.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.735 176.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 ttt -90.16 118.16 29.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.167 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.57 171.8 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.22 0.534 . . . . 0.0 111.88 -173.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.69 -169.97 43.08 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -178.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -63.58 -65.33 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.111 0.455 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.82 -71.71 0.23 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.25 43.37 0.6 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.445 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' CG1' HD22 ' A' ' 128' ' ' ASN . 24.5 t -44.38 -63.87 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 O-C-N 124.521 0.777 . . . . 0.0 112.294 -176.095 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.4 10.12 1.11 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.678 177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 13.6 pttp -83.49 27.5 0.6 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.182 0.515 . . . . 0.0 111.039 -174.576 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -153.6 -38.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.248 0.547 . . . . 0.0 110.059 -172.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.26 14.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.489 177.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.04 -31.37 72.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.547 -174.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 HG23 ' A' ' 66' ' ' ILE . 17.9 p -68.86 -36.23 77.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.336 -178.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 HG23 ' A' ' 40' ' ' VAL . 10.1 tt -64.43 -41.46 96.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 176.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -63.47 -35.53 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.33 -12.13 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.596 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.6 mtm -106.51 -50.07 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 111.61 -179.725 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 43.4 m-85 -93.22 -11.91 31.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.678 -174.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 24.6 t70 75.19 -28.35 0.19 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.392 0.677 . . . . 0.0 111.728 -178.675 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 36' ' ' TYR . 11.5 pt-20 -96.87 170.43 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.996 0.427 . . . . 0.0 111.166 -176.205 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -87.14 147.45 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.346 -173.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG23 HD22 ' A' ' 32' ' ' LEU . 17.8 t -70.67 120.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.384 -177.053 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -108.44 -45.23 3.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.225 0.535 . . . . 0.0 109.903 173.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -146.14 112.3 5.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -173.19 91.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.571 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.5 mp0 -87.02 -54.52 0.38 Allowed Pre-proline 0 CA--C 1.538 0.482 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.873 -178.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 10.2 Cg_endo -49.56 102.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 123.421 2.748 . . . . 0.0 113.672 -173.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.567 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -165.15 52.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.343 176.117 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -86.89 -57.46 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.094 0.473 . . . . 0.0 110.675 -177.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.76 11.88 6.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.639 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.27 121.17 18.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.5 -170.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.2 p -96.7 139.81 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.615 ' HH ' ' HB2' ' A' ' 68' ' ' ASP . 1.1 p90 -129.91 121.9 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.463 0.649 . . . . 0.0 111.273 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -98.23 117.63 33.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.215 -177.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 57.1 tptt -111.63 128.61 56.11 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -90.24 125.69 35.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.5 m -136.68 145.13 30.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.48 102.5 14.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.736 0.779 . . . . 0.0 110.385 177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -91.05 107.9 19.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.258 175.706 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 23.5 t70 78.42 -48.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.826 174.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.21 -55.08 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.002 -1.571 . . . . 0.0 114.981 -172.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' HG21 ' A' ' 62' ' ' VAL . 7.0 pt-20 -98.24 145.22 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.706 0.753 . . . . 0.0 111.824 -171.531 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -73.2 107.82 5.74 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 60' ' ' GLU . 4.8 t -107.94 148.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.648 -175.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -113.47 119.39 37.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.416 0.626 . . . . 0.0 111.068 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.473 HD13 HG12 ' A' ' 17' ' ' VAL . 9.7 tt -106.4 119.73 56.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.476 176.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.8 114.63 28.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mp -108.04 129.37 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.51 . . . . 0.0 110.716 -174.017 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.1 tp -106.57 119.6 39.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.312 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 52.4 t0 -91.07 105.83 18.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.692 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 p -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.79 110.9 18.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.031 172.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 90.01 1.07 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.13 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -142.0 158.23 44.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.07 72.66 3.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 0.0 109.944 177.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.49 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.484 -178.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -77.34 73.05 3.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.25 -27.92 66.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 176.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -61.74 -28.72 69.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.568 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.875 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 76.7 mt -81.25 -40.63 18.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.644 0.259 . . . . 0.0 111.579 -175.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -90.84 -53.0 4.58 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.7 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.55 -55.28 6.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.066 0.46 . . . . 0.0 111.674 -175.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.805 HD21 ' HA ' ' A' ' 77' ' ' ALA . 53.8 m-80 -72.29 -31.11 65.44 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.03 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.875 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 10.2 m-85 -73.74 -28.43 61.69 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HB2' HG22 ' A' ' 114' ' ' VAL . 11.0 m-30 -61.68 -23.89 66.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.556 0.217 . . . . 0.0 111.565 -177.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.75 -53.16 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.666 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 49.7 m -93.33 24.77 3.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 111.762 -177.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.11 141.85 15.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.659 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.674 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 41.6 mt-10 -96.42 -67.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.57 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -103.77 148.34 16.95 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.242 -177.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -129.35 131.64 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.914 0.388 . . . . 0.0 110.747 -179.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.487 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 74.9 mt -104.28 124.19 48.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.05 108.22 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.141 -178.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.833 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.8 m -117.24 135.58 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.268 0.556 . . . . 0.0 111.53 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -150.66 152.11 33.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.322 177.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.5 t -89.16 147.25 24.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.897 0.38 . . . . 0.0 109.993 178.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.62 1.35 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.542 ' CG2' HD21 ' A' ' 132' ' ' LEU . 11.4 p -93.11 -14.14 27.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.373 0.606 . . . . 0.0 109.703 171.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.78 101.41 12.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.643 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -78.23 -27.09 47.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.39 -52.49 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.463 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -60.64 -31.23 70.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.038 178.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.25 -42.87 96.23 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.937 0.399 . . . . 0.0 110.604 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.5 m -76.0 -31.82 59.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.302 0.572 . . . . 0.0 110.363 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.84 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.113 -177.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.4 p -52.92 -45.49 67.64 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.955 0.407 . . . . 0.0 111.445 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.99 -34.64 76.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.46 178.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.43 -40.02 89.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.403 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -58.98 -47.17 86.11 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.34 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -57.63 -50.74 72.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.75 -40.94 85.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.341 179.097 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -64.88 -45.48 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 7.5 mp -68.11 -20.53 64.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.719 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.798 ' HA ' ' HE ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -59.09 -40.88 86.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 175.581 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.466 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -101.56 -21.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.328 -177.115 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -101.57 -91.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.968 -178.345 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 112' ' ' LEU . . . 61.9 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.511 0.724 . . . . 0.0 112.939 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.16 54.91 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.344 0.592 . . . . 0.0 111.227 -173.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.33 -164.74 1.06 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.415 179.099 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.42 -72.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 171.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 71.2 mmtt -154.43 145.42 22.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.071 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.26 99.04 11.63 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.57 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 57.2 Cg_endo -75.85 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.538 2.158 . . . . 0.0 111.878 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.3 mt -116.78 156.06 27.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.446 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tt -150.48 123.65 8.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.7 t -93.97 122.59 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -177.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.833 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.6 t -116.57 123.34 71.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -176.239 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.3 102.44 2.91 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.51 ' C ' HD21 ' A' ' 128' ' ' ASN . 0.2 OUTLIER -100.14 174.57 6.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.929 -0.16 . . . . 0.0 110.905 -176.326 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' A' ' 25' ' ' VAL . 3.1 mptm? 66.56 26.6 9.83 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 123.602 0.564 . . . . 0.0 111.789 179.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -66.58 -0.37 2.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.061 0.458 . . . . 0.0 111.361 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.8 t70 -62.66 -33.69 75.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.867 177.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER -64.01 -39.68 94.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.366 178.344 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.03 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.778 175.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -76.82 -16.2 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 -172.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 77.5 mtp180 -84.58 8.35 16.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.476 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 36.4 ttp180 -62.64 114.06 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.379 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.0 -32.65 15.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.537 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.06 124.94 33.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.93 122.12 11.17 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.581 2.188 . . . . 0.0 111.723 178.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -67.02 -22.26 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.23 -178.357 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.04 -47.28 86.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.652 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.6 -23.46 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.32 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.26 175.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.0 mtp180 -63.38 -37.19 86.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.301 177.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.3 t -68.86 -24.5 64.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.102 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -76.88 -34.49 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.046 -0.409 . . . . 0.0 110.59 175.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.61 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.63 -41.76 91.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.964 174.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.16 -43.8 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.168 -179.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -89.26 -4.89 58.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -175.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.27 35.13 34.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.53 177.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.33 -179.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.932 0.396 . . . . 0.0 111.094 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.79 161.76 13.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -130.85 117.88 19.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.85 136.29 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -175.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -91.62 127.16 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.144 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.3 p -136.54 159.75 40.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.235 0.54 . . . . 0.0 111.68 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -146.69 126.01 13.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.254 172.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.03 54.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.772 -177.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -64.09 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.377 -175.691 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.2 p -116.06 -14.61 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.583 -178.032 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 62.11 79.13 0.26 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.866 -179.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -129.37 116.03 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -178.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 56.87 27.42 12.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.469 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 168' ' ' VAL . 92.8 t -68.17 -43.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.151 178.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.86 -34.21 75.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -59.88 -44.66 94.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.219 -171.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 165' ' ' VAL . 32.7 m -61.73 -27.14 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.606 0.241 . . . . 0.0 111.408 -175.081 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.11 -44.35 47.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.515 176.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -67.22 -46.37 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.251 -178.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -55.83 -51.38 67.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 110.606 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.571 ' CD1' HD12 ' A' ' 176' ' ' ILE . 1.7 tm? -60.91 -42.46 98.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.821 179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 60.3 mtm -64.47 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.172 -0.33 . . . . 0.0 111.815 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -68.45 -44.08 75.67 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 16.3 mm-40 -54.8 -45.88 74.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.753 0.311 . . . . 0.0 110.859 172.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 172' ' ' LEU . 66.2 mt -58.01 -36.92 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.204 179.555 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -56.57 -51.89 66.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.041 0.448 . . . . 0.0 110.54 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -70.11 -38.58 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.057 -177.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.627 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -62.76 -38.37 90.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.343 178.473 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 30.2 mtpp -74.32 -29.56 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.547 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 C--N 1.325 -0.46 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.715 -179.651 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.456 0.646 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -64.89 -26.33 68.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.246 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.41 15.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.821 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.43 -38.16 94.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.267 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.576 ' O ' HG13 ' B' ' 402' ' ' ILE . 19.3 mm -60.96 -53.24 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.732 0.301 . . . . 0.0 110.531 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.43 -45.98 87.39 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.029 -175.012 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.45 -38.55 91.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.669 0.271 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.591 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 13.2 tp10 -71.96 -31.98 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.065 177.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.576 HG13 ' O ' ' B' ' 398' ' ' ILE . 76.4 mt -61.27 -48.61 88.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.05 -37.37 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 0.0 110.626 176.591 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.591 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 44.4 ttt180 -67.47 -46.62 72.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.849 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -69.21 -37.83 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 57.0 mt-10 -61.91 -35.08 77.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.455 177.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -68.87 -46.32 68.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 175.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.538 ' HB2' HG22 ' B' ' 432' ' ' VAL . 78.5 mt -62.6 -48.91 77.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.069 0.461 . . . . 0.0 110.723 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.552 HD22 HG13 ' B' ' 432' ' ' VAL . 3.1 tm? -66.19 -31.99 73.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.038 179.468 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.4 -42.14 92.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 175.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.4 t -59.59 -54.58 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.509 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.1 mm? -56.57 -30.62 63.36 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 111.22 178.438 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -69.5 -44.8 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.389 176.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 97.1 mtt180 -76.92 -50.37 13.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.99 -48.28 82.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 111.781 -175.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 425' ' ' LYS . 7.8 mp -66.99 -25.32 66.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.317 -175.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 7.1 mt-30 -54.22 -29.33 46.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.427 177.503 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.3 -6.39 75.03 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.522 -176.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.18 13.45 58.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.379 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.3 mt -84.16 116.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.496 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.0 pttp -117.87 146.74 43.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.017 0.913 . . . . 0.0 112.702 -175.198 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.458 ' O ' ' HE3' ' B' ' 425' ' ' LYS . 17.3 t70 -150.88 169.27 22.12 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 171.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -72.07 -32.45 67.06 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.21 173.734 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 33.1 t -64.66 -40.59 95.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.539 -178.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.693 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.67 -39.14 91.02 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.626 -170.748 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.693 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.8 pt-20 -73.87 -41.79 61.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.429 -179.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 46.3 mt-10 -63.44 -45.13 92.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.507 ' O ' HG11 ' B' ' 432' ' ' VAL . 27.3 mmt180 -64.26 -35.4 80.71 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.052 177.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' B' ' 429' ' ' LEU . 0.7 OUTLIER -56.34 -56.07 25.65 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 123.238 0.336 . . . . 0.0 110.754 -178.276 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.666 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 38.8 m95 -68.82 -30.85 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.619 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 30.9 tt0 -64.13 -57.32 9.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.366 -177.206 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.552 HG13 HD22 ' B' ' 409' ' ' LEU . 7.1 p -64.85 -34.12 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.313 0.577 . . . . 0.0 109.79 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.79 -53.34 58.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.342 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.619 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -66.93 -28.48 68.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.371 -177.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.2 mt -70.53 -52.05 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.917 175.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.45 HD23 ' HG2' ' B' ' 406' ' ' GLU . 21.7 tp -56.56 -42.35 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.4 t -71.1 -40.13 71.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.824 -176.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.375 0.607 . . . . 0.0 110.141 176.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.485 ' HG ' HG12 ' B' ' 402' ' ' ILE . 44.7 tp -67.9 -42.81 80.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.257 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.99 -30.93 71.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.401 0.619 . . . . 0.0 109.679 174.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.1 tmt_? -67.43 -45.08 77.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.375 175.647 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -61.24 -28.91 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 177.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.03 -45.05 94.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.268 174.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -76.72 -12.94 60.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.2 tp10 -86.72 -9.98 54.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.819 178.3 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.316 178.185 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -91.14 13.61 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.397 0.618 . . . . 0.0 111.078 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -139.34 118.8 12.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.062 176.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.555 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 26.3 m-70 -116.75 136.46 52.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 -177.597 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HZ1' ' CG ' ' A' ' 65' ' ' ASP . 45.9 mmtt -113.52 106.83 15.02 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.417 177.832 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.6 t -109.19 110.49 32.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.849 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.5 120.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.504 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.8 mmm -89.75 108.61 19.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.408 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -94.88 153.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -176.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.83 -179.89 48.81 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.6 m -145.99 16.93 1.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.538 0.685 . . . . 0.0 109.797 -175.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.29 -169.82 38.91 Favored Glycine 0 N--CA 1.436 -1.318 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.793 -177.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.22 67.94 0.71 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.79 -1.195 . . . . 0.0 112.622 -178.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.604 HG11 ' HB2' ' A' ' 94' ' ' SER . 68.0 t -66.73 -41.19 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 174.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.96 28.65 0.49 Allowed Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -176.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -74.0 -18.66 60.83 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -174.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -88.11 -15.11 37.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.417 . . . . 0.0 111.028 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.08 43.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.09 0.472 . . . . 0.0 110.69 178.024 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.705 -175.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 p -66.86 -39.75 87.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.255 -177.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.15 -41.16 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -69.36 -27.1 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.519 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 71.9 t80 -61.02 -36.38 79.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 176.436 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.655 ' HE1' ' HB2' ' A' ' 53' ' ' LYS . 48.6 ttm -94.28 -53.76 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.917 -176.167 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.68 -21.06 15.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.4 t70 66.48 16.81 10.52 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.982 0.896 . . . . 0.0 110.437 -175.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.03 147.16 25.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.734 177.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -78.79 148.07 33.06 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.94 105.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 0.0 111.183 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -104.44 -35.24 7.98 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 175.431 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -144.4 99.46 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.609 176.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -158.88 93.36 1.16 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.066 176.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 34.2 tt0 -82.59 -61.4 0.34 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.925 -174.185 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 50.6 Cg_exo -51.53 -90.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.926 2.417 . . . . 0.0 115.538 -162.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.483 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 17.7 p 47.53 25.87 0.71 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.883 0.473 . . . . 0.0 111.688 -168.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -87.08 -59.32 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.77 25.76 6.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.499 169.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.13 111.26 22.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.595 -172.266 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -122.83 155.81 35.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.213 177.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.2 105.29 3.62 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -80.02 123.29 27.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.446 -168.372 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HB2' ' HE1' ' A' ' 35' ' ' MET . 52.2 tptt -101.19 127.56 47.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.303 178.252 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.12 129.05 34.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.78 HG22 HG21 ' A' ' 62' ' ' VAL . 3.4 m -133.48 149.08 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.46 -179.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 60' ' ' GLU . 14.1 p -153.02 132.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.878 175.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.37 98.81 5.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.918 175.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.32 29.28 17.89 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.704 0.628 . . . . 0.0 112.215 176.2 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.27 -133.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.5 -1.333 . . . . 0.0 114.369 -177.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 56' ' ' VAL . 10.5 pt-20 -92.28 152.78 19.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.688 -174.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.3 109.16 2.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.327 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.78 HG21 HG22 ' A' ' 55' ' ' VAL . 11.5 m -106.76 179.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.9 134.66 31.93 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.797 -171.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.484 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 10.4 tt -108.6 112.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.597 0.713 . . . . 0.0 109.744 172.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.427 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 3.2 t70 -103.08 126.94 50.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.549 -177.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.44 137.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -167.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 tp -126.77 111.75 14.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.548 171.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -98.24 99.37 10.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.2 m -58.42 136.35 57.44 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.772 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.08 43.3 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.523 179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.29 46.17 3.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.369 -178.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -154.57 160.76 41.69 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.374 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -84.82 -23.01 29.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.018 -177.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -47.91 -64.67 0.73 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.657 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.27 72.3 4.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.167 -175.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.1 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.699 176.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.795 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.283 174.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.676 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 19.5 mt -91.36 -22.0 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.92 -179.037 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 40.1 mtp85 -92.64 -66.44 0.92 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.509 -179.219 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.2 -52.45 9.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.698 -174.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.795 HD21 ' HA ' ' A' ' 77' ' ' ALA . 51.8 m-80 -72.15 -24.63 61.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.531 -170.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.676 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -88.29 -26.99 22.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.603 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' HB2' HG23 ' A' ' 114' ' ' VAL . 13.6 m-30 -65.8 -14.59 61.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.866 0.365 . . . . 0.0 111.857 -175.629 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 22.0 mmm180 -54.65 -64.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -176.239 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.591 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.1 m -91.96 27.09 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -171.164 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.35 175.18 34.42 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.978 176.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.555 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 50.1 mt-10 -111.88 -75.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.19 0.495 . . . . 0.0 110.499 177.502 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.9 155.09 16.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.4 -174.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -126.75 128.01 45.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -177.04 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 124' ' ' LEU . 66.6 mt -96.99 113.31 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.712 175.126 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 125' ' ' VAL . 50.2 mt -81.26 106.86 13.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -109.29 108.59 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 111.082 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -125.86 163.42 22.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.146 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.604 ' HB2' HG11 ' A' ' 25' ' ' VAL . 41.7 t -93.46 128.63 39.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.372 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 10.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.433 0.635 . . . . 0.0 110.747 -177.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 1.072 HG23 HD21 ' A' ' 132' ' ' LEU . 63.0 p -113.54 -13.49 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.259 174.314 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -112.33 102.47 10.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.625 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -72.36 -16.92 61.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.614 0.245 . . . . 0.0 111.147 -174.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.43 -54.69 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.691 0.281 . . . . 0.0 110.688 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 p -67.39 -27.17 66.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.902 0.382 . . . . 0.0 110.693 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.1 t80 -62.52 -38.88 91.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.361 173.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.4 m -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.268 0.556 . . . . 0.0 110.175 179.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -15.26 62.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.901 -177.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.573 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 47.5 p -56.85 -38.49 72.75 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.706 0.288 . . . . 0.0 111.425 -178.464 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.8 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.54 -35.26 73.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.661 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -57.39 -51.36 69.71 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.204 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.98 -52.2 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.285 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.8 mt-10 -57.25 -45.28 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.742 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.87 -39.5 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.0 110.326 -176.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.7 mt -61.44 -45.48 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.049 178.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.54 -20.01 62.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.219 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 94.6 mtt180 -79.24 -42.45 25.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.628 0.252 . . . . 0.0 111.1 178.148 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 83' ' ' PHE . 34.9 m -80.03 -28.87 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.508 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.685 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 55.4 mttm -98.09 -82.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.293 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.62 -71.0 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.612 -179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -87.16 61.46 6.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 111.22 -175.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.685 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 21.5 mm-40 -105.67 -168.22 1.42 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.415 179.143 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.9 -62.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.229 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -150.41 139.47 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.837 177.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mt -115.03 99.16 51.91 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.415 -177.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.581 ' HG2' HG12 ' A' ' 176' ' ' ILE . 6.5 Cg_endo -88.47 125.26 1.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.453 2.768 . . . . 0.0 112.743 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.14 161.22 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.509 ' HG ' ' HG2' ' A' ' 153' ' ' GLN . 4.1 tt -148.59 129.81 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 174.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 91' ' ' LEU . 20.2 t -91.26 113.53 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 0.0 110.282 -178.263 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.24 112.32 39.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.661 -177.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.3 134.93 13.49 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.983 175.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 13.0 t-20 -124.53 173.45 8.46 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.262 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 31.7 mmtm 68.89 23.94 6.6 Favored 'General case' 0 CA--C 1.521 -0.144 0 O-C-N 123.662 0.601 . . . . 0.0 110.73 -173.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.9 m -67.53 -2.49 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 176.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.84 -28.7 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 1.072 HD21 HG23 ' A' ' 96' ' ' THR . 8.5 mp -64.26 -45.05 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.406 175.2 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 65.27 -77.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.023 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.74 -23.27 58.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.929 0.395 . . . . 0.0 111.082 -175.023 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.742 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 41.8 mtt180 -85.12 17.76 2.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.291 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -61.16 114.49 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.542 ' H ' ' HA ' ' A' ' 96' ' ' THR . 46.7 mt-30 -104.8 -13.45 15.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 -179.623 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 109.6 45.82 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 169.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.02 118.24 5.08 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.124 1.883 . . . . 0.0 111.329 177.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -27.35 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -56.91 -48.96 76.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.766 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.14 -29.71 34.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -61.52 -49.11 78.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.54 176.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -65.97 -39.97 90.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.055 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.8 t -54.67 -43.98 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.167 -177.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -60.47 -50.54 73.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.498 0.19 . . . . 0.0 111.506 176.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.7 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.86 -39.66 94.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.42 -34.94 75.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -178.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -80.97 -13.26 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.63 31.2 24.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.404 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.07 -177.57 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 111.077 179.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.509 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -103.15 144.82 30.81 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.091 177.686 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -115.17 113.75 24.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.683 173.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.2 p -139.52 128.98 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.402 177.43 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.07 160.83 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.584 -174.38 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.6 p -132.82 129.99 39.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.017 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.8 p -108.09 119.97 41.0 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -94.06 -11.65 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.511 -172.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -74.94 -29.26 60.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.364 0.602 . . . . 0.0 110.121 178.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -116.59 -12.11 10.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 63.79 80.88 0.22 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.136 -175.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.32 131.07 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.249 175.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 66.82 13.42 9.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.694 0.797 . . . . 0.0 111.831 -177.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.87 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.573 0.225 . . . . 0.0 110.956 -176.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.508 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 5.5 p-10 -71.43 -24.17 61.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.126 0.489 . . . . 0.0 110.555 178.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -58.58 -47.53 83.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.544 -177.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.17 -30.29 45.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.522 -176.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -70.98 -47.69 57.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.865 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.99 -39.83 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.291 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.23 -50.71 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.437 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 176' ' ' ILE . 1.9 tm? -59.12 -46.43 88.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.725 178.222 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.484 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 66.9 mtm -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.617 0.246 . . . . 0.0 111.373 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.477 ' NH1' ' HE ' ' A' ' 177' ' ' ARG . 3.1 mmm180 -65.56 -43.76 88.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 5.5 mt-10 -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.602 175.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.581 HG12 ' HG2' ' A' ' 122' ' ' PRO . 64.1 mt -60.26 -39.52 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -178.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.477 ' HE ' ' NH1' ' A' ' 174' ' ' ARG . 7.2 ptt180 -66.59 -31.73 72.62 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.155 -179.095 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.7 m -69.92 -33.72 72.53 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.133 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.5 mptt -66.54 -48.44 69.7 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.485 176.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -65.36 -26.0 67.82 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 C--N 1.325 -0.494 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.344 174.955 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.528 ' O ' HG12 ' B' ' 398' ' ' ILE . 15.7 m . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.83 -34.91 70.18 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 -177.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.14 -55.64 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.197 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.6 91.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.02 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 394' ' ' THR . 47.9 mm -63.12 -51.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.802 0.334 . . . . 0.0 110.787 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.637 ' HA ' HD11 ' B' ' 402' ' ' ILE . 9.6 mtpm? -61.89 -39.36 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.475 -177.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -65.03 -41.54 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.388 176.194 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.54 ' HB3' HD11 ' B' ' 439' ' ' LEU . 2.7 tp10 -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.369 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.674 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.6 mt -53.56 -53.12 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.472 174.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.496 ' HD3' ' OE2' ' B' ' 406' ' ' GLU . 26.6 mmt180 -62.99 -35.46 80.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 -178.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' B' ' 401' ' ' GLU . 68.2 ttt180 -59.38 -46.54 88.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.635 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.608 HE21 HG21 ' B' ' 432' ' ' VAL . 14.7 mm100 -72.21 -34.14 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.411 -179.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.496 ' OE2' ' HD3' ' B' ' 403' ' ' ARG . 38.0 mt-10 -60.12 -45.18 93.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 175.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.63 -47.38 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 177.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.591 ' HB2' HG23 ' B' ' 432' ' ' VAL . 49.3 mt -57.34 -52.16 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.116 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.685 HD21 HG12 ' B' ' 432' ' ' VAL . 0.5 OUTLIER -62.17 -42.39 99.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.622 179.165 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 52.7 t30 -59.21 -56.49 21.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.0 m -61.12 -43.19 99.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.735 -177.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' B' ' 429' ' ' LEU . 13.0 mt -59.1 -51.99 67.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.052 177.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 0.9 OUTLIER -66.93 -31.04 71.35 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.708 -177.529 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 55.0 mtm180 -64.76 -45.77 84.98 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.61 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.29 -38.55 85.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.965 -177.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 97.2 mt -62.2 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.245 -179.147 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.54 -10.22 59.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.57 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -88.05 5.8 84.35 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.406 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.3 14.77 58.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.042 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.4 mt -102.61 128.05 55.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -151.64 147.76 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.54 0.686 . . . . 0.0 111.8 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.71 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 16.2 t70 -150.21 171.24 17.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.805 -178.437 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 8.8 mp -70.53 -31.44 68.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.709 0.766 . . . . 0.0 109.688 173.396 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -63.73 -35.13 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.138 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.71 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.9 pptp? -71.16 -42.06 69.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.583 -174.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.619 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.8 pt-20 -67.52 -41.16 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 110.305 -175.204 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 15.6 mm-40 -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.926 179.476 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 432' ' ' VAL . 22.7 tpt180 -67.05 -41.97 85.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 -177.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' B' ' 412' ' ' LEU . 5.9 mp -54.63 -53.24 57.32 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 123.108 0.255 . . . . 0.0 111.262 176.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 89.7 m95 -63.15 -30.12 71.33 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.386 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 64.3 mt-10 -66.16 -56.56 10.8 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.853 175.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.685 HG12 HD21 ' B' ' 409' ' ' LEU . 2.4 p -64.65 -33.57 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 -179.355 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -56.03 -51.93 66.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.418 174.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 3.5 ptm180 -67.09 -26.68 66.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.125 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' B' ' 432' ' ' VAL . 32.4 mt -77.78 -40.5 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.327 177.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.53 -40.74 83.8 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 177.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -74.92 -33.43 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.74 -39.29 93.38 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.238 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.674 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.3 OUTLIER -61.01 -38.65 86.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.059 177.436 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.45 -49.02 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 176.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.49 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.4 OUTLIER -61.87 -44.93 95.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.741 179.943 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.449 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' B' ' 402' ' ' ILE . 53.0 tp -64.06 -40.48 96.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.98 -7.21 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.016 0.436 . . . . 0.0 110.816 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.49 ' HB2' HH11 ' B' ' 441' ' ' ARG . 42.5 tt0 -94.44 -26.35 16.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 178.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.81 -178.408 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.639 0.257 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -96.21 7.07 47.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.46 0.648 . . . . 0.0 110.56 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 32.4 tp -130.45 127.69 39.75 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.565 179.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -137.22 141.53 42.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.518 -177.292 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -116.39 131.4 56.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 172.754 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.14 117.96 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.606 0.717 . . . . 0.0 110.178 177.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 89' ' ' PHE . 59.7 mt -108.99 122.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.897 -177.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.701 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 18.6 mmt -81.16 122.89 27.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.539 174.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 90' ' ' LEU . 26.8 m -96.52 155.99 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 111.171 -177.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.52 160.9 26.5 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.51 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.6 m -134.75 -71.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.728 0.264 . . . . 0.0 110.656 178.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.06 -66.38 1.81 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.875 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.64 2.97 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.082 177.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 27' ' ' LYS . 60.0 t 67.54 99.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.35 0.595 . . . . 0.0 111.051 -178.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 28' ' ' SER . . . -57.54 -60.61 8.69 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.805 176.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 22.2 pttm 58.39 -16.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.152 1.781 . . . . 0.0 115.197 170.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 26' ' ' GLY . 5.7 m -90.21 -12.68 37.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.043 0.449 . . . . 0.0 110.774 -177.816 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.68 -48.97 34.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.533 -178.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.72 -34.28 76.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.682 -172.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.4 p -67.94 -39.52 83.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.294 -176.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD13 ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -68.37 -40.91 81.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.772 177.543 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.5 mm100 -61.81 -37.6 85.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.008 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.98 -36.56 80.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.987 -176.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.466 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 7.7 ptp -78.37 -50.44 11.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.572 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 89.7 m-85 -89.46 -86.43 0.19 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.377 -178.395 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 30.5 t70 163.01 -36.09 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.086 0.866 . . . . 0.0 109.956 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.12 162.74 13.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.909 -171.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 59.8 t80 -75.75 132.16 40.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.083 -169.102 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.7 p -89.02 131.94 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.194 176.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.39 -33.53 3.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.826 -177.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -119.66 93.09 3.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.105 0.478 . . . . 0.0 110.921 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -171.29 98.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.28 174.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 3.9 mm-40 -114.54 -35.35 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.184 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 31.7 Cg_exo -59.52 95.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.382 1.388 . . . . 0.0 112.592 176.091 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.437 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 3.0 p -131.64 27.51 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -75.09 -57.46 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -176.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HB3' HD11 ' B' ' 409' ' ' LEU . . . -126.14 17.19 7.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.453 -177.259 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.33 165.97 10.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.473 -175.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -153.58 150.99 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.154 0.502 . . . . 0.0 110.245 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -139.79 126.68 20.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.026 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -96.33 156.19 16.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.203 0.525 . . . . 0.0 111.445 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 51.5 tptt -134.66 127.81 31.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.016 177.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.28 122.36 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 153.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 60' ' ' GLU . 2.7 p -125.92 115.29 42.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.516 0.674 . . . . 0.0 110.686 177.219 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.42 99.06 11.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.585 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 72.79 -51.21 0.71 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.286 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.03 -64.22 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.758 -1.21 . . . . 0.0 114.764 -170.031 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' HG21 ' A' ' 56' ' ' VAL . 8.5 pt-20 -97.21 144.7 26.77 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 117.654 0.727 . . . . 0.0 111.724 -172.637 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 124.96 25.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.475 -177.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -108.05 143.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.444 -175.249 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.1 135.44 53.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 0.0 110.438 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.1 125.98 65.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.6 -178.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.566 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 8.1 m-20 -90.95 121.05 32.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.313 178.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.7 mt -108.12 125.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 82' ' ' TYR . 33.4 tp -131.02 139.39 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.119 0.485 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 29.5 t70 -111.29 153.33 26.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 p -130.17 153.66 48.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -170.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 134.58 50.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.861 170.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -128.44 25.37 4.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.552 -175.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -74.06 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 111.907 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.86 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.37 -68.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.016 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 75.8 m-85 -83.09 54.02 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.831 -174.299 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.07 66.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.234 0.54 . . . . 0.0 110.022 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.486 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.44 -13.71 53.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.866 178.701 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 75' ' ' TYR . 50.2 mt -93.3 -30.24 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.072 0.463 . . . . 0.0 110.334 178.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -88.24 -60.65 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 -178.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -56.68 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.761 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 90.9 m-20 -59.24 -35.41 73.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.404 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 m-85 -77.32 -22.89 51.23 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.024 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.636 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 13.5 m-30 -64.52 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.257 -177.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.37 -37.09 74.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -171.285 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.434 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -112.1 44.0 1.49 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.376 -173.77 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.18 138.56 10.09 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.018 175.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.489 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.0 mp0 -79.59 -65.56 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 110.236 178.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.13 146.23 18.09 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.929 -173.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE1' HD12 ' A' ' 18' ' ' ILE . 91.1 m-85 -132.2 131.63 42.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.1 mt -103.47 115.44 30.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.84 105.67 17.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 172.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 128' ' ' ASN . 60.8 t -117.07 113.13 41.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.129 -176.256 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.523 ' HZ ' ' HH ' ' A' ' 154' ' ' TYR . 36.5 p90 -126.25 148.83 49.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.449 -177.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.989 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -84.87 143.59 28.94 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.615 HG21 HH21 ' A' ' 136' ' ' ARG . 0.2 OUTLIER -74.07 7.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.957 0.408 . . . . 0.0 111.301 -177.49 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 135' ' ' ARG . 21.0 p -117.56 -6.04 11.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.232 175.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.989 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 20.5 mm-40 -106.47 101.81 11.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -177.706 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -69.49 -25.48 64.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -56.55 -54.3 47.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 3.8 m -66.3 -34.54 78.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.789 -177.114 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.19 -42.59 88.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.256 0.55 . . . . 0.0 110.62 -179.163 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.93 -15.76 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.177 -176.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -55.55 -45.43 77.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.509 -178.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.33 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.593 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.76 -39.11 84.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.404 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.6 m-85 -56.3 -46.65 79.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.54 0.209 . . . . 0.0 110.464 -179.175 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.33 -56.98 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.38 179.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 32.0 mt-10 -63.94 -42.17 97.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.027 -176.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -63.35 -37.08 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.281 -178.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -63.48 -46.33 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.192 174.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.29 -7.9 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -76.36 -30.56 57.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 176.432 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' ' 115' ' ' LYS . 19.9 m -115.14 0.37 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.868 -176.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.636 ' HD3' ' O ' ' A' ' 83' ' ' PHE . 13.0 mmmm -129.4 -149.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.556 -176.45 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.77 11.54 3.14 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.567 0.747 . . . . 0.0 112.384 173.087 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.8 31.93 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 2.9 pt-20 -129.15 -164.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.477 -173.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.5 -59.43 2.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.737 -179.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.431 ' HG2' ' HD2' ' A' ' 179' ' ' LYS . 56.0 tptt -163.04 134.82 5.11 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.75 0.309 . . . . 0.0 110.85 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.426 HD13 ' HB3' ' A' ' 115' ' ' LYS . 54.9 mt -95.47 109.54 46.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.728 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.52 ' HG3' ' HG3' ' A' ' 179' ' ' LYS . 2.6 Cg_exo -76.04 108.1 2.61 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 176.699 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.74 152.01 22.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.565 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.58 HD11 ' N ' ' A' ' 125' ' ' VAL . 5.8 tp -150.96 129.03 11.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.834 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.58 ' N ' HD11 ' A' ' 124' ' ' LEU . 25.4 t -103.14 123.03 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.975 179.177 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.09 133.89 65.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -175.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.58 107.14 3.32 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.842 176.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' SER . 9.8 t30 -95.08 155.13 16.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.585 0.231 . . . . 0.0 110.895 -176.384 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' ' 131' ' ' ASP . 21.8 tptm 67.52 24.64 8.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.285 175.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.3 m -74.29 47.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 129' ' ' LYS . 31.9 t70 -121.41 -14.2 8.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.747 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.34 -44.73 64.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.539 -179.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.63 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.397 176.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.59 -33.83 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.679 0.276 . . . . 0.0 111.513 -174.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 96' ' ' THR . 64.6 mtt180 -89.41 8.48 30.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.669 -176.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.615 HH21 HG21 ' A' ' 95' ' ' ILE . 26.8 ttm180 -56.36 112.88 1.37 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.85 -36.46 19.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.219 -174.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.5 p -106.45 123.95 37.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 43.7 Cg_exo -56.85 120.1 7.8 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 111.883 179.424 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -75.07 -16.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.307 0.575 . . . . 0.0 109.616 -177.632 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.05 -50.05 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.18 178.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -76.87 -29.6 55.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.0 81.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.412 176.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.6 mtp180 -61.15 -47.8 84.53 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 174.235 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 7.8 t -68.0 -21.78 65.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.948 -175.598 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 46.9 mmtt -66.56 -50.65 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.677 174.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB2' HG22 ' A' ' 152' ' ' VAL . . . -59.51 -36.62 76.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.403 0.62 . . . . 0.0 109.727 173.621 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 45.1 tt0 -61.01 -47.44 86.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.051 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 145' ' ' SER . 45.2 mt-10 -60.52 -41.27 94.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 111.288 177.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -81.07 -9.39 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.796 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.64 31.68 32.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.005 177.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 147' ' ' ALA . 12.5 m -124.21 178.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.621 0.248 . . . . 0.0 110.883 178.759 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.449 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.4 pt20 -92.36 156.83 16.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.523 ' HH ' ' HZ ' ' A' ' 93' ' ' PHE . 78.3 t80 -130.58 119.26 22.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.018 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.41 133.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.765 -176.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.3 p -132.31 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.322 0.582 . . . . 0.0 111.502 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.0 t -130.57 118.39 20.96 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.9 -18.93 60.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.525 -176.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -78.22 -48.68 15.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.981 0.419 . . . . 0.0 110.455 -178.201 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.8 p -81.71 -18.25 45.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.633 178.023 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 63.4 67.73 0.64 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.17 178.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.96 136.9 46.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.559 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 72.5 -2.73 2.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.05 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.472 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 59.4 t -66.98 -35.64 75.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.271 0.558 . . . . 0.0 109.67 179.384 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.46 -36.51 79.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -72.53 -53.65 11.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.539 -173.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.27 -35.74 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.472 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 45.6 m-85 -74.03 -55.64 5.89 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.042 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 20.8 m-85 -61.59 -39.6 91.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.425 -175.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.63 -50.95 71.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.679 0.276 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.557 ' O ' HG13 ' A' ' 176' ' ' ILE . 34.4 tp -64.6 -40.26 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 178.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 58.1 mtp -61.18 -33.1 72.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.258 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 3.6 mmt-85 -68.04 -48.74 64.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 175.185 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 7.3 mm-40 -60.27 -33.73 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.7 mt -57.64 -35.5 50.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 110.109 175.466 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -70.7 -44.3 67.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.7 m -55.87 -42.37 75.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.243 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 55.9 mmtt -68.36 -39.65 81.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.518 -178.462 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.93 -22.34 59.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 177.592 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.434 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.4 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -58.75 -31.39 68.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.712 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.48 69.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.58 94.55 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.126 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' B' ' 442' ' ' LYS . 47.4 mm -60.15 -46.88 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 0.0 110.79 177.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.3 mttt -65.44 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -36.99 85.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.661 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.402 ' HB3' HD21 ' B' ' 439' ' ' LEU . 42.5 mt-10 -63.46 -46.81 84.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.128 174.015 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 85.5 mt -53.69 -52.69 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 176.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 66.8 mtp180 -56.77 -40.65 76.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.117 0.484 . . . . 0.0 110.824 178.484 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -58.81 -46.54 87.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.427 ' HB2' HD23 ' B' ' 436' ' ' LEU . 30.6 mm-40 -76.79 -30.88 56.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.7 mt-10 -59.85 -39.61 85.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.019 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.59 -50.01 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 175.387 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.553 ' HB2' HG23 ' B' ' 432' ' ' VAL . 55.7 mt -60.66 -46.09 91.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.709 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 48' ' ' ALA . 1.8 tm? -61.1 -43.91 98.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 109.226 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.69 -46.75 88.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.269 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -59.73 -55.52 33.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.638 -174.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -60.16 -38.17 82.35 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.75 0.31 . . . . 0.0 111.125 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.88 -44.62 96.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.85 -178.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.99 -37.09 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.38 -47.86 82.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.24 0.543 . . . . 0.0 111.163 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' B' ' 421' ' ' LYS . 48.5 mt -75.09 -25.71 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.997 -174.654 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.07 -9.64 7.94 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.65 13.02 49.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.315 177.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.01 41.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.57 144.07 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -177.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.632 ' HA ' HD21 ' B' ' 416' ' ' LEU . 17.7 pttm -157.73 157.58 33.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.401 0.619 . . . . 0.0 110.909 169.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.498 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.5 t70 -147.61 162.88 38.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.288 -178.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.76 -29.86 69.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.784 0.325 . . . . 0.0 111.167 -173.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 22.2 t -68.05 -32.29 72.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.656 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 16.8 mmtt -74.05 -52.39 12.83 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 -178.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 34.7 mt-10 -58.03 -46.99 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.643 -173.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.58 -36.76 76.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 178.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.555 ' O ' HG12 ' B' ' 432' ' ' VAL . 21.0 tpp180 -63.91 -42.2 97.47 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.386 178.581 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.477 HD11 HD11 ' B' ' 416' ' ' LEU . 8.2 mt -55.38 -51.85 65.49 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.718 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.711 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 16.2 m95 -66.37 -40.93 90.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.148 178.535 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.489 ' O ' HG13 ' B' ' 435' ' ' ILE . 36.3 tt0 -59.59 -56.12 25.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -176.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.3 p -63.11 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.323 0.582 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 21.9 tp60 -54.24 -52.98 59.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.415 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.99 -32.79 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.094 -178.727 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.4 mt -62.1 -41.97 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.306 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.3 -47.93 82.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.841 178.291 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.464 HG21 ' HA ' ' B' ' 434' ' ' ARG . 14.6 t -73.77 -32.83 63.99 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 -177.276 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.57 -37.48 86.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.207 0.527 . . . . 0.0 109.998 176.246 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.573 HD12 ' CD ' ' B' ' 442' ' ' LYS . 1.4 mp -62.78 -34.91 78.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.153 176.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.55 -38.57 84.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.039 174.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -68.54 -41.27 80.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.407 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.573 ' CD ' HD12 ' B' ' 439' ' ' LEU . 49.3 mtpt -57.43 -37.13 72.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.739 177.109 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.449 ' CA ' HG22 ' B' ' 398' ' ' ILE . 56.7 tp -63.81 -42.55 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.611 178.294 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 444' ' ' ARG . 50.7 mtp85 -81.92 -2.79 52.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.25 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 -11.82 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.723 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.191 -177.241 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.34 -1.66 41.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.226 0.536 . . . . 0.0 111.488 -177.475 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -128.41 125.74 39.21 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.609 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -128.54 143.34 50.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.39 -177.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 62.9 mmtt -118.2 113.04 20.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.113 178.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.9 t -113.38 106.3 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.33 0.586 . . . . 0.0 110.302 -179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -102.35 115.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 48.1 ttm -93.02 120.95 33.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.37 175.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -177.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.43 152.32 6.44 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -97.1 -69.55 0.75 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.909 0.355 . . . . 0.0 110.743 -173.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.57 -84.75 0.49 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.806 179.296 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -126.29 -51.96 0.16 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.222 178.014 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 24' ' ' GLY . 2.7 m 57.02 -2.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.092 1.357 . . . . 0.0 113.792 176.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.549 ' HA3' ' ND2' ' A' ' 128' ' ' ASN . . . 77.28 23.14 69.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.594 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 18.7 ptpt -58.6 -46.1 87.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.467 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 62.5 m -68.15 -33.33 74.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.684 -176.279 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.74 -45.38 58.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.682 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 159' ' ' ALA . 91.4 mt -61.12 -43.88 98.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.74 -176.04 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.443 ' HB ' HG22 ' A' ' 66' ' ' ILE . 70.1 p -70.68 -45.57 64.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.484 -175.335 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.4 tm? -55.55 -40.37 71.82 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.165 0.291 . . . . 0.0 110.449 179.156 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.26 -41.61 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.33 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -72.62 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.619 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.32 -46.24 91.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.227 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 82.5 m-85 -110.45 -89.72 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.466 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 26.5 t70 165.36 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.809 0.693 . . . . 0.0 109.707 -172.417 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.5 153.14 18.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -173.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -75.77 123.69 26.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.366 -172.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.12 126.93 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.023 176.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.23 -50.17 3.13 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.751 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -115.82 122.9 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.436 -174.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.36 121.94 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.777 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.1 mt-10 -87.95 -68.47 0.13 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.525 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.777 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 22.1 Cg_exo -63.15 -85.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.584 2.189 . . . . 0.0 114.4 -163.349 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.563 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 37.7 p 49.15 50.87 17.26 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.187 0.595 . . . . 0.0 111.642 -172.024 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -87.0 -54.34 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.537 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' HD22 ' B' ' 409' ' ' LEU . . . -123.55 27.37 7.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.043 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.563 ' OD1' ' HA ' ' A' ' 46' ' ' THR . 1.7 m-20 -75.11 96.36 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.282 -175.643 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 78.4 p -106.34 171.43 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 168.586 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -164.82 127.2 2.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -80.88 106.24 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.935 177.383 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HB3' HG23 ' A' ' 64' ' ' ILE . 51.4 tptt -99.47 128.67 45.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.082 179.122 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -91.07 124.63 35.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.377 175.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' HE2' ' A' ' 173' ' ' MET . 17.2 m -133.58 139.65 48.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 171.4 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.31 107.89 22.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.692 0.758 . . . . 0.0 110.135 -177.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.62 HD11 HH21 ' A' ' 177' ' ' ARG . 88.5 mt -89.26 98.92 12.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.631 -175.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 58.76 16.43 4.43 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.523 172.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.11 -40.96 0.92 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.54 -1.314 . . . . 0.0 114.412 176.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' HG21 ' A' ' 62' ' ' VAL . 5.8 pt-20 -98.93 139.83 34.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.658 0.729 . . . . 0.0 110.832 -175.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.46 109.05 14.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 109.795 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.5 t -109.09 150.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.28 -170.705 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.33 127.58 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.279 0.562 . . . . 0.0 111.409 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 53' ' ' LYS . 5.2 tt -117.54 139.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.961 178.332 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.515 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 38.1 t0 -121.03 147.12 45.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 50' ' ' SER . 96.9 mt -131.46 140.08 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.792 0.33 . . . . 0.0 111.747 -171.181 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -118.74 122.8 43.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 173.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 30.1 t70 -88.68 103.17 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 174.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -75.91 143.48 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -168.065 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.24 114.35 26.43 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.872 171.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 71.24 2.95 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.61 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -146.05 159.04 43.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.808 0.337 . . . . 0.0 111.096 -179.679 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.46 -24.05 61.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.109 -179.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.464 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.5 m-20 -58.14 -78.96 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.585 0.707 . . . . 0.0 111.779 -176.261 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.521 ' H ' HD11 ' A' ' 72' ' ' LEU . 90.7 m-85 -82.08 62.06 5.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.736 -174.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.98 -20.27 62.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.39 175.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.957 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -62.93 -25.33 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.558 177.337 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.646 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 20.2 mt -78.03 -26.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.13 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -92.89 -65.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.612 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.36 -53.01 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -174.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.957 HD21 ' HA ' ' A' ' 77' ' ' ALA . 63.1 m-80 -77.11 -18.34 58.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.812 -170.156 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.646 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 31.8 m-85 -93.36 -36.6 12.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 122.189 -0.32 . . . . 0.0 111.769 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 6.7 m-30 -58.17 -25.38 61.46 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.575 0.226 . . . . 0.0 111.172 -179.083 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.454 ' HD3' ' OE2' ' B' ' 426' ' ' GLU . 4.6 mmp_? -47.89 -63.1 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.502 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.499 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -89.55 17.39 6.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.513 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.05 159.12 33.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.885 178.148 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -115.96 -75.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.741 0.305 . . . . 0.0 110.352 -177.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.522 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.67 150.01 16.72 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.511 -174.655 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -129.36 134.96 48.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.0 111.638 -176.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 124' ' ' LEU . 79.7 mt -101.87 111.19 23.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.079 174.624 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 mp -81.23 105.58 12.54 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 126' ' ' VAL . 64.1 t -118.33 139.56 45.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.544 -175.066 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 44.7 p90 -152.17 155.83 38.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.96 177.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 m -89.45 144.52 25.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.95 5.46 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.967 0.413 . . . . 0.0 111.411 -179.77 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 135' ' ' ARG . 16.7 p -107.54 -34.31 7.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 110.338 172.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -77.88 93.27 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.785 177.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.18 -28.82 62.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.441 -173.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.43 -45.17 88.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 p -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.923 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -65.66 -47.62 74.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.354 177.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.6 m -67.99 -35.41 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.492 178.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.77 63.23 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.567 -175.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.415 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 38.3 p -56.83 -44.82 82.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.9 78.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.52 . . . . 0.0 110.427 178.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.92 -36.47 72.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.108 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.499 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.7 m-85 -57.09 -40.65 77.37 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.065 177.705 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -55.02 -52.51 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.626 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -32.22 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.855 -179.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.365 0.603 . . . . 0.0 109.845 179.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.3 mt -71.87 -52.45 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.355 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.594 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.5 mp -64.95 -15.41 62.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.984 0.421 . . . . 0.0 111.687 -179.432 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -71.1 -30.24 66.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.584 177.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.65 -15.46 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.984 -175.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HB2' ' OE2' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -154.37 132.41 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.349 . . . . 0.0 110.533 -179.361 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.81 -39.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.731 -178.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.09 69.58 9.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.557 0.694 . . . . 0.0 110.408 -176.26 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.619 ' OE2' ' HB2' ' A' ' 115' ' ' LYS . 9.4 pt-20 -149.86 -158.24 0.9 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.67 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 60.1 m-20 -60.2 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.523 0.201 . . . . 0.0 111.156 -177.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 13.1 mmtp -168.87 122.58 0.83 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.121 178.651 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 79.5 mt -78.86 113.25 33.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.163 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.522 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 5.0 Cg_endo -87.48 127.83 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.595 2.863 . . . . 0.0 112.377 177.585 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.85 133.8 54.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.236 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -126.68 121.97 33.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD11 ' A' ' 124' ' ' LEU . 10.8 t -89.85 121.54 40.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.086 -178.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.83 ' HB ' HG21 ' A' ' 92' ' ' VAL . 41.0 t -120.33 126.07 74.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -174.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 139.88 15.2 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 173.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.549 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 57.9 t30 -133.83 161.67 34.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.289 0.545 . . . . 0.0 110.335 -178.345 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 71.51 24.24 3.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.737 0.648 . . . . 0.0 110.907 -176.354 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -61.29 -8.22 3.61 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.05 -16.28 63.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.327 0.584 . . . . 0.0 110.324 174.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.446 HD11 HG23 ' A' ' 96' ' ' THR . 69.5 mt -81.16 50.05 1.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.79 -29.46 68.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.92 -7.36 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.143 -0.348 . . . . 0.0 111.673 -177.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.479 ' O ' HG22 ' A' ' 96' ' ' THR . 94.2 mtt180 -123.77 3.65 8.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.663 -0.415 . . . . 0.0 112.045 -176.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -54.56 114.26 1.61 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.919 0.39 . . . . 0.0 110.638 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -91.67 -29.74 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.365 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.6 p -114.94 121.56 35.13 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.874 178.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.83 122.6 12.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.509 2.14 . . . . 0.0 111.148 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.615 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -72.24 -7.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 -174.647 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -56.16 -60.12 3.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.118 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -19.45 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.07 0.462 . . . . 0.0 110.911 -178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.15 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.106 174.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 46.5 mtp180 -67.16 -37.07 83.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.847 175.394 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 21.0 t -59.7 -44.93 93.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.838 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -54.78 -48.87 72.14 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.47 ' HB1' HG22 ' A' ' 152' ' ' VAL . . . -58.7 -38.94 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.873 176.589 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.98 -34.58 75.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 -179.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 145' ' ' SER . 44.2 mt-10 -63.9 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 178.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -89.89 -6.95 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -177.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.71 25.38 50.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.736 177.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.47 HG22 ' HB1' ' A' ' 147' ' ' ALA . 19.7 m -117.01 -178.88 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-O 120.953 0.406 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.645 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -100.19 151.48 21.38 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 -178.469 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 74.7 t80 -122.75 128.48 50.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.804 175.558 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.4 133.76 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.292 -178.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -91.52 136.33 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.9 p -128.88 154.95 46.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.124 0.488 . . . . 0.0 110.978 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -135.93 100.1 4.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.136 174.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -59.95 -21.02 60.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.27 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -63.41 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.838 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.4 p -112.6 3.12 16.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.192 -178.052 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.62 20.49 12.26 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.675 -177.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.2 118.05 15.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.726 -176.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 66.73 8.14 5.72 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.284 175.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.28 -46.26 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 111.676 -174.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -75.9 -22.72 55.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.217 -176.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -60.19 -53.67 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.145 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.57 -25.96 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -74.41 -42.42 59.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 177.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.95 -41.09 78.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -48.6 81.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.05 -37.14 86.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.487 ' HE2' HG23 ' A' ' 55' ' ' VAL . 63.0 mtm -66.78 -31.08 71.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.308 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -69.0 -39.11 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.621 177.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.546 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.0 mm-40 -53.6 -48.5 69.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 111.375 172.527 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.5 mt -55.96 -34.95 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.62 HH21 HD11 ' A' ' 57' ' ' LEU . 82.9 mtt-85 -68.97 -50.17 51.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -60.79 -36.38 78.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.546 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.8 mptt -64.56 -46.93 80.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.265 178.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.4 mmtt -74.1 -33.12 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.852 -175.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.695 -179.635 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.504 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.4 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.28 -38.35 71.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.546 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.957 178.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.88 -40.85 99.78 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.893 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.622 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.3 mm -54.12 -51.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.678 0.275 . . . . 0.0 110.753 177.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.2 mttm -57.34 -41.55 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.696 -178.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.34 -35.62 73.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.58 0.229 . . . . 0.0 111.465 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.7 mt-10 -70.26 -34.56 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.867 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.622 HG13 ' O ' ' B' ' 398' ' ' ILE . 59.0 mt -57.94 -50.47 77.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 171.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 70.0 mtm180 -57.33 -37.21 72.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.458 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.0 ttm180 -58.99 -49.36 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 177.124 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 52.0 mm-40 -72.85 -35.92 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.481 ' HG2' HD21 ' B' ' 436' ' ' LEU . 64.0 mt-10 -60.77 -38.08 84.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.24 -49.86 25.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.162 176.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 84.9 mt -57.61 -46.1 84.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -178.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.643 HD11 ' HH ' ' A' ' 82' ' ' TYR . 29.9 tp -72.36 -33.04 66.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.369 -178.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.67 -41.5 99.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.107 175.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 8.9 t -60.66 -53.54 56.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 1.8 mm? -52.25 -40.95 62.38 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 175.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -62.33 -44.57 96.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.152 177.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 61.8 mtt180 -77.46 -51.07 11.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.9 -46.47 89.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 0.0 111.794 -176.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.692 ' HG ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 mp -67.73 -25.64 65.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 -174.427 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 35.1 mt-30 -57.84 -24.63 58.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.803 0.335 . . . . 0.0 110.492 174.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.45 -12.48 77.12 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.181 -176.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.53 0.23 62.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.677 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.8 116.42 7.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.563 ' HA ' ' HD3' ' B' ' 425' ' ' LYS . 19.3 ptpt -121.12 142.42 49.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 122.236 1.017 . . . . 0.0 113.567 -174.426 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' B' ' 425' ' ' LYS . 11.1 t70 -150.18 167.73 26.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.218 -1.81 . . . . 0.0 106.534 173.445 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.97 -31.5 66.34 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 118.926 0.784 . . . . 0.0 109.13 171.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.482 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 5.9 m -66.0 -32.37 73.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.846 -177.407 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.692 ' HD2' ' HG ' ' B' ' 416' ' ' LEU . 20.0 pttp -63.58 -46.7 84.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 111.122 -174.219 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' B' ' 425' ' ' LYS . 1.7 pt-20 -72.45 -40.13 67.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -177.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.2 mt-10 -62.1 -45.46 93.38 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.039 176.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.524 ' O ' HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -71.16 -29.21 64.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.046 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.437 HD23 ' CZ ' ' A' ' 82' ' ' TYR . 1.3 mt -56.45 -50.34 72.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 O-C-N 123.345 0.403 . . . . 0.0 109.975 175.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.592 ' CZ3' ' HD2' ' A' ' 16' ' ' LYS . 80.3 m95 -71.2 -32.09 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.534 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.699 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 45.6 mt-10 -63.8 -56.63 14.0 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.063 -178.627 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -65.08 -33.46 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 109.953 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.293 177.061 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 0.4 OUTLIER -70.94 -27.36 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.471 -176.545 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' B' ' 432' ' ' VAL . 31.5 mt -75.0 -39.55 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.054 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.4 tm? -57.66 -49.34 76.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.1 t -70.44 -36.27 73.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 -178.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.55 -37.56 87.05 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.979 177.263 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.815 ' HA ' ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -65.28 -41.1 94.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.321 -178.896 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.9 -29.67 68.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.313 177.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.449 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.5 OUTLIER -68.24 -43.18 78.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.815 ' HD3' ' HA ' ' B' ' 439' ' ' LEU . 25.8 mtpp -58.44 -31.49 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.78 175.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.609 ' HB2' HD12 ' B' ' 402' ' ' ILE . 2.5 tm? -68.6 -40.25 80.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.077 178.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -81.47 -3.52 53.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 177.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.449 ' HB2' HH11 ' B' ' 441' ' ' ARG . 6.0 tp10 -91.92 -17.25 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.974 175.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.984 -177.333 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 62' ' ' VAL . . . -84.11 6.53 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.135 -172.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.3 108.73 20.45 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HD1' HD12 ' A' ' 176' ' ' ILE . 82.2 m-70 -116.25 148.82 40.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.462 . . . . 0.0 111.928 -173.238 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -131.45 107.16 8.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.715 174.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -118.05 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.526 0.679 . . . . 0.0 110.322 -178.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG23 ' CE1' ' A' ' 83' ' ' PHE . 75.0 mt -104.68 114.95 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.983 -178.088 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.8 ttm -85.96 127.81 34.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 175.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.78 166.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.035 0.445 . . . . 0.0 111.3 -176.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.46 161.44 22.92 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 m -82.6 17.94 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.367 0.603 . . . . 0.0 110.447 -176.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.52 -70.45 0.51 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.376 -176.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.56 -99.8 0.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.454 -0.403 . . . . 0.0 113.37 -177.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m 50.42 18.11 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.036 1.334 . . . . 0.0 113.656 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.26 19.53 78.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.158 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 16.3 ttpp -84.81 57.38 4.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.024 0.916 . . . . 0.0 110.046 -173.7 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -156.65 -34.23 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.914 -1.494 . . . . 0.0 109.487 167.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.77 -55.16 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 178.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.39 -37.79 78.87 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.571 ' HB ' HG22 ' A' ' 66' ' ' ILE . 53.1 p -66.87 -48.67 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.045 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CB ' HG23 ' A' ' 40' ' ' VAL . 87.4 mt -67.72 -30.77 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.733 179.407 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.683 HE22 ' HA ' ' A' ' 39' ' ' PHE . 21.1 mm-40 -58.52 -43.19 89.1 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HE2' HG23 ' A' ' 64' ' ' ILE . 59.5 t80 -72.69 -23.52 60.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.354 . . . . 0.0 111.086 -177.169 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.579 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 65.8 mtm -96.26 -43.97 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.449 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -88.46 -13.61 39.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.082 -179.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 72.8 -39.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.964 0.79 . . . . 0.0 112.031 177.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -97.43 172.41 7.78 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 122.401 0.28 . . . . 0.0 110.938 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.683 ' HA ' HE22 ' A' ' 33' ' ' GLN . 46.7 t80 -75.5 145.4 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -177.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' CB ' ' A' ' 32' ' ' LEU . 60.6 t -99.61 132.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.624 -171.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -87.91 -68.45 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 175.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -134.62 128.21 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 111.75 -179.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -156.34 91.57 1.26 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.6 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 38.7 tt0 -71.6 -53.6 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -172.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 32.3 Cg_exo -58.55 96.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.07 1.847 . . . . 0.0 112.785 -175.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.551 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 15.8 p -144.76 27.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.166 177.431 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -86.75 -56.24 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 110.691 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.83 27.46 6.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.626 178.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.86 107.4 18.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.696 -170.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 30.8 m -93.26 166.77 12.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.612 171.603 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 40.3 t80 -154.71 141.91 19.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.161 178.433 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 52' ' ' ARG . 38.0 mtp-105 -100.99 121.25 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.306 -175.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 54.5 tptt -107.31 133.42 51.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.036 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -99.87 127.94 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.174 176.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.92 163.44 37.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.39 113.33 43.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.669 176.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.6 94.99 9.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 23.07 76.71 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.245 1.591 . . . . 0.0 114.054 -176.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.26 -52.66 0.82 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.14 -1.029 . . . . 0.0 114.349 173.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.16 147.48 26.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.566 0.683 . . . . 0.0 111.899 -170.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.41 114.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 10.0 t -106.65 141.4 21.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.831 -171.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.47 117.65 32.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -119.39 113.16 40.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.333 0.587 . . . . 0.0 109.599 174.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.77 131.13 45.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.836 -178.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG22 ' HB ' ' A' ' 31' ' ' THR . 37.6 mm -107.54 128.62 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.093 -174.346 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.0 tp -109.83 122.89 48.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 176.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.551 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 t0 -94.76 112.75 24.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.24 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 p -86.74 116.61 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.447 . . . . 0.0 112.073 -175.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.65 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 174.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 88.44 0.91 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.195 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -157.99 165.43 35.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -178.917 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.22 -3.55 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.458 178.119 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.2 m-20 -57.13 -70.05 0.14 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.253 176.684 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.672 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.0 m-85 -83.02 -52.53 6.58 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.775 -176.409 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.04 -38.35 0.33 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.592 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -56.55 -30.2 62.84 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.411 0.685 . . . . 0.0 112.207 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.52 -28.44 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.135 -178.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -93.86 -65.95 0.95 Allowed 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.461 178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -74.84 -52.34 11.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.245 0.545 . . . . 0.0 111.62 -172.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.773 ' HB3' HD21 ' B' ' 416' ' ' LEU . 90.1 m-20 -72.01 -16.28 62.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.392 -171.201 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.531 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.2 m-85 -91.53 -33.57 15.11 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.086 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HB2' HG22 ' A' ' 114' ' ' VAL . 11.1 m-30 -59.25 -28.46 66.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -169.232 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -60.79 -42.7 98.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.249 -0.181 . . . . 0.0 111.446 -173.131 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 19.9 m -84.89 12.97 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.823 0.344 . . . . 0.0 111.811 -177.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -156.95 29.57 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 174.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -164.88 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.084 0.442 . . . . 0.0 110.18 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.08 138.44 14.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.944 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.72 137.86 49.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 0.0 111.932 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -108.1 112.88 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.912 176.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.3 106.27 18.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 126' ' ' VAL . 58.3 t -112.04 132.17 61.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.077 -175.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' HZ ' ' HH ' ' A' ' 154' ' ' TYR . 39.1 p90 -144.4 164.98 29.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.731 178.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -99.97 142.67 31.14 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.65 13.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 111.207 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.578 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 30.4 p -126.53 -30.39 2.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 175.136 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -82.53 97.19 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.58 -29.99 70.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.066 -174.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -68.48 -31.54 70.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.809 0.338 . . . . 0.0 110.412 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -73.77 -31.2 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.075 177.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.93 -47.95 73.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -68.08 -28.0 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.166 0.508 . . . . 0.0 110.781 178.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.36 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.462 -177.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 29.1 p -55.8 -40.79 73.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 111.521 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.25 98.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 176.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.43 -43.79 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -60.62 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.203 177.415 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -57.47 -53.92 52.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.754 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.95 -34.26 77.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.963 -176.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -38.32 83.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.924 0.392 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.481 HG21 HD12 ' A' ' 121' ' ' ILE . 65.5 mt -66.64 -40.18 85.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.896 -178.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.23 -10.35 59.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.064 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -76.96 -45.64 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.172 0.51 . . . . 0.0 110.056 174.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.63 HG22 ' HB2' ' A' ' 83' ' ' PHE . 34.7 m -89.05 -27.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 -173.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 118' ' ' GLU . 45.7 mttm -103.14 -98.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.274 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.14 -52.63 0.47 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.865 0.866 . . . . 0.0 113.092 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -82.27 7.95 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 111.565 -177.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 115' ' ' LYS . 6.4 mm-40 -82.38 -178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.99 -177.448 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.73 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 178.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -144.25 138.99 28.38 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -178.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.481 HD12 HG21 ' A' ' 111' ' ' ILE . 36.9 mt -113.08 108.46 53.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.329 -178.167 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.05 111.28 0.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.599 2.866 . . . . 0.0 112.42 177.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.36 121.62 44.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.736 177.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 90' ' ' LEU . 3.4 tt -106.21 121.84 44.99 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.24 118.15 34.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.287 0.565 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.584 ' HB ' HG23 ' A' ' 92' ' ' VAL . 47.5 t -111.52 122.93 66.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.88 -175.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.0 109.33 3.68 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.42 162.93 12.54 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.628 -0.336 . . . . 0.0 110.568 -176.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.595 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 10.9 mmtt 72.6 29.47 2.02 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.771 0.669 . . . . 0.0 111.57 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.425 ' HB2' ' HG ' ' A' ' 158' ' ' SER . 64.1 m -63.81 -3.32 2.32 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 178.615 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.73 -5.53 43.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.313 0.578 . . . . 0.0 110.265 173.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.595 ' HG ' ' HD2' ' A' ' 129' ' ' LYS . 84.3 mt -99.6 35.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.075 173.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.78 -22.62 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -91.91 -25.63 18.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -103.62 17.1 24.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.513 -173.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.546 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 40.6 ttp180 -48.55 113.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.789 0.681 . . . . 0.0 111.228 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.578 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 21.7 tm0? -88.08 -40.62 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 126.46 28.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.019 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.546 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 69.4 Cg_exo -52.02 116.82 3.03 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.72 2.28 . . . . 0.0 111.81 178.508 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.9 OUTLIER -69.6 -18.83 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.34 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -60.01 -52.15 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.588 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.9 pt-20 -70.38 -30.12 66.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.126 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.4 93.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.096 175.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 18.9 mtp180 -60.34 -47.18 87.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.112 172.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 7.7 t -63.42 -17.96 63.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.206 -177.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 51.0 mmtt -79.95 -40.79 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.866 175.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.458 ' HB3' HG23 ' A' ' 152' ' ' VAL . . . -63.71 -39.86 95.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 109.042 171.375 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.527 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 36.7 tt0 -59.62 -43.99 93.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.615 173.699 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.52 -41.79 81.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.178 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -88.44 -6.21 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.803 -176.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.38 39.55 42.6 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.997 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.458 HG23 ' HB3' ' A' ' 147' ' ' ALA . 31.1 m -121.16 -173.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.189 0.519 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.62 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 1.7 pm0 -95.68 145.73 25.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.462 178.274 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HH ' ' HZ ' ' A' ' 93' ' ' PHE . 68.3 t80 -126.82 121.34 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.969 177.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 40.0 t -127.78 135.58 62.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.89 143.71 28.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.349 175.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 16.4 p -131.36 136.34 47.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.2 0.524 . . . . 0.0 110.875 -179.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.425 ' HG ' ' HB2' ' A' ' 130' ' ' SER . 19.4 m -121.82 100.93 7.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.102 178.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.79 -18.36 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -73.78 -17.28 61.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.214 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.5 p -132.55 -0.83 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -176.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 61.94 30.8 18.17 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.851 0.834 . . . . 0.0 110.212 -178.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.59 128.35 38.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.618 -177.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 68.78 6.71 5.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.333 173.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.69 -37.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 110.807 -177.119 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.83 -29.78 56.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.61 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.46 -43.14 97.19 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -175.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.13 -30.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.642 0.258 . . . . 0.0 111.59 -175.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -75.17 -43.11 54.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.612 0.244 . . . . 0.0 110.725 178.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -64.89 -45.66 85.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.165 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.09 -48.87 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 124' ' ' LEU . 39.7 tp -65.13 -32.84 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 -178.688 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.424 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.0 mtm -65.31 -36.35 83.78 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.842 176.786 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -70.09 -34.84 73.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.456 177.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.623 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.5 mm-40 -56.68 -43.29 80.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 172.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.487 HD12 ' HD1' ' A' ' 15' ' ' HIS . 73.5 mt -61.36 -33.69 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.82 -50.64 71.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.977 0.418 . . . . 0.0 110.146 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 19.0 m -60.8 -44.58 96.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.878 -178.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.623 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.5 mptt -62.9 -45.38 92.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.412 -178.719 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.31 -35.89 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.407 179.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.105 -178.855 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.592 ' O ' HG12 ' B' ' 398' ' ' ILE . 6.2 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.6 mt-30 -62.66 -32.85 73.98 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.066 177.088 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -53.2 -55.05 27.35 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.136 0.273 . . . . 0.0 110.635 177.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.84 94.19 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 178.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 394' ' ' THR . 41.8 mm -63.22 -50.2 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.509 178.041 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.2 mttt -60.04 -36.67 77.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.9 mt-10 -58.75 -46.73 86.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.72 -45.53 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.132 178.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.63 HD12 ' HB2' ' B' ' 443' ' ' LEU . 98.1 mt -55.86 -53.41 38.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.566 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.459 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.9 mmm180 -64.11 -30.58 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.634 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 26.8 ttt180 -66.09 -51.38 58.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.137 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.403 ' OE1' HD11 ' B' ' 408' ' ' LEU . 71.3 mm-40 -75.76 -27.29 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -176.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.459 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -59.18 -46.87 87.27 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.84 -44.41 73.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.677 178.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.7 mt -58.51 -50.73 72.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.967 -179.343 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.531 HD11 ' OH ' ' A' ' 82' ' ' TYR . 18.0 tp -66.8 -33.67 76.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.788 178.229 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 57.6 t30 -66.46 -46.28 76.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.114 179.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 411' ' ' SER . . . . . 0.545 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 9.3 t -59.74 -43.79 94.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.252 -178.197 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.554 HD11 ' HG3' ' B' ' 428' ' ' ARG . 71.9 mt -60.72 -41.09 94.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.413 175.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.697 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 22.8 m-70 -58.97 -45.74 89.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.729 176.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.545 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 76.0 mtm180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.489 0.493 . . . . 0.0 111.524 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.69 -43.77 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.315 0.579 . . . . 0.0 111.139 -176.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 81' ' ' ASN . 10.8 mp -78.56 -24.15 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.513 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 71.3 mt-30 -55.45 -33.01 63.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 178.561 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.84 0.11 72.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.743 -177.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.95 -13.12 59.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.766 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.2 mt -79.15 115.52 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.954 0.407 . . . . 0.0 110.313 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.667 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -142.99 154.23 43.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 177.29 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.569 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 15.8 t70 -148.21 164.36 34.19 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.748 -177.372 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.1 -34.47 74.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 19.1 t -64.79 -32.38 74.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.692 ' HB3' HD12 ' B' ' 416' ' ' LEU . 19.4 mmtp -71.96 -53.25 13.64 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.015 0.435 . . . . 0.0 110.523 -175.695 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.433 ' HA ' HD11 ' B' ' 429' ' ' LEU . 15.4 mt-10 -60.97 -44.64 97.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.119 -172.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.82 -33.02 62.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.916 -177.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.615 ' O ' HG12 ' B' ' 432' ' ' VAL . 28.2 tpt180 -69.6 -34.67 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.043 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.652 HD12 HD22 ' B' ' 416' ' ' LEU . 17.3 mt -55.94 -57.03 13.81 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.335 177.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 80.9 m95 -64.41 -30.43 71.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.491 179.685 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 41.7 tt0 -66.5 -55.58 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.481 0.182 . . . . 0.0 111.285 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.615 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.9 p -65.07 -32.94 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.549 . . . . 0.0 109.892 177.755 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -54.45 -51.51 64.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.519 176.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -68.74 -27.02 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.373 -177.376 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -72.12 -46.87 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.455 176.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.3 -41.04 79.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.268 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.466 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 11.9 t -74.2 -35.63 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -177.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -63.59 -35.14 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.361 0.601 . . . . 0.0 109.598 176.007 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.911 HD23 ' HD3' ' B' ' 442' ' ' LYS . 84.1 mt -66.45 -34.8 78.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.417 178.191 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.57 -38.88 82.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.921 HH11 ' HG3' ' B' ' 445' ' ' GLU . 6.8 tmm_? -64.45 -47.41 79.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 176.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.911 ' HD3' HD23 ' B' ' 439' ' ' LEU . 48.2 mtpt -58.57 -40.22 82.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.23 -179.225 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.63 ' HB2' HD12 ' B' ' 402' ' ' ILE . 64.7 tp -60.43 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.987 0.423 . . . . 0.0 111.2 -179.3 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -81.6 -5.96 58.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -178.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.921 ' HG3' HH11 ' B' ' 441' ' ' ARG . 2.1 tm-20 -83.96 -29.67 26.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.238 -178.108 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.011 -177.988 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.76 59.38 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.459 0.647 . . . . 0.0 111.209 -177.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.35 115.04 12.01 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.062 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -102.72 114.27 28.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -82.58 117.42 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.526 -176.118 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' A' ' 66' ' ' ILE . 96.3 t -125.38 107.12 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.935 176.701 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 ' CE2' ' A' ' 89' ' ' PHE . 61.4 mt -98.55 121.57 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.479 ' SD ' HD12 ' A' ' 90' ' ' LEU . 89.1 mmm -89.98 104.95 17.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.553 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 90' ' ' LEU . 22.9 m -95.41 162.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -178.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.61 147.44 4.98 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.571 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.494 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 16.3 t -60.47 -44.99 95.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.305 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.73 -88.9 0.99 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.858 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . -175.19 63.13 0.1 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.493 178.29 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' OD1' ' A' ' 128' ' ' ASN . 21.3 t -55.61 -57.07 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 178.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.51 0.73 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.858 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 56.7 mtpt -85.3 -77.2 0.29 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.614 0.245 . . . . 0.0 111.285 -176.272 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -74.76 -10.15 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.854 -177.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.53 -48.65 47.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.753 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 HG11 ' A' ' 165' ' ' VAL . 89.1 mt -73.03 -30.97 64.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.42 -175.509 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 35' ' ' MET . 20.4 p -63.71 -44.12 94.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.245 . . . . 0.0 111.238 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.67 -39.6 94.43 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.746 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.1 mm-40 -59.35 -40.41 86.29 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-O 121.2 0.524 . . . . 0.0 110.459 177.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -71.17 -17.35 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.546 -178.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' THR . 86.3 mtp -93.76 -47.71 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.143 -0.348 . . . . 0.0 111.819 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -114.9 -11.72 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.25 0.57 2.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.838 0.455 . . . . 0.0 111.32 -173.138 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' HH11 ' A' ' 162' ' ' ARG . 16.1 mm-40 -100.3 161.29 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.383 179.389 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.746 ' HA ' HE22 ' A' ' 33' ' ' GLN . 78.8 t80 -76.65 135.46 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.321 179.406 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.57 118.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.374 0.607 . . . . 0.0 110.741 -179.041 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.82 -55.12 3.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.661 -177.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.69 113.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -177.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.849 ' HE2' ' HH ' ' A' ' 51' ' ' TYR . 38.9 t80 -172.22 111.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.266 176.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 41.4 mt-10 -98.69 -56.44 0.17 Allowed Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.322 179.533 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 79.6 Cg_exo -49.57 116.56 2.39 Favored 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.207 2.605 . . . . 0.0 114.782 -171.062 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.84 25.28 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 172.514 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -85.64 -51.33 6.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.449 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' B' ' 409' ' ' LEU . . . -125.42 17.81 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.684 -179.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 172.29 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.129 0.49 . . . . 0.0 111.482 -177.212 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -153.31 156.4 38.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.849 ' HH ' ' HE2' ' A' ' 43' ' ' TYR . 85.3 m-85 -112.57 108.21 17.21 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.485 -175.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' B' ' 441' ' ' ARG . 3.8 ptm180 -90.04 106.58 18.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.861 0.839 . . . . 0.0 110.039 176.641 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -126.16 128.29 47.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.993 -176.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -76.1 130.24 38.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.482 . . . . 0.0 110.174 177.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.707 HG23 HG21 ' A' ' 62' ' ' VAL . 5.0 m -129.14 141.5 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.499 174.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 5.9 p -122.78 106.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.626 0.727 . . . . 0.0 110.737 -177.249 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -89.69 99.43 12.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.025 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 55.59 5.62 0.15 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 113.415 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.34 -32.42 0.64 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.361 -0.924 . . . . 0.0 113.123 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 11.9 pt-20 -80.29 113.06 18.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.007 0.403 . . . . 0.0 110.937 -178.603 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.88 101.29 8.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 109.985 174.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.707 HG21 HG23 ' A' ' 55' ' ' VAL . 32.8 m -116.75 -173.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.27 -179.452 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -128.92 150.62 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.311 -179.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.579 HD11 ' SD ' ' A' ' 173' ' ' MET . 18.9 tt -106.73 141.24 22.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.52 109.82 19.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -175.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' A' ' 17' ' ' VAL . 39.0 mm -109.62 127.47 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.386 -171.582 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 134.26 53.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.924 175.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -89.77 -172.72 3.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 p -143.31 141.02 30.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.024 0.44 . . . . 0.0 111.519 -179.067 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.7 124.41 29.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.675 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -85.27 50.56 4.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.215 -176.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.86 163.71 37.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.72 7.68 46.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.849 0.356 . . . . 0.0 111.388 -175.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.444 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.4 m-20 -74.46 -69.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.866 172.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 80.3 m-85 -78.23 61.58 2.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.457 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -25.55 67.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.559 178.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.654 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.12 -7.17 27.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.535 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.62 -38.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -92.07 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.555 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.86 -48.7 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.317 0.58 . . . . 0.0 111.516 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.5 m-20 -64.58 -35.3 80.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.833 -171.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' B' ' 429' ' ' LEU . 2.4 m-85 -70.1 -29.0 65.85 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.482 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB3' HG22 ' A' ' 114' ' ' VAL . 15.6 m-30 -58.6 -27.07 64.31 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -175.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.47 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 1.8 tmm_? -62.02 -33.78 74.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.552 -172.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.487 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 23.3 t -111.92 20.2 17.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.3 172.14 37.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.35 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -120.68 -78.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.786 0.293 . . . . 0.0 110.355 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.26 18.6 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.038 -178.585 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 18' ' ' ILE . 72.4 m-85 -130.78 134.96 47.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.494 0.188 . . . . 0.0 110.716 -176.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.479 HD12 ' SD ' ' A' ' 19' ' ' MET . 63.3 mt -106.76 114.3 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.039 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.64 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.607 179.01 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.616 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -101.52 131.63 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 111.74 -176.242 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -144.85 172.65 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 p -118.63 157.55 27.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.576 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -75.27 13.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.741 179.17 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 135' ' ' ARG . 4.8 p -119.0 -42.15 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 175.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.62 99.43 8.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.014 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.63 -20.98 49.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.035 178.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.54 -39.1 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.144 -178.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 p -67.8 -26.31 66.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.547 177.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -70.36 -32.3 69.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.231 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -67.21 -34.17 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.399 0.619 . . . . 0.0 110.01 174.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.57 -15.75 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.266 -175.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.9 p -58.17 -42.62 86.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.027 0.441 . . . . 0.0 110.499 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.64 84.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.03 -45.86 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 179.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.489 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.7 m-85 -58.84 -48.46 81.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -51.99 -51.3 58.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.489 -177.233 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.16 -33.92 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -66.95 -34.03 76.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.998 0.428 . . . . 0.0 110.474 176.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 107' ' ' PHE . 94.1 mt -64.57 -44.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.347 177.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.7 mp -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 111.038 177.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -79.26 -41.55 27.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 177.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 83' ' ' PHE . 34.2 m -87.71 -26.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.577 -178.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 38.6 mtmt -138.49 120.66 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.539 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.33 115.27 11.49 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.722 -0.391 . . . . 0.0 112.022 -176.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.87 18.81 4.07 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.005 174.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -86.18 -46.73 10.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.595 0.236 . . . . 0.0 111.039 -178.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -135.09 -129.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.749 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 32.5 mmmt -133.36 106.63 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -176.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.425 HG23 ' CG2' ' A' ' 111' ' ' ILE . 38.9 mt -93.61 111.39 52.26 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.934 -173.552 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.417 ' HG3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 Cg_endo -91.01 119.84 0.64 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.347 2.698 . . . . 0.0 112.516 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.76 122.88 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.852 177.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 153' ' ' GLN . 13.9 tp -119.23 123.52 44.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.987 0.422 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.33 117.27 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.762 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.616 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.5 t -105.14 110.12 29.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.614 -176.011 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.26 98.32 2.36 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.494 ' OD1' HG12 ' A' ' 25' ' ' VAL . 7.9 p30 -105.24 -178.83 3.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.271 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 64.0 mmtt 63.88 23.7 13.45 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -174.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.2 t -63.99 -1.22 1.38 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.567 -172.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.81 -18.07 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.429 0.633 . . . . 0.0 110.343 179.201 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 96' ' ' THR . 35.1 mt -82.95 79.16 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.107 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.62 -11.99 28.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.568 176.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.921 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.0 pt-20 -98.59 -14.73 19.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.409 -177.291 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.921 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 90.0 mtt180 -127.46 16.27 7.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -172.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.576 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 60.8 ttp180 -60.94 113.84 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.368 -176.24 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 11.9 mm-40 -100.45 -22.7 14.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.339 -178.139 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 2.5 p -109.29 116.48 54.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.656 174.526 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.452 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 19.6 Cg_endo -59.26 118.84 5.79 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.424 2.083 . . . . 0.0 110.607 174.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.473 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -67.54 -8.83 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 -175.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.25 -51.02 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.586 174.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.3 pt-20 -70.83 -27.36 63.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.649 -178.724 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.28 66.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 177.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -67.53 -33.09 74.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 109.784 177.379 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -59.62 -51.38 70.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.087 176.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -55.9 -41.64 74.79 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 174.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.62 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.469 177.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.77 -29.95 67.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.77 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.65 -45.6 93.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -86.1 -21.21 27.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.532 -178.548 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.64 28.71 10.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.435 179.09 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.4 m -112.36 -177.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.498 0.189 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.7 ' HG2' HD12 ' A' ' 124' ' ' LEU . 14.3 pm0 -106.3 159.52 16.06 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.418 -178.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.427 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 46.3 t80 -131.61 124.38 29.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.059 178.498 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.46 128.29 65.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -177.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.36 137.04 32.7 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.265 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 164' ' ' ASN . 31.9 p -143.87 166.9 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.0 111.573 -175.469 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.3 t -143.95 133.23 23.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 173.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -96.45 -3.24 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.401 175.188 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -87.09 -57.45 2.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.611 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.5 p -87.6 -7.79 57.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.669 178.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.422 HH11 ' HA ' ' A' ' 38' ' ' GLU . 85.7 mtm180 60.73 90.0 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.529 178.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -156.03 128.43 7.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.857 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.586 ' OD1' ' HE2' ' A' ' 167' ' ' LYS . 32.8 t30 72.46 9.27 5.76 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.151 0.907 . . . . 0.0 112.131 168.479 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 33' ' ' GLN . 55.4 t -63.84 -33.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.82 -173.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.11 -25.76 62.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.009 -173.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.586 ' HE2' ' OD1' ' A' ' 164' ' ' ASN . 19.9 ttmm -62.46 -52.4 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -174.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.471 HG13 HG11 ' A' ' 126' ' ' VAL . 27.0 m -57.91 -33.41 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.21 -56.65 4.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.926 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -63.55 -33.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.33 -51.18 69.92 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.809 176.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.7 tp -63.29 -41.02 98.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.354 0.597 . . . . 0.0 110.16 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.579 ' SD ' HD11 ' A' ' 64' ' ' ILE . 58.3 mtp -63.7 -33.16 75.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.405 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 10.4 mmm-85 -74.75 -34.71 62.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.126 177.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.27 -35.96 76.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 110.283 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 172' ' ' LEU . 70.4 mt -58.37 -28.23 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.07 178.711 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 70.5 mtt180 -61.42 -52.24 65.41 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.3 m -67.82 -36.88 81.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 -178.022 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.749 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -63.28 -55.86 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.594 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -73.13 -35.4 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtm . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.189 178.781 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.418 ' HG2' ' HB2' ' B' ' 446' ' ' ALA . 53.0 mt-30 -65.76 -29.14 69.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 178.68 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.88 72.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.696 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.11 -42.07 98.21 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.799 178.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.2 mm -59.11 -49.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.442 0.163 . . . . 0.0 111.328 179.019 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.3 mttt -62.27 -36.0 80.7 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -177.136 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.96 -42.22 94.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.345 176.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -70.69 -31.57 68.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.2 mt -59.05 -50.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.64 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -59.78 -36.62 77.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 176.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 38.3 ttm180 -62.64 -45.9 90.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.533 176.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.437 ' HB2' HD21 ' B' ' 436' ' ' LEU . 34.2 mm-40 -70.2 -38.93 75.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.286 -179.042 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.0 mt-10 -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -57.83 -47.1 83.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.995 176.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.641 ' HB2' HG23 ' B' ' 432' ' ' VAL . 61.0 mt -59.65 -52.21 66.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 48' ' ' ALA . 14.4 tp -64.76 -43.06 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.982 -179.303 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.413 HD22 ' CZ ' ' B' ' 414' ' ' ARG . 13.7 t30 -57.07 -52.38 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.333 179.367 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.1 t -63.56 -47.84 79.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.486 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.454 ' O ' HD11 ' B' ' 416' ' ' LEU . 77.8 mt -58.31 -37.83 75.86 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.034 0.445 . . . . 0.0 110.804 177.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.11 -48.47 75.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.413 ' CZ ' HD22 ' B' ' 410' ' ' ASN . 96.9 mtt180 -73.63 -40.43 63.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.463 -176.3 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.0 -53.63 54.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.37 0.605 . . . . 0.0 110.531 -177.13 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.752 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.9 mp -69.07 -26.73 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.076 -175.504 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.2 mt-30 -68.28 -21.38 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 175.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.64 5.25 53.15 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.383 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.7 5.7 62.82 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.411 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.752 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 47.6 mt -116.72 118.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.464 ' CB ' ' HG ' ' B' ' 416' ' ' LEU . 19.6 pttp -143.4 156.24 44.61 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.427 174.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.613 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.4 t70 -139.73 157.5 45.65 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.388 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.71 -29.91 70.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.956 0.407 . . . . 0.0 110.914 -176.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -66.53 -32.2 73.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.236 178.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 54.5 mmtt -73.07 -46.5 51.27 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.275 -176.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 35.1 mt-10 -62.4 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.988 -175.167 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.04 -41.31 67.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.985 -179.108 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG13 ' B' ' 432' ' ' VAL . 5.7 mmt180 -64.01 -30.47 71.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.975 175.543 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 9.0 mt -56.25 -52.65 63.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.403 0.44 . . . . 0.0 110.155 174.325 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.529 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 65.7 m95 -61.55 -44.6 96.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.268 178.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.47 ' O ' HG13 ' B' ' 435' ' ' ILE . 47.0 mt-10 -60.04 -55.05 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.416 -176.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' B' ' 408' ' ' LEU . 11.5 p -62.93 -32.14 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 121.148 0.499 . . . . 0.0 110.457 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.1 tp60 -54.49 -56.33 19.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.398 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.94 -28.74 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.807 -179.288 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' B' ' 432' ' ' VAL . 82.3 mt -61.65 -45.52 98.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.792 175.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.494 ' CD1' ' HE3' ' B' ' 440' ' ' LYS . 3.4 tm? -57.14 -45.4 83.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.833 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.482 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.0 t -75.38 -37.5 60.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 -177.015 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.16 -34.87 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.441 0.638 . . . . 0.0 109.713 176.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' B' ' 442' ' ' LYS . 38.0 tp -70.33 -32.25 69.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.153 178.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' B' ' 436' ' ' LEU . 96.4 mttt -59.98 -38.24 81.97 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 109.486 171.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.415 ' HG3' ' NH1' ' A' ' 52' ' ' ARG . 5.0 tmt_? -64.06 -39.16 93.47 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.548 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.676 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 28.0 mtpp -63.62 -25.19 68.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.815 177.488 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.402 ' HA ' HG21 ' B' ' 398' ' ' ILE . 45.6 tp -67.2 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.176 0.513 . . . . 0.0 109.705 174.09 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -82.86 -3.15 56.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 110.683 175.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.676 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -87.33 -19.13 28.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.769 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.517 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.04 6.7 41.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.154 0.502 . . . . 0.0 111.513 -178.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.7 107.07 11.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.742 176.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.674 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 26.6 m-70 -111.35 121.96 46.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -171.666 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -104.51 122.3 45.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.825 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.29 131.12 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.125 0.488 . . . . 0.0 110.836 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.39 123.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 45.6 mtt -91.05 137.85 32.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.821 0.343 . . . . 0.0 110.549 176.118 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.7 157.12 23.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.229 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.57 -179.41 43.33 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t -93.2 68.29 4.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 -177.211 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 78.67 -61.68 3.96 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.877 177.905 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -96.72 -94.1 1.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.586 -176.777 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.491 ' HB ' ' HA ' ' A' ' 93' ' ' PHE . 11.6 m 56.49 -38.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 126.22 1.808 . . . . 0.0 114.262 -177.158 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 127.17 10.71 3.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.854 -176.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -65.86 -15.89 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' HD23 ' A' ' 32' ' ' LEU . 61.3 m -96.1 -25.3 15.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 111.339 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -52.33 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.674 0.273 . . . . 0.0 111.716 -175.908 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.55 -40.39 94.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.054 -173.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.49 ' HB ' HG22 ' A' ' 66' ' ' ILE . 20.7 p -68.58 -43.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.629 0.252 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.64 -43.49 98.76 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.879 176.736 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.5 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 89.6 t80 -64.18 -25.89 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.253 -178.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.582 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 66.2 mtm -92.09 -48.77 6.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -83.61 -14.43 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.73 31.8 11.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.86 177.55 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 176.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.53 135.92 36.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.883 -176.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -86.41 132.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.8 -70.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.031 0.443 . . . . 0.0 110.165 -177.524 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.33 107.89 9.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 178.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -154.45 90.93 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.041 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.608 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 47.3 mt-10 -87.6 -51.78 0.41 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.145 -177.382 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.608 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 78.5 Cg_exo -52.0 112.5 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.35 2.033 . . . . 0.0 112.789 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.537 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -152.84 47.83 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.75 175.611 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.509 ' O ' HD12 ' A' ' 78' ' ' ILE . 35.6 ttpt -87.02 -56.7 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.563 -179.156 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.5 16.15 9.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.825 0.821 . . . . 0.0 108.798 174.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.537 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -82.21 79.73 8.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.662 -175.115 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -94.69 159.74 14.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.674 178.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -143.26 169.58 17.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 111.709 -175.8 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -123.37 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.298 -173.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.582 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 52.8 tptt -125.29 122.74 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -96.54 122.11 39.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.5 m -129.07 144.62 37.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.87 174.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.37 119.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 121.483 0.658 . . . . 0.0 110.279 178.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 170' ' ' PHE . 91.0 mt -103.86 101.97 11.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.163 -176.523 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 69.08 -1.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.5 171.023 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.48 -24.78 1.36 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.948 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.12 135.39 44.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 117.352 0.576 . . . . 0.0 110.736 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.89 109.23 16.07 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.129 178.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.82 145.71 14.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.375 -177.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.38 129.01 50.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.264 0.554 . . . . 0.0 110.81 -175.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 173' ' ' MET . 20.8 tt -110.94 133.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.512 -177.337 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -103.0 118.19 36.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.342 -175.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.49 HG22 ' HB ' ' A' ' 31' ' ' THR . 52.7 mt -109.56 123.0 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.185 0.517 . . . . 0.0 111.698 -171.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.33 117.1 26.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.504 176.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -97.49 108.34 21.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.196 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 78' ' ' ILE . 11.4 p -66.66 135.16 53.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.339 -177.658 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 125.05 24.14 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.794 177.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.668 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.82 76.14 2.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.409 179.75 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.557 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -165.11 166.15 19.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.367 0.267 . . . . 0.0 110.346 178.657 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -90.93 -14.49 31.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.995 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.409 ' HB2' HD12 ' A' ' 72' ' ' LEU . 6.3 m-20 -59.69 -71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 111.401 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' H ' HD12 ' A' ' 72' ' ' LEU . 87.7 m-85 -85.59 64.81 8.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.655 -176.505 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.85 -18.39 62.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.357 176.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.831 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.05 -20.51 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 175.624 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.72 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 mt -92.51 -36.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -89.61 -65.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -177.407 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.61 -47.18 23.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.307 0.575 . . . . 0.0 111.55 -174.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.831 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.0 m-20 -77.25 -17.25 58.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.673 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.72 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -80.35 -17.12 52.89 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.91 177.063 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -70.65 72.81 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.493 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG3' ' OE1' ' B' ' 426' ' ' GLU . 16.1 mmm180 -148.69 -71.81 0.2 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.77 177.327 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.8 m -78.77 21.74 0.4 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.907 -176.419 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.39 144.6 15.87 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 176.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.669 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 43.8 mm-40 -88.56 -70.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 -177.155 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.9 150.3 16.88 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.662 -173.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -124.01 135.3 53.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 124' ' ' LEU . 62.3 mt -105.52 115.28 29.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -178.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.544 HD11 HG23 ' A' ' 125' ' ' VAL . 34.8 mt -89.42 106.5 18.49 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 176.78 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.916 HG12 ' HB ' ' A' ' 126' ' ' VAL . 15.7 m -116.9 137.73 49.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.056 0.455 . . . . 0.0 111.65 -176.005 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.491 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 48.9 p90 -156.18 159.14 38.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.729 178.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.719 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 46.4 t -86.76 144.06 27.24 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.271 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.46 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -72.25 7.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.452 -178.775 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 135' ' ' ARG . 17.4 p -98.26 -22.59 16.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.055 171.268 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.719 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 23.4 mm-40 -96.77 94.38 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.429 -174.756 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -79.0 -18.82 53.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.074 0.464 . . . . 0.0 109.993 -179.068 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -64.23 -52.22 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.445 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -24.5 64.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.0 t80 -64.45 -43.48 94.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.596 174.247 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -71.48 -28.15 63.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.372 0.606 . . . . 0.0 109.981 177.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.53 -13.89 61.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.203 -179.176 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.435 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 40.6 p -55.1 -35.52 64.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.812 0.339 . . . . 0.0 111.597 -179.031 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.89 -47.11 86.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.306 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -63.02 -41.1 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 111' ' ' ILE . 18.9 m-85 -57.01 -51.12 70.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' O ' HD11 ' A' ' 112' ' ' LEU . 4.1 ptm180 -68.11 -40.25 82.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.883 -177.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.61 -31.05 69.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 0.0 111.23 -177.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.1 -32.96 71.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.278 0.561 . . . . 0.0 109.669 177.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.7 mt -68.38 -46.76 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.455 175.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.438 HD11 ' O ' ' A' ' 108' ' ' ARG . 11.0 mp -64.12 -16.45 61.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 179.073 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.16 -41.82 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.855 0.36 . . . . 0.0 110.636 176.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.32 -23.39 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.939 0.4 . . . . 0.0 111.456 -176.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -124.33 105.97 9.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.203 178.775 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.33 11.52 1.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 178.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.25 24.6 4.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.596 0.712 . . . . 0.0 109.835 -176.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -175.63 3.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.135 -176.265 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.95 -75.82 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.239 0.543 . . . . 0.0 109.873 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 65.1 mmtt -151.37 131.42 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.744 178.278 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -92.48 107.77 26.29 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 123.287 0.367 . . . . 0.0 110.362 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 31.9 Cg_endo -92.32 126.56 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.271 2.647 . . . . 0.0 112.47 178.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.67 147.24 44.0 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 178.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.63 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.3 tp -135.04 119.13 17.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.072 0.463 . . . . 0.0 109.939 176.498 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.544 HG23 HD11 ' A' ' 91' ' ' LEU . 17.8 t -88.62 117.07 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.046 -178.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.916 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.0 t -115.28 123.69 71.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.947 -174.681 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.17 113.35 4.03 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 176.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.536 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.6 m120 -91.82 154.68 18.74 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.775 0.288 . . . . 0.0 110.81 -176.352 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER 64.73 36.15 8.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.547 174.12 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 42.3 p -68.92 11.08 0.22 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.99 0.424 . . . . 0.0 112.018 -176.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 129' ' ' LYS . 39.2 t70 -79.82 -12.69 59.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.705 0.764 . . . . 0.0 109.465 174.508 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 52.1 mt -83.03 52.15 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.94 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.96 -28.27 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.908 0.385 . . . . 0.0 111.144 -177.617 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.42 -6.54 46.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -178.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.646 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.5 mtp180 -121.52 2.07 10.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.491 -174.737 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.499 ' HD2' HG22 ' A' ' 140' ' ' VAL . 34.8 ttp180 -61.7 114.32 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 0.0 111.267 -176.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 71.8 mm-40 -101.09 -20.25 15.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.664 -179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.5 t -90.94 110.16 40.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.658 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.0 Cg_exo -60.47 103.24 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 121.347 1.364 . . . . 0.0 109.76 174.412 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 HG22 ' HD2' ' A' ' 136' ' ' ARG . 2.3 t -56.83 -25.56 22.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.424 -172.698 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.18 -43.36 82.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.441 178.04 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 18.1 pt-20 -74.96 -26.14 59.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -70.06 -39.94 75.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.0 110.508 176.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.19 -32.13 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.319 177.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.1 t -75.78 -29.48 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.925 0.869 . . . . 0.0 108.792 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.538 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 13.8 tppt? -65.35 -50.51 65.3 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 114.365 -1.288 . . . . 0.0 110.056 175.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 152' ' ' VAL . . . -64.07 -39.8 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 176.828 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.53 -46.74 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.717 177.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.91 -35.21 79.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.755 -177.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.538 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 43.0 m0 -81.24 -19.8 42.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.282 -177.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.22 29.45 19.8 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.91 -178.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 147' ' ' ALA . 15.1 m -122.67 -179.41 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.607 0.242 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.51 147.1 27.98 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -117.28 122.52 44.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 38.3 t -127.14 130.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.433 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.58 132.76 33.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.1 p -115.6 128.16 55.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.31 0.576 . . . . 0.0 111.694 -175.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 5.2 m -103.76 92.03 4.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.447 177.754 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -72.65 5.7 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.293 -174.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -87.76 -12.33 45.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.418 HG23 ' HB1' ' A' ' 163' ' ' ALA . 9.0 t -147.36 12.33 1.05 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.571 -179.355 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 60.0 27.38 16.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.745 -178.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.609 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -70.28 114.33 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.329 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 71.81 0.29 3.46 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.125 0.89 . . . . 0.0 111.869 179.225 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.77 -46.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.452 -178.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.59 -35.3 67.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.213 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -56.13 -50.03 72.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.129 -177.583 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.05 -27.57 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.113 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.7 -45.92 41.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.573 0.225 . . . . 0.0 110.589 176.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.546 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 49.3 m-85 -68.2 -45.09 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.207 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -50.65 69.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.992 178.486 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.05 -38.88 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.242 -178.426 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.653 ' HE1' HD11 ' A' ' 64' ' ' ILE . 15.7 ptp -67.67 -29.94 69.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.264 -179.153 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 28.3 mmt180 -63.41 -47.74 80.71 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 173.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.31 -42.67 63.99 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.503 175.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.9 mt -55.93 -37.25 47.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 179.692 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.674 ' HG3' ' HE1' ' A' ' 15' ' ' HIS . 45.3 mtp85 -71.96 -52.47 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 179.46 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.1 m -61.22 -35.06 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.025 -177.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.68 -50.11 72.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 176.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 73.3 mmtt -67.22 -25.21 65.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 0.0 111.011 -178.724 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 65.5 mtt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.478 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.0 m . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.248 0.547 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -64.94 -25.7 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.66 68.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.756 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.11 94.12 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.71 176.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.572 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -61.74 -48.15 90.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.48 0.181 . . . . 0.0 110.677 178.113 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -57.39 -43.73 83.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.085 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.75 -36.35 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.144 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 24.9 mm-40 -80.03 -34.1 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' B' ' 443' ' ' LEU . 87.1 mt -57.74 -52.4 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 174.406 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -66.89 -29.09 68.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 58.7 ttp85 -62.99 -47.78 81.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.3 mm-40 -69.43 -37.77 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.251 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.468 ' HG2' HD23 ' B' ' 436' ' ' LEU . 40.8 mt-10 -61.35 -42.12 98.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.385 176.238 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.1 -47.76 78.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.788 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 69.7 mt -59.49 -50.86 72.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.561 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.493 HD12 ' OH ' ' A' ' 82' ' ' TYR . 56.2 tp -64.41 -34.53 78.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.616 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' B' ' 413' ' ' HIS . 64.6 t30 -67.7 -33.96 75.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.654 178.047 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 47.4 t -59.08 -53.7 55.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.765 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.438 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -60.44 -33.44 72.55 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.225 0.536 . . . . 0.0 110.683 175.456 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 18.2 m170 -69.22 -32.78 72.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.923 -177.878 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -77.39 -53.23 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.11 -41.28 92.25 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 81' ' ' ASN . 9.3 mp -66.46 -25.51 66.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.517 -174.508 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 76.9 mt-30 -58.82 -21.6 56.76 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.672 0.273 . . . . 0.0 111.614 -178.838 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.38 -7.19 88.65 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 92.63 40.77 4.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.19 -178.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.1 mt -114.04 121.9 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -179.01 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -120.57 144.07 48.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.654 0.74 . . . . 0.0 111.522 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.658 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.5 t70 -148.78 152.64 36.89 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.275 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -62.26 -26.55 68.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.82 0.736 . . . . 0.0 110.091 176.401 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 9.9 m -66.44 -36.12 82.0 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.518 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.729 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.39 -37.21 71.57 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.473 -174.033 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.729 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.7 pt-20 -73.57 -38.51 65.17 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.311 -177.198 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 49.6 mt-10 -61.17 -51.2 70.05 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.631 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.525 ' O ' HG13 ' B' ' 432' ' ' VAL . 11.6 mmt180 -65.06 -42.53 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.637 -179.109 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 7.1 mt -54.85 -57.32 12.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 123.378 0.424 . . . . 0.0 111.85 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.662 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 71.9 m95 -64.92 -45.05 87.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -175.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.43 ' O ' HG13 ' B' ' 435' ' ' ILE . 7.5 mm-40 -60.54 -53.97 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -177.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.618 ' HA ' HD11 ' B' ' 435' ' ' ILE . 13.8 p -63.63 -34.2 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.008 0.432 . . . . 0.0 110.396 -179.69 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.457 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.31 -46.6 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.602 174.314 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.662 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 13.9 mtt180 -70.73 -33.4 70.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.128 178.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' B' ' 432' ' ' VAL . 53.9 mt -65.87 -43.46 93.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.034 176.637 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 35.0 tp -58.22 -45.57 87.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 174.876 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.537 HG23 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.386 -177.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.87 -41.92 91.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 172.451 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.609 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.9 mm? -61.63 -40.35 94.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.322 176.184 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 73.1 mmtt -60.22 -41.61 93.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 176.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.06 -43.33 92.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.246 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.5 -35.59 72.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 178.186 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' B' ' 402' ' ' ILE . 62.7 tp -65.74 -40.06 91.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.484 177.489 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -82.34 -6.22 59.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.88 -36.19 11.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 -177.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.582 -179.672 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.234 0.274 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.442 ' HA ' HG23 ' A' ' 62' ' ' VAL . . . -95.51 0.42 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 111.468 -179.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.03 109.87 15.56 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.302 0.572 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.517 ' HD1' ' HB3' ' A' ' 173' ' ' MET . 33.2 m170 -118.38 122.05 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.045 -176.278 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.814 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 29.6 mmtp -115.2 113.27 23.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 179.265 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -116.28 100.49 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.646 0.736 . . . . 0.0 110.004 175.244 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.68 126.43 42.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 -175.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 29.9 mtt -83.95 115.88 22.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.68 177.28 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.82 138.31 21.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.038 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.84 -174.02 33.19 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -178.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 28.6 m -119.72 -80.6 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.108 0.454 . . . . 0.0 111.494 -178.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.95 -37.12 0.45 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.163 -175.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 -132.35 7.71 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 -177.57 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t 62.71 -56.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.073 0.949 . . . . 0.0 111.556 -172.068 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -56.12 0.69 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -175.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.807 ' HZ2' ' HB ' ' A' ' 92' ' ' VAL . 29.6 mmmt 69.46 -52.66 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.192 1.397 . . . . 0.0 111.784 173.494 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.523 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 9.1 m -82.45 -19.51 38.78 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.931 -170.575 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.56 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.57 -36.37 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.033 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD11 ' ND2' ' A' ' 128' ' ' ASN . 5.6 mp -74.6 -46.42 38.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -177.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.594 HG23 HG23 ' A' ' 66' ' ' ILE . 26.6 p -70.91 -29.83 66.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -176.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.16 -38.71 84.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 175.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.856 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -64.86 -33.61 76.42 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -179.423 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -72.65 -22.98 60.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -176.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.505 ' HE3' ' CE2' ' A' ' 36' ' ' TYR . 48.3 ttp -105.05 -46.2 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.92 -177.066 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.533 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 60.6 m-85 -101.11 -35.55 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.259 -178.419 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 72.6 25.39 2.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.007 0.817 . . . . 0.0 110.534 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 11.9 pt-20 -121.7 151.9 39.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.231 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.856 ' HA ' HE22 ' A' ' 33' ' ' GLN . 27.5 t80 -75.54 145.94 40.89 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.225 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.82 116.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.477 0.655 . . . . 0.0 112.155 -173.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.9 -42.44 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.537 173.113 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -158.43 131.01 7.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.268 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -162.54 101.74 1.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.161 178.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.04 -52.25 0.86 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.548 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.05 114.24 1.06 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 178.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 t -163.16 -13.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.416 -174.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -85.57 -56.34 3.55 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 21.91 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.941 -178.604 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.63 97.19 6.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -173.496 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.0 p -91.38 162.88 14.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.482 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.01 134.46 36.63 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 -179.578 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 12.7 ptm180 -112.88 118.97 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.206 -176.16 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -107.57 142.85 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.388 179.857 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -97.02 116.31 28.99 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.129 176.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.89 146.19 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.625 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.21 133.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.112 0.482 . . . . 0.0 110.986 176.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.39 97.48 5.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 51.3 81.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.223 0.952 . . . . 0.0 111.521 -175.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.87 -129.54 1.89 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.645 179.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 62' ' ' VAL . 8.8 pt-20 -113.33 156.2 23.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -174.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 44.9 mt-10 -58.73 109.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.721 179.221 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 60' ' ' GLU . 90.8 t -106.77 139.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.188 -179.12 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.16 124.31 52.25 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.77 178.566 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.576 HD11 ' SD ' ' A' ' 173' ' ' MET . 12.9 tt -104.73 112.19 37.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.198 179.634 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.814 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 3.4 t70 -106.97 114.38 28.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.452 -177.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.594 HG23 HG23 ' A' ' 31' ' ' THR . 76.7 mt -108.02 121.06 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.804 -170.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.0 105.22 17.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.306 172.263 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.523 ' CG ' ' HG ' ' A' ' 28' ' ' SER . 33.7 t70 -72.74 100.28 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.574 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -88.47 133.36 34.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -166.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.97 117.53 20.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.163 176.434 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -79.87 54.65 4.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.312 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -106.26 173.43 6.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -177.819 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.49 7.35 32.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.676 0.751 . . . . 0.0 109.001 175.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.488 ' HB2' HD23 ' A' ' 72' ' ' LEU . 4.8 m-20 -82.8 -83.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.892 -178.894 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.632 ' HA ' ' HG3' ' B' ' 417' ' ' GLN . 81.4 m-85 -80.03 81.94 6.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.315 -177.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.46 -20.44 66.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.194 0.521 . . . . 0.0 111.249 178.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.82 -23.1 64.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.313 179.682 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.656 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.7 mt -88.83 -39.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.91 0.386 . . . . 0.0 110.803 -176.775 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -91.6 -64.65 1.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.083 -177.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.22 -56.84 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.607 -171.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.647 HD21 ' HA ' ' A' ' 77' ' ' ALA . 88.9 m-20 -69.05 -40.47 78.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.414 -171.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.656 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 2.5 m-85 -64.19 -27.83 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.29 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.619 ' HB2' HG21 ' A' ' 114' ' ' VAL . 14.4 m-30 -62.66 -27.57 69.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.13 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.542 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 64.7 ttt180 -60.14 -55.7 30.68 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -172.674 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.615 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 18.6 m -82.41 15.7 2.38 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 111.539 178.157 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.21 153.07 23.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 176.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -98.8 -76.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.817 0.309 . . . . 0.0 110.602 -176.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.668 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.91 155.76 16.28 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.102 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -130.65 129.61 42.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.341 0.591 . . . . 0.0 111.236 -176.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.71 107.1 19.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.092 179.485 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 123' ' ' LEU . 74.4 mt -81.87 105.3 12.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.802 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.807 ' HB ' ' HZ2' ' A' ' 27' ' ' LYS . 47.9 t -120.86 113.32 39.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.467 -173.09 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 35.4 p90 -127.89 155.54 44.0 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.041 0.838 . . . . 0.0 109.191 179.179 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 23.1 t -84.64 139.97 31.68 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.821 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -71.57 1.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.004 0.43 . . . . 0.0 111.316 -177.725 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 14.8 p -107.49 10.25 29.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.361 0.6 . . . . 0.0 110.234 172.874 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 71.5 mt-10 -122.86 93.62 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.829 176.07 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -69.89 -28.33 65.54 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.934 178.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.91 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.221 0.534 . . . . 0.0 110.191 176.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 14.9 m -62.75 -31.41 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.604 178.698 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 46.5 t80 -65.36 -51.75 58.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.128 177.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 m -65.81 -28.88 69.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 110.763 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.63 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.34 -178.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 43.2 p -58.93 -36.67 75.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.757 0.313 . . . . 0.0 111.328 -178.855 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.32 94.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.661 177.317 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 -42.17 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.794 179.484 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.543 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.13 -49.46 75.86 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -53.24 -55.57 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.913 178.736 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.22 -33.04 74.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.116 -175.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.99 -32.53 73.82 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 121' ' ' ILE . 92.9 mt -66.34 -45.33 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.66 176.179 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.48 -10.57 59.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 111.116 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -78.06 -34.1 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.96 0.41 . . . . 0.0 110.407 177.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -101.51 -18.82 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.567 -178.222 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 45.5 mtpt -111.47 -126.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 177.744 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.05 1.15 2.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.363 0.665 . . . . 0.0 112.24 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -107.4 -0.42 22.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.272 0.558 . . . . 0.0 110.001 177.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -107.54 -165.21 1.04 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.18 -176.715 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -70.83 -82.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.197 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.1 mptt -141.67 133.48 27.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -177.159 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.573 HD12 HG23 ' A' ' 111' ' ' ILE . 85.0 mt -96.28 107.96 38.69 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.346 176.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.668 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.7 Cg_endo -84.01 127.27 4.05 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.217 2.611 . . . . 0.0 111.801 177.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 91' ' ' LEU . 6.4 mp -116.15 133.63 55.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -128.02 118.9 24.35 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 173.613 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.53 122.15 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.703 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.564 ' HB ' HG21 ' A' ' 92' ' ' VAL . 61.1 t -112.13 121.79 65.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.018 -176.058 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.9 96.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 175.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.48 ' ND2' HD11 ' A' ' 30' ' ' LEU . 18.6 t-20 -82.94 148.89 27.37 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.689 ' HG3' ' HG ' ' A' ' 132' ' ' LEU . 19.4 tptm 73.06 26.79 2.13 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.997 0.811 . . . . 0.0 110.414 174.304 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 156' ' ' GLU . 33.1 t -64.18 -10.14 21.24 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.896 -178.446 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 1.5 p30 -74.07 -2.57 24.96 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.458 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.689 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 95.5 mt -73.43 -55.17 6.72 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 171.044 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 64.49 -72.73 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.986 0.804 . . . . 0.0 112.147 177.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.871 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.9 pt-20 -62.11 -30.2 70.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.041 0.448 . . . . 0.0 111.885 -174.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.871 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 71.1 mtt180 -107.0 14.68 26.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -173.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -59.27 117.28 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.061 0.458 . . . . 0.0 110.436 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.509 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 34.2 tt0 -78.9 -37.26 40.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.992 -175.045 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 95' ' ' ILE . 7.0 p -108.0 117.73 54.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.637 -177.176 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 124.5 15.69 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.053 1.835 . . . . 0.0 110.572 174.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.611 HG13 ' HG3' ' A' ' 144' ' ' ARG . 11.2 t -55.59 -22.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.286 -176.726 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.51 -46.3 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.496 -174.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.85 -21.69 60.02 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.836 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -78.28 -41.84 32.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 110.75 178.174 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.611 ' HG3' HG13 ' A' ' 140' ' ' VAL . 56.6 mtp180 -62.71 -38.71 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.4 t -58.03 -50.49 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.703 178.446 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 66.1 mmtt -63.27 -36.38 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.314 -176.063 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.21 87.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.399 175.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.31 -37.61 71.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.04 -34.2 75.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.116 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -88.95 -20.42 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.828 -179.267 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.36 29.4 19.62 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.945 -178.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.3 -175.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.769 0.319 . . . . 0.0 110.794 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.705 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -111.84 159.43 18.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.871 176.737 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 140' ' ' VAL . 88.4 t80 -133.7 114.98 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.5 127.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.879 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 27.9 mt-10 -87.55 145.77 26.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.979 0.418 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.5 p -119.8 134.38 55.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.393 -176.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.601 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.2 m -118.9 94.34 4.41 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.324 175.081 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.23 -19.42 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.66 -174.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.89 -27.54 65.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.147 0.499 . . . . 0.0 110.307 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.0 p -114.81 5.51 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 57.28 28.95 15.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.24 -176.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -84.48 119.53 25.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.632 -177.139 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 69.24 7.02 5.99 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.445 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.17 -51.22 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 110.676 -178.585 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -77.04 -24.78 52.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.826 178.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -59.56 -51.8 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.37 -174.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.87 -26.74 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.152 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.49 -55.4 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.86 177.249 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.4 m-85 -64.07 -39.92 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.192 -176.218 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.5 -52.31 64.09 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.32 0.387 . . . . 0.0 111.778 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.2 tp -72.01 -38.3 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.492 . . . . 0.0 110.251 -178.565 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.576 ' SD ' HD11 ' A' ' 64' ' ' ILE . 38.9 mtp -62.57 -29.96 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.442 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 34.4 mmt180 -63.64 -56.31 16.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.371 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.34 -37.04 69.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.118 -175.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 172' ' ' LEU . 77.7 mt -55.83 -32.6 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.772 -176.709 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -59.98 -39.58 86.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.432 -176.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.9 m -66.11 -30.35 70.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.854 -178.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 176' ' ' ILE . 3.0 mptp? -69.08 -42.7 75.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -69.73 -35.46 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.801 -177.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 176.675 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.443 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.8 m . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.323 0.106 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -56.75 -35.28 68.45 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.518 0.199 . . . . 0.0 111.096 178.807 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.58 -47.72 81.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 175.226 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.8 73.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.994 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.524 ' O ' HG13 ' B' ' 402' ' ' ILE . 21.7 mm -57.53 -46.65 86.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.408 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 98.1 mttt -61.34 -39.23 89.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.46 -179.674 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.7 mt-10 -59.92 -42.66 94.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.282 0.563 . . . . 0.0 109.894 176.568 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.573 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 7.6 tp10 -68.59 -39.15 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.216 178.594 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.524 HG13 ' O ' ' B' ' 398' ' ' ILE . 86.7 mt -56.69 -51.37 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.319 178.285 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.537 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 30.2 mmm180 -60.53 -33.3 72.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.253 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.573 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 46.1 ttt180 -65.57 -51.82 56.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.368 177.049 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.436 ' HB2' HD21 ' B' ' 436' ' ' LEU . 13.1 mm100 -70.39 -28.01 64.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -177.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.537 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -60.13 -51.37 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.027 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -67.93 -38.48 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 -179.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 36.4 mt -64.37 -50.81 66.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.822 -179.627 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.625 HD12 HG13 ' B' ' 432' ' ' VAL . 48.9 tp -64.6 -34.53 78.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 110.218 177.108 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.1 -41.34 92.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 176.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.5 t -59.78 -54.44 46.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.1 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.489 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.5 mm? -58.37 -33.49 69.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 111.473 178.604 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.4 m-70 -67.52 -35.42 79.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.002 177.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -79.04 -51.8 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 176.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -59.21 -54.55 45.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -173.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.799 HD23 HG13 ' B' ' 420' ' ' ILE . 26.8 mt -68.81 -25.45 64.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.016 0.436 . . . . 0.0 111.119 -177.452 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 75' ' ' TYR . 6.3 tt0 -61.43 -34.73 75.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.013 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.48 5.85 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.273 179.169 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 174.25 122.14 0.66 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.494 -179.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.799 HG13 HD23 ' B' ' 416' ' ' LEU . 1.2 mp -68.06 128.38 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 123.048 0.539 . . . . 0.0 110.889 179.293 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.39 -23.24 15.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.297 0.57 . . . . 0.0 111.161 178.479 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 7.8 m-20 -147.64 141.56 25.85 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.613 -175.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.507 ' HA ' ' OE2' ' B' ' 426' ' ' GLU . 2.5 pt? -60.23 -27.87 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 110.602 171.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.423 ' HA ' ' OE1' ' B' ' 427' ' ' GLU . 46.2 m -61.93 -31.36 71.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.08 178.464 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 71.9 mmtt -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 109.79 179.475 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.507 ' OE2' ' HA ' ' B' ' 423' ' ' LEU . 26.6 mt-10 -63.95 -45.25 90.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.791 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' B' ' 424' ' ' SER . 33.6 mt-10 -60.51 -46.18 91.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.975 176.296 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.548 ' O ' HG11 ' B' ' 432' ' ' VAL . 1.0 OUTLIER -64.06 -33.51 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.269 178.758 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.489 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.4 OUTLIER -55.11 -51.38 66.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.979 0.419 . . . . 0.0 110.088 178.184 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.786 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 21.2 m95 -66.7 -49.23 66.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.157 177.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' B' ' 434' ' ' ARG . 6.9 tp10 -59.02 -53.2 61.1 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.614 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.625 HG13 HD12 ' B' ' 409' ' ' LEU . 10.4 p -62.14 -34.48 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 0.0 110.258 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.545 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.6 tp60 -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 173.741 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.786 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 1.5 mpp_? -58.72 -39.82 81.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.864 178.013 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' B' ' 432' ' ' VAL . 41.1 mt -65.81 -46.53 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.016 179.167 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.7 -43.81 85.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.681 0.276 . . . . 0.0 110.958 179.358 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.2 t -74.86 -39.2 61.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.226 -175.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.401 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . . . -66.3 -34.94 79.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.395 0.617 . . . . 0.0 109.846 176.47 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 402' ' ' ILE . 34.1 tp -65.82 -38.42 88.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.778 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -57.4 -42.79 82.91 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 110.028 173.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -45.73 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.994 177.133 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.528 ' HE3' ' OE2' ' B' ' 445' ' ' GLU . 13.4 mmmm -61.27 -32.17 71.99 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.408 179.378 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.443 ' CA ' HG22 ' B' ' 398' ' ' ILE . 3.4 tm? -59.61 -51.28 70.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.125 0.488 . . . . 0.0 110.017 176.465 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.31 -1.41 49.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.275 -178.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.528 ' OE2' ' HE3' ' B' ' 442' ' ' LYS . 24.7 tt0 -98.21 -32.64 11.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.066 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.508 -177.658 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.68 8.91 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.313 0.578 . . . . 0.0 111.529 -175.567 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' HE2' ' A' ' 16' ' ' LYS . 52.2 tp -131.59 102.0 5.73 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 178.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -100.21 142.74 31.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.175 0.512 . . . . 0.0 111.017 -175.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HE2' ' HG ' ' A' ' 14' ' ' LEU . 65.1 mmtt -119.78 112.13 18.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.242 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.86 114.78 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.175 0.512 . . . . 0.0 110.227 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 89' ' ' PHE . 58.2 mt -99.12 111.0 27.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.515 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.882 ' HG3' ' HD2' ' A' ' 27' ' ' LYS . 56.4 tpp -82.5 104.09 12.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 -177.031 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -107.52 176.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -175.222 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.22 -179.43 33.0 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.226 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 p -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.447 0.641 . . . . 0.0 110.534 178.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.737 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -144.23 -87.39 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 174.22 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.3 42.65 0.18 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.744 175.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.5 t -40.76 -65.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 124.537 0.786 . . . . 0.0 112.212 -173.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 11.61 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.326 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 1.057 ' HB3' HG22 ' A' ' 92' ' ' VAL . 53.2 pttt -71.58 -39.15 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.274 -174.687 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' HD23 ' A' ' 32' ' ' LEU . 16.5 m -72.01 -23.64 61.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.19 0.519 . . . . 0.0 110.219 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.86 -41.31 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.589 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' HG3' ' A' ' 35' ' ' MET . 19.9 p -60.93 -43.73 98.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.73 -176.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 28' ' ' SER . 4.1 mm? -59.11 -28.71 66.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.771 HE22 ' HA ' ' A' ' 39' ' ' PHE . 52.3 mm-40 -66.97 -44.89 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.397 0.617 . . . . 0.0 109.721 178.093 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.28 -36.36 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 31' ' ' THR . 92.3 mtp -69.0 -53.09 22.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.161 -177.755 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 77.2 m-85 -103.02 -83.9 0.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.454 177.518 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 15.6 t70 172.31 -36.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.879 0.737 . . . . 0.0 110.008 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -96.62 165.63 12.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 0.0 111.93 -171.117 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.771 ' HA ' HE22 ' A' ' 33' ' ' GLN . 73.9 t80 -76.23 127.19 32.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.773 -176.401 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 43' ' ' TYR . 7.7 p -77.08 133.62 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.386 -178.872 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -119.48 -36.52 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.175 177.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -132.48 94.93 3.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.208 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' HB3' HG23 ' A' ' 40' ' ' VAL . 60.3 t80 -170.61 100.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.181 174.713 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.623 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.5 mm-40 -110.38 -41.99 0.11 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.147 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.0 Cg_endo -64.47 84.49 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.56 1.507 . . . . 0.0 113.15 178.459 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.697 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 2.7 p -105.84 17.53 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 176.055 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HD2' ' CE2' ' A' ' 75' ' ' TYR . 31.8 mtmt -64.97 -57.84 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.979 -170.084 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 21.35 7.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.279 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.15 124.89 46.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.247 -174.593 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 t -131.84 145.92 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.757 178.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -122.77 130.48 52.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -74.94 104.68 5.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.445 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 35' ' ' MET . 50.3 tptt -104.78 126.14 51.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -103.58 129.31 50.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.958 172.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 m -133.24 144.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.032 174.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -120.13 132.44 69.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.151 0.501 . . . . 0.0 109.656 176.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.647 ' HB3' HH21 ' A' ' 174' ' ' ARG . 2.6 tt -129.62 109.24 10.84 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.21 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.81 -16.87 0.17 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.532 1.133 . . . . 0.0 113.343 174.219 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.22 -71.77 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 119.019 -1.562 . . . . 0.0 115.204 -178.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.1 pt-20 -89.36 141.48 28.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 117.462 0.631 . . . . 0.0 112.074 -168.654 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.18 109.45 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.865 174.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.1 t -106.92 154.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -171.033 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.75 150.87 32.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.256 178.327 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 HD13 ' SD ' ' A' ' 173' ' ' MET . 12.7 tt -149.25 131.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.113 -177.234 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.444 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 1.6 m-20 -99.69 143.65 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.172 175.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.92 113.56 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 -178.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.22 104.36 12.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.199 178.158 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.697 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 20.0 t70 -88.13 96.01 10.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.472 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 p -62.83 135.35 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -175.386 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.96 125.39 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 176.515 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.737 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -87.8 58.39 4.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.314 -178.853 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.09 172.19 15.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -80.49 -32.25 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -170.717 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.85 -64.09 0.93 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.263 0.554 . . . . 0.0 111.668 -176.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.687 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 42.6 m-85 -79.95 57.65 2.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -174.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . . . -59.42 -33.62 71.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.385 175.435 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.595 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -57.87 -41.92 83.47 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.948 178.242 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.607 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 46.0 mt -73.88 -17.29 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.818 -176.428 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 76' ' ' ALA . 85.0 mtm180 -91.96 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.791 177.463 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.63 -55.11 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.216 0.531 . . . . 0.0 111.91 -175.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.629 HD21 ' HB3' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -68.56 -23.42 64.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.847 -168.241 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 11.4 m-85 -89.98 -13.16 36.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.081 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB2' HG23 ' A' ' 114' ' ' VAL . 12.3 m-30 -77.52 80.21 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.29 0.566 . . . . 0.0 111.046 -178.749 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.537 ' NH2' ' HG ' ' B' ' 423' ' ' LEU . 1.4 mmt85 -135.12 -80.85 0.43 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 m -80.52 32.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 111.118 -177.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 84' ' ' ARG . . . -100.98 126.34 8.89 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.746 179.143 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.422 ' OE2' ' HD3' ' A' ' 180' ' ' LYS . 6.1 mm-40 -98.6 -63.81 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 179.353 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.43 119.26 5.32 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.735 -174.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HB2' HD23 ' A' ' 123' ' ' LEU . 97.1 m-85 -115.34 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.908 0.385 . . . . 0.0 110.013 177.525 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.3 mt -89.79 118.95 29.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.183 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.82 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 1.057 HG22 ' HB3' ' A' ' 27' ' ' LYS . 34.9 m -108.22 143.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.269 0.557 . . . . 0.0 111.886 -175.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.66 152.42 28.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.544 -0.909 . . . . 0.0 108.544 174.17 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.61 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 p -92.6 148.98 21.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.194 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.505 HG12 ' HA ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.23 8.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.311 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 135' ' ' ARG . 34.2 p -108.32 -31.42 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 174.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.61 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 24.9 mm-40 -92.78 91.98 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.191 -178.004 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -69.91 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 -178.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.24 -37.21 86.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.119 0.485 . . . . 0.0 110.62 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.47 -29.46 70.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.201 175.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -74.13 -31.49 62.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.567 178.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -64.5 -39.52 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.568 177.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.09 -15.19 61.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.593 -173.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.66 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.7 p -58.71 -30.52 67.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 111.522 -177.377 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.72 74.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 178.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -69.8 -30.89 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -178.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.66 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 23.0 m-85 -57.3 -43.34 83.14 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.55 -54.17 50.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.084 0.469 . . . . 0.0 110.323 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.29 -33.57 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.283 -178.758 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -71.43 -33.74 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.378 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.7 mt -71.54 -45.07 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -68.57 -20.45 64.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 178.417 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -59.99 -33.74 72.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.529 177.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.573 HG23 ' HB2' ' A' ' 83' ' ' PHE . 19.1 m -112.65 -20.15 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.522 -177.785 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 114' ' ' VAL . 14.0 mmmt -106.33 -98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 -178.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.7 -56.88 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.899 0.88 . . . . 0.0 113.311 178.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -83.34 53.92 2.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.005 0.431 . . . . 0.0 111.481 -173.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.2 -169.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.822 -177.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -68.41 0.4 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 171.921 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -154.87 155.66 34.76 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.451 HD12 HG22 ' A' ' 111' ' ' ILE . 61.8 mt -105.49 95.09 9.38 Favored Pre-proline 0 C--N 1.313 -0.984 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.498 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.627 ' HB2' HD11 ' A' ' 172' ' ' LEU . 61.4 Cg_endo -71.99 106.55 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.007 2.471 . . . . 0.0 111.848 -176.191 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 89' ' ' PHE . 94.4 mt -102.23 155.11 18.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.409 -178.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.64 HD11 ' HG3' ' A' ' 153' ' ' GLN . 4.0 tp -150.32 118.35 6.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.711 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.7 t -84.11 115.61 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.978 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.841 ' HB ' HG13 ' A' ' 92' ' ' VAL . 46.8 t -103.69 109.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.609 -175.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.73 99.05 2.16 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 7.5 p30 -100.33 163.71 12.26 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.742 -0.269 . . . . 0.0 110.837 -176.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.606 ' HE2' HD22 ' A' ' 132' ' ' LEU . 19.1 tptm 69.47 17.29 8.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.689 178.605 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 p -63.44 -8.7 9.82 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.195 0.522 . . . . 0.0 111.658 -177.07 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.63 -13.46 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.623 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.704 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.8 mt -67.17 -41.69 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.715 -177.655 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 61.29 -76.87 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.396 0.679 . . . . 0.0 112.467 176.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.35 -24.67 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 111.375 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.704 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 69.3 mtt180 -86.63 -1.69 57.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.505 ' HA ' HG12 ' A' ' 95' ' ' ILE . 37.3 ttp180 -58.14 113.67 2.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 111.112 -178.229 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -93.23 -28.75 16.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.9 116.69 53.47 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.313 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.14 128.61 26.99 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.163 1.909 . . . . 0.0 111.434 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -54.68 -22.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.161 178.09 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.58 -53.88 52.47 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.483 179.255 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.73 -23.68 61.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.93 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 178.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.4 mtp180 -68.12 -33.26 74.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.087 177.614 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.5 t -55.65 -54.58 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.622 178.151 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 29.3 mmtp -60.27 -37.54 80.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.771 -177.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.19 89.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.989 0.423 . . . . 0.0 110.513 175.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -69.59 -37.47 76.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 178.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 145' ' ' SER . 48.1 mt-10 -65.14 -33.77 76.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -90.45 -29.5 17.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.065 -178.255 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 38.03 3.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.277 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.95 175.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.64 ' HG3' HD11 ' A' ' 124' ' ' LEU . 11.3 pt20 -96.98 161.97 13.6 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.831 175.366 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' HE2' HG22 ' A' ' 140' ' ' VAL . 84.3 t80 -130.71 121.31 25.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.645 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.09 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 -177.358 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.46 126.93 34.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.038 176.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.7 p -117.02 130.86 56.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.129 0.49 . . . . 0.0 111.166 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.1 m -123.75 104.15 8.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.199 179.039 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.1 -12.63 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.978 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -72.89 -31.28 64.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.108 179.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 p -113.35 3.3 15.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.258 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 62.82 27.89 16.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -94.64 127.57 40.69 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.11 -173.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 68.38 9.01 7.0 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.306 173.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.03 -49.32 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.041 0.448 . . . . 0.0 110.846 -177.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.3 -22.95 51.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.228 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.21 -48.91 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.837 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.34 -26.9 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.296 . . . . 0.0 111.725 -177.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -75.71 -55.76 5.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.306 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 57' ' ' LEU . 38.4 m-85 -62.47 -40.69 97.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.9 -174.442 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -56.01 -52.44 64.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.905 0.383 . . . . 0.0 110.806 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 122' ' ' PRO . 28.3 tp -71.75 -41.24 68.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.153 -175.694 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 64' ' ' ILE . 43.0 mtp -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.395 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.647 HH21 ' HB3' ' A' ' 57' ' ' LEU . 13.9 mmt85 -75.68 -39.59 57.27 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.534 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.658 0.266 . . . . 0.0 110.658 178.049 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.651 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.2 mt -55.87 -45.38 79.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.715 178.035 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 181' ' ' MET . 55.7 mtm180 -57.69 -49.75 75.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.219 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -62.87 -35.29 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.192 -178.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.84 -32.29 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.662 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 31.4 mmmt -69.35 -41.39 76.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 59.4 mtt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.854 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.444 ' O ' HG12 ' B' ' 398' ' ' ILE . 21.2 m . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.95 -27.55 66.89 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -178.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.22 -56.12 21.41 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.291 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.59 90.65 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.905 178.127 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.535 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -59.49 -53.95 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.416 0.15 . . . . 0.0 111.122 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.39 -45.62 87.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.376 -177.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.18 -39.4 90.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.691 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 27.3 tt0 -71.41 -41.84 69.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.046 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.5 mt -53.43 -52.47 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 O-C-N 123.037 0.211 . . . . 0.0 110.541 176.127 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -58.66 -36.33 73.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.051 -177.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 62.5 ttp180 -67.51 -48.68 66.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.466 177.219 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 15.4 mm100 -67.39 -35.98 80.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.441 -175.409 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' B' ' 436' ' ' LEU . 42.7 mt-10 -61.27 -47.69 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.185 175.885 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -64.38 -41.9 96.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.028 -179.35 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.7 mt -61.19 -51.94 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.634 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.627 HD23 HG11 ' B' ' 432' ' ' VAL . 3.3 tm? -66.34 -35.27 79.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.828 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.608 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 60.5 t30 -66.72 -54.49 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 178.775 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 40.3 t -59.15 -45.99 89.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.524 -177.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 20.6 mt -52.41 -51.04 61.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.136 178.538 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.495 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 4.6 p80 -70.09 -30.5 67.73 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.52 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 19.7 mtm180 -71.56 -52.88 15.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.482 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.47 -46.56 89.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.906 -175.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.629 ' HB3' HD21 ' A' ' 81' ' ' ASN . 66.2 mt -63.31 -25.93 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.238 -173.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 64.7 mt-30 -59.99 -21.76 61.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.49 0.186 . . . . 0.0 111.307 179.392 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -7.5 44.75 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.204 -0.522 . . . . 0.0 113.014 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.33 9.66 31.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.875 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 56.8 mt -108.35 124.64 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.29 149.91 37.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.495 0.664 . . . . 0.0 110.967 175.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.555 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.6 t70 -148.75 161.0 42.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.498 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.537 ' HG ' ' NH2' ' A' ' 84' ' ' ARG . 9.2 mp -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.752 0.31 . . . . 0.0 111.065 -177.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 t -64.13 -37.42 87.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.555 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 33.6 mmtt -69.08 -49.69 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.617 -177.864 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 28.2 mt-10 -59.56 -46.8 87.86 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.329 -175.475 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.86 -35.29 69.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.1 -176.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.632 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.2 mmt180 -65.92 -37.37 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.313 174.781 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.616 HD12 HD12 ' B' ' 416' ' ' LEU . 21.2 mt -55.37 -57.37 12.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.249 0.343 . . . . 0.0 111.269 -179.046 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -64.55 -35.99 82.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.022 179.136 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.611 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 37.4 tt0 -65.07 -55.41 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.677 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 428' ' ' ARG . 9.0 p -64.77 -31.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.335 . . . . 0.0 110.459 -179.252 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -54.91 -50.76 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.611 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.0 mtp-105 -61.41 -38.72 88.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.653 0.739 . . . . 0.0 109.799 178.614 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' B' ' 432' ' ' VAL . 63.4 mt -66.1 -47.29 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.832 -177.599 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.5 HD23 ' HG2' ' B' ' 406' ' ' GLU . 2.8 tm? -58.62 -44.45 89.97 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.268 -179.796 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.5 t -68.6 -34.47 75.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.384 -176.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.97 -38.56 79.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.111 174.899 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.601 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.4 mm? -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.131 177.069 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.484 ' HZ3' HD12 ' B' ' 436' ' ' LEU . 35.5 mmtm -63.27 -38.05 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.402 177.003 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -44.62 90.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.3 mmmm -59.11 -33.62 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.431 178.349 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.59 ' HB2' HD13 ' B' ' 402' ' ' ILE . 49.5 tp -64.96 -43.88 91.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -82.78 -4.66 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 110.858 177.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.29 -34.67 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.207 179.639 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.731 -179.588 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.574 HD23 ' HG2' ' A' ' 177' ' ' ARG . 67.5 mt . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.71 0.29 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -77.14 10.66 2.26 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.346 0.593 . . . . 0.0 111.7 -177.702 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -148.06 132.63 17.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.358 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.542 ' HD1' HG21 ' A' ' 176' ' ' ILE . 73.6 m-70 -131.03 145.5 52.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.271 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.761 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -120.81 115.33 23.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.143 -178.611 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.53 141.47 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 111.695 -179.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.24 129.1 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 177.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.468 ' SD ' HD13 ' A' ' 90' ' ' LEU . 84.6 mmm -93.02 103.4 15.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.734 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.53 157.23 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.764 0.316 . . . . 0.0 110.912 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.39 145.45 4.18 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.709 -178.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 m -60.33 124.37 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.742 0.417 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' HA3' ' A' ' 71' ' ' GLY . . . 60.53 -105.81 0.9 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -173.701 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.767 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -156.58 56.28 0.39 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.523 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' O ' ' HD3' ' A' ' 129' ' ' LYS . 61.9 t -39.3 -60.41 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.607 0.763 . . . . 0.0 112.942 -176.232 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.69 62.71 0.27 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.918 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.767 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.5 pttt -125.1 -42.05 2.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.729 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -64.37 -28.09 69.46 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.52 -46.74 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD13 HD22 ' A' ' 128' ' ' ASN . 9.2 mp -66.54 -33.74 76.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.523 -174.225 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.473 HG22 HG22 ' A' ' 66' ' ' ILE . 76.8 p -64.81 -46.03 83.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.701 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.08 -36.95 85.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 97.1 mt-30 -69.89 -27.55 64.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.25 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.62 -33.95 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.816 0.341 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.49 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 4.6 mpp? -95.09 -52.78 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.53 -15.63 17.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -173.201 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 38.7 t70 72.4 7.26 5.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.59 0.709 . . . . 0.0 111.142 177.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.35 146.58 28.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -77.95 144.65 36.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.19 109.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.786 0.803 . . . . 0.0 111.499 -176.654 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -104.61 -39.23 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.062 173.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -151.08 83.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.673 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -162.38 97.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.86 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 mm-40 -113.54 -44.66 0.07 OUTLIER Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.607 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.86 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.6 Cg_endo -42.24 95.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 123.537 2.825 . . . . 0.0 113.753 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.02 82.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.687 175.025 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' HG21 ' A' ' 78' ' ' ILE . 30.7 mmmt -85.95 -60.64 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.654 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.88 5.43 6.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.117 168.876 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.61 108.05 0.16 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.128 -166.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 4.2 m -98.54 121.21 40.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.552 175.717 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.404 ' HD2' ' HG2' ' A' ' 35' ' ' MET . 14.3 t80 -115.29 136.85 52.67 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 20.3 mtm180 -99.59 124.92 45.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 -178.422 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.49 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 53.1 tptt -98.65 127.42 44.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.285 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.17 117.08 23.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.103 0.477 . . . . 0.0 110.866 175.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.27 175.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.9 p -143.86 124.24 9.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.143 172.474 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.0 mt -113.69 107.58 15.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.13 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.7 t70 76.57 -37.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.885 174.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.98 -39.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.105 -1.521 . . . . 0.0 114.516 -178.206 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.2 pt-20 -88.07 133.88 33.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 117.687 0.744 . . . . 0.0 110.272 -177.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -75.1 118.43 18.03 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 13' ' ' ALA . 1.9 t -106.45 137.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.361 -168.453 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -114.28 152.55 31.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.995 174.023 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 11.8 tt -141.7 126.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.119 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.761 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 6.7 m-20 -86.87 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.641 ' O ' ' HA ' ' A' ' 50' ' ' SER . 22.1 mm -107.74 112.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -98.62 105.01 17.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -92.04 119.73 32.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.4 p -95.43 152.78 18.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 0.0 112.349 -172.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.81 111.51 20.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 170.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 23' ' ' GLY . . . -79.94 69.34 3.09 Favored Glycine 0 C--O 1.228 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.344 -175.115 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -151.5 -179.02 7.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.778 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -93.9 -9.13 38.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.754 0.311 . . . . 0.0 111.548 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 72' ' ' LEU . 4.6 m-20 -71.88 -66.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.469 -177.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.433 ' HB3' HG13 ' A' ' 78' ' ' ILE . 49.1 m-85 -79.04 66.43 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.882 -175.586 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.46 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 111.65 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.14 -6.08 40.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.556 -177.312 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.443 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 10.4 mt -102.27 -32.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.044 0.449 . . . . 0.0 110.806 179.383 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.26 -65.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.832 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.5 -46.45 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.352 0.596 . . . . 0.0 110.969 -171.197 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.611 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.1 m-20 -72.35 -16.86 61.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.421 -174.096 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.8 OUTLIER -86.76 -6.96 58.67 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.283 -0.26 . . . . 0.0 111.602 177.761 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.35 16.03 0.39 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.3 -73.32 0.43 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 178.444 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.7 m -80.49 3.92 19.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.02 117.53 6.45 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.072 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 41.4 tt0 -87.87 -73.83 0.47 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.431 0.292 . . . . 0.0 111.011 -174.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.568 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.78 151.95 20.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.184 -179.611 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.08 127.16 39.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.996 0.427 . . . . 0.0 111.381 -176.174 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 124' ' ' LEU . 88.1 mt -107.3 110.84 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.172 176.229 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.34 106.05 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.097 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 113.16 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.332 . . . . 0.0 110.749 -178.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.95 173.74 10.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.718 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 46.6 t -113.16 142.88 45.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 -179.629 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.21 9.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.247 0.546 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.741 HG22 HD23 ' A' ' 132' ' ' LEU . 23.3 p -132.59 -46.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.669 177.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.718 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 17.3 mt-10 -69.87 90.67 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.627 175.117 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -63.48 -27.15 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.987 -170.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.51 -42.25 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 82.5 p -70.93 -29.72 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -66.47 -43.38 85.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 m -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.176 0.513 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.42 -15.04 62.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.423 -176.545 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.6 p -55.47 -41.89 73.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.688 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.68 98.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.67 -46.28 90.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.24 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.4 m-85 -57.04 -51.42 69.33 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.388 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -58.21 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -177.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.94 -31.83 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.988 -175.141 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.1 -32.13 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 178.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.7 mt -67.96 -47.16 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.484 176.578 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.63 -13.0 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.595 -179.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -73.66 -36.24 65.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.959 0.409 . . . . 0.0 110.318 176.524 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.448 HG22 ' HG3' ' A' ' 115' ' ' LYS . 34.9 m -103.58 -24.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.534 -177.797 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG3' HG22 ' A' ' 114' ' ' VAL . 56.1 mtpt -117.42 110.4 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.397 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.08 -31.12 3.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.344 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -130.13 25.77 5.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.142 0.496 . . . . 0.0 110.355 -175.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.24 -15.67 35.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.009 -172.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.3 t70 73.18 -52.37 0.71 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.672 0.789 . . . . 0.0 111.517 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 179' ' ' LYS . 11.9 mptt -80.58 80.95 6.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -176.703 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.433 HG12 ' HE2' ' A' ' 115' ' ' LYS . 21.3 mt -130.51 85.37 56.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 170.342 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.568 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 31.0 Cg_endo -97.52 120.83 0.16 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.639 2.892 . . . . 0.0 112.272 175.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 9.2 mp -108.07 130.1 55.11 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.103 0.477 . . . . 0.0 110.59 179.073 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.601 HD13 ' CG ' ' A' ' 153' ' ' GLN . 4.4 tp -124.4 118.57 26.98 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.834 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.421 ' N ' HD11 ' A' ' 124' ' ' LEU . 21.1 t -82.21 116.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.871 -177.269 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.62 109.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.629 -175.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.22 101.64 2.75 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.131 175.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.45 HD22 HD13 ' A' ' 30' ' ' LEU . 6.1 t-20 -110.45 -174.9 2.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -177.814 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 25' ' ' VAL . 14.3 mmmm 66.0 29.61 10.06 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.132 0.491 . . . . 0.0 110.144 179.806 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -71.09 16.73 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.354 -177.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 129' ' ' LYS . 24.3 t70 -65.09 -38.45 90.76 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.471 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 96' ' ' THR . 6.2 mp -83.6 58.58 4.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.258 175.133 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -72.27 -39.06 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.822 0.344 . . . . 0.0 110.161 -178.627 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -79.64 -30.24 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 110.062 177.339 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.7 mtt180 -94.5 23.56 5.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.983 -175.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.0 112.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.698 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 54.3 tp60 -86.22 -35.48 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.071 -174.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 95' ' ' ILE . 14.8 p -110.58 124.22 33.7 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.963 177.504 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 36.6 Cg_exo -60.66 126.21 19.24 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.689 2.259 . . . . 0.0 112.873 -177.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -22.99 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.819 175.817 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.88 -50.77 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.758 177.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.04 -23.66 30.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.076 -179.617 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.3 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.069 0.461 . . . . 0.0 110.454 176.5 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 20.8 mtp180 -64.56 -39.45 93.77 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.177 175.63 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.3 t -55.05 -42.11 72.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.352 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.1 mmtt -68.86 -39.29 79.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.477 179.314 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.69 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.37 0.605 . . . . 0.0 110.231 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.35 -31.09 70.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.322 179.115 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' A' ' 146' ' ' LYS . 33.9 tt0 -64.12 -46.27 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.977 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -79.27 -13.92 59.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.087 -176.054 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.35 32.39 16.67 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 33.8 m -117.83 -178.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.748 0.309 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.601 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -102.46 156.15 17.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 177.937 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.449 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 93.2 t80 -126.31 119.65 27.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 177.712 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 124' ' ' LEU . 87.5 t -125.74 124.86 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -86.02 132.18 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.78 175.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 29.2 p -127.13 130.13 49.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 110.999 -176.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.512 ' HB2' ' HB1' ' A' ' 163' ' ' ALA . 15.0 m -110.73 101.63 10.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.582 178.14 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -173.534 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -76.08 -6.58 51.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.908 0.385 . . . . 0.0 111.248 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.0 p -130.69 -1.4 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.43 . . . . 0.0 110.182 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 66.31 21.58 10.96 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.796 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 158' ' ' SER . . . -76.54 118.89 19.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.237 -175.689 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 66.69 9.37 6.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.191 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.3 -41.97 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -76.27 -37.65 57.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.121 178.808 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -54.98 -49.5 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.353 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -34.89 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.256 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -75.6 -44.64 41.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 178.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.0 m-85 -69.64 -40.21 76.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.698 -178.118 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.83 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 110.353 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.6 tp -62.54 -43.87 97.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.531 ' HA ' HD12 ' A' ' 176' ' ' ILE . 9.7 ptp -66.61 -29.12 69.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.527 -178.22 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 17.3 mmt180 -66.6 -47.61 72.14 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.622 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.454 ' HG3' ' NE2' ' A' ' 153' ' ' GLN . 5.4 mm-40 -64.48 -30.17 71.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.645 175.336 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.705 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 25.1 mt -56.32 -49.35 77.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 168.863 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.574 ' HG2' HD23 ' A' ' 12' ' ' LEU . 37.5 mtp85 -58.09 -40.19 80.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 175.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.417 ' HG1' ' HA ' ' A' ' 175' ' ' GLU . 12.2 m -55.79 -39.21 70.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 178.296 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.533 ' HB3' ' HE3' ' A' ' 120' ' ' LYS . 13.6 mptt -73.45 -36.65 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.668 0.27 . . . . 0.0 111.307 178.179 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 18.2 mmmt -73.36 -34.68 65.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.434 -177.715 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.465 179.867 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.426 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.0 m . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.787 0.327 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.71 -27.35 68.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.336 -178.618 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.71 24.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.437 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.09 -35.44 90.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.911 -179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.522 ' O ' HG13 ' B' ' 402' ' ' ILE . 28.9 mm -58.48 -47.55 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.144 0.497 . . . . 0.0 110.096 177.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -58.55 -40.21 82.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.431 -179.39 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.46 -43.06 97.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.947 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' B' ' 439' ' ' LEU . 30.2 mt-10 -81.08 -27.48 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.653 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.6 mt -54.73 -53.26 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 170.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -63.31 -30.76 71.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 9.7 ttm-85 -62.27 -50.71 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.288 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' B' ' 436' ' ' LEU . 75.6 mm-40 -70.65 -31.86 68.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.954 -176.676 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.8 mt-10 -60.01 -44.31 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.425 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -69.22 -44.14 72.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.65 177.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 57.3 mt -59.89 -51.7 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.024 -178.046 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.23 -35.07 79.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.707 0.289 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.5 -43.57 98.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 109.836 176.133 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -60.07 -51.0 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.438 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.506 ' O ' HD11 ' B' ' 416' ' ' LEU . 4.2 mm? -55.42 -41.95 73.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.697 0.284 . . . . 0.0 111.454 175.577 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.78 -48.88 72.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.981 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.54 -39.31 91.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.662 0.268 . . . . 0.0 111.369 -177.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.88 -48.72 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.742 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 9.2 mp -75.07 -40.36 60.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.284 -178.738 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -69.97 -9.52 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 -179.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -84.92 -8.02 83.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 172.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.99 -0.21 24.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.897 176.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.742 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 55.4 mt -112.58 115.74 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.552 -177.639 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 28.9 t70 -150.19 171.96 16.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.504 -176.121 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.16 -32.57 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.9 0.381 . . . . 0.0 110.578 178.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 32.8 t -61.5 -31.6 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.334 0.588 . . . . 0.0 109.715 177.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.726 ' HB3' HD13 ' B' ' 416' ' ' LEU . 59.3 mmtt -72.1 -52.9 14.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.778 -176.24 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.9 -42.99 99.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.472 -174.498 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 41.5 mt-10 -63.94 -43.38 96.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.426 177.498 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' B' ' 431' ' ' GLU . 16.6 mmt180 -64.23 -35.92 82.41 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.311 177.701 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 28.6 mt -55.82 -53.56 55.27 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.289 -179.356 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.456 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 76.7 m95 -66.38 -41.96 88.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.964 -177.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.499 ' O ' HG13 ' B' ' 435' ' ' ILE . 10.2 pt-20 -72.69 -41.58 65.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.673 -177.159 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' B' ' 435' ' ' ILE . 6.8 p -66.3 -35.08 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.424 0.63 . . . . 0.0 110.328 -178.233 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -60.69 -42.35 96.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.309 175.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -57.41 -37.21 72.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.171 176.671 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' B' ' 432' ' ' VAL . 7.5 mt -68.37 -49.01 70.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.855 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' B' ' 405' ' ' GLN . 20.8 tp -58.73 -43.62 90.26 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 177.07 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.405 HG23 ' HA ' ' B' ' 434' ' ' ARG . 7.1 t -69.2 -32.98 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -178.144 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.625 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.08 -40.59 82.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.853 174.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.653 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -57.04 -45.48 83.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 177.512 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.7 -32.92 74.56 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.337 0.589 . . . . 0.0 110.262 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.14 -46.91 60.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.7 mmmt -58.47 -39.69 80.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.037 178.395 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.465 ' CA ' HG23 ' B' ' 398' ' ' ILE . 3.2 tm? -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 -179.605 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -82.65 -2.63 54.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.436 -178.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.46 -51.75 4.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.448 176.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.477 -175.113 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.5 5.76 37.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 176.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 tp -112.09 130.71 55.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.339 178.063 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.456 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 71.9 m-70 -133.25 139.06 46.74 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.862 -173.898 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -114.26 114.52 26.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.857 -178.147 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 58.5 t -131.91 128.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -178.384 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.438 HD12 ' CE2' ' A' ' 89' ' ' PHE . 42.3 mt -110.21 134.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 110.332 175.781 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.448 ' HG3' ' CG2' ' A' ' 31' ' ' THR . 94.9 mmm -91.19 120.11 31.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.53 177.373 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 91' ' ' LEU . 30.9 m -94.77 170.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.583 -173.841 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' HA3' ' HG2' ' A' ' 27' ' ' LYS . . . 160.06 -177.6 36.46 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.162 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -124.37 -69.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.218 0.532 . . . . 0.0 109.609 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.94 -108.88 1.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.242 176.285 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.89 63.64 2.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.5 -178.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.544 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 93.0 t -84.46 -16.09 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.717 0.77 . . . . 0.0 109.804 176.523 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' HA3' ' NZ ' ' A' ' 129' ' ' LYS . . . 92.15 13.8 57.0 Favored Glycine 0 C--N 1.322 -0.198 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.327 -177.571 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.07 -8.1 54.22 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.368 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -100.59 -6.0 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 -177.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -73.19 -50.57 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 111.045 177.419 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD21 HG11 ' A' ' 165' ' ' VAL . 96.2 mt -63.79 -32.3 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.551 -171.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 19' ' ' MET . 8.2 p -63.77 -55.3 24.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 -177.675 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -35.96 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 179.48 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 86.3 mt-30 -65.53 -52.32 53.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.37 -179.397 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.37 -35.45 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.54 -176.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtm -75.0 -48.58 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.55 -4.47 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.34 33.76 22.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 36.6 tt0 -144.22 151.43 39.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 -179.011 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -75.03 115.5 14.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 176.809 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.12 114.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.267 0.556 . . . . 0.0 111.09 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -86.16 -59.88 2.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.357 174.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -124.69 129.85 51.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -174.84 89.3 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.9 mt-10 -75.88 -53.48 2.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.994 -171.594 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.38 124.19 12.96 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.544 1.496 . . . . 0.0 111.82 177.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.528 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -149.82 39.42 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 171.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.525 ' HG2' ' HB1' ' A' ' 70' ' ' ALA . 50.5 mtmt -85.48 -46.91 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.353 -177.401 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.63 7.9 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.684 0.754 . . . . 0.0 109.238 176.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.4 m-20 -79.43 80.58 5.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.333 -176.129 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.402 ' OG ' HD12 ' A' ' 67' ' ' LEU . 50.2 m -125.35 123.66 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' HE1' ' HG3' ' B' ' 440' ' ' LYS . 79.5 m-85 -118.61 149.15 41.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -174.412 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HG3' HG23 ' B' ' 437' ' ' THR . 43.4 mtp180 -92.24 125.77 37.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.849 -178.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -98.76 126.79 44.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.793 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -95.66 124.16 39.55 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.225 174.823 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.22 144.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.889 175.478 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 60' ' ' GLU . 4.8 p -122.06 115.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.562 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -106.79 99.81 9.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.583 0.706 . . . . 0.0 111.085 -177.866 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 57.9 43.4 21.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.713 -1.13 . . . . 0.0 112.516 177.718 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.08 -55.05 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.798 -1.192 . . . . 0.0 115.119 171.169 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' C ' HG21 ' A' ' 56' ' ' VAL . 8.8 pt-20 -88.62 131.2 35.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.413 0.607 . . . . 0.0 111.342 -171.36 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.92 111.35 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.167 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.43 143.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.072 -172.881 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' HB3' HH21 ' A' ' 52' ' ' ARG . 8.2 mm100 -113.5 117.62 32.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.726 -172.49 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 15.1 tt -111.28 126.3 68.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 0.0 110.28 175.787 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -110.46 110.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.21 151.6 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-O 121.343 0.592 . . . . 0.0 112.033 -175.692 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ASP . 19.9 tp -119.77 132.19 55.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.78 174.678 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t0 -98.92 -176.2 3.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 172.311 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -153.32 148.96 27.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.915 -0.491 . . . . 0.0 111.285 -174.443 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.525 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.36 140.76 40.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.513 171.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.01 67.49 3.59 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.928 -177.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.9 OUTLIER -155.65 169.89 23.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.508 -177.351 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -100.66 -2.9 31.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.351 0.596 . . . . 0.0 109.707 178.548 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' HD12 ' A' ' 72' ' ' LEU . 5.0 m-20 -63.01 -64.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.643 -178.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.52 ' H ' HD12 ' A' ' 72' ' ' LEU . 73.8 m-85 -80.58 72.27 7.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.674 -175.206 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.56 -24.07 67.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.837 176.354 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.87 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.06 -18.83 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.564 -179.16 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 47' ' ' LYS . 64.6 mt -92.84 -36.59 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 -178.522 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -85.52 -63.94 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.828 -178.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.83 -55.96 19.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.141 -172.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.87 HD21 ' HA ' ' A' ' 77' ' ' ALA . 57.1 m-80 -65.8 -35.43 80.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.277 -172.156 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.607 ' OH ' HD13 ' B' ' 409' ' ' LEU . 22.2 m-85 -73.8 -31.08 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.197 -0.314 . . . . 0.0 111.664 -179.797 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.3 m-30 -63.37 -24.64 67.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.904 -177.492 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HG2' ' HB ' ' A' ' 114' ' ' VAL . 20.3 mtp-105 -68.01 -49.56 60.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 -178.128 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.415 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 73.2 m -85.85 21.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 175.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.39 126.1 8.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.356 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 16' ' ' LYS . 45.2 mt-10 -86.14 -74.06 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.63 0.252 . . . . 0.0 111.363 -178.036 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.94 151.45 19.5 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.398 -177.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 18' ' ' ILE . 88.9 m-85 -134.62 133.15 39.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.41 . . . . 0.0 111.24 -178.125 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 124' ' ' LEU . 65.2 mt -96.03 113.9 25.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 171.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 20' ' ' VAL . 28.1 tp -89.76 106.02 18.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.468 -176.212 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.874 HG12 ' HB ' ' A' ' 126' ' ' VAL . 21.3 m -119.16 142.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 111.412 -175.293 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.544 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 31.1 p90 -153.51 156.56 38.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.178 177.007 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -88.93 129.78 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.389 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.554 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.37 1.0 2.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.523 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.477 HG21 HD21 ' A' ' 132' ' ' LEU . 23.7 p -85.93 -40.68 15.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.278 0.561 . . . . 0.0 109.591 174.494 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.92 104.42 16.23 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.635 -179.507 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.298 -175.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.13 -28.75 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 -177.463 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.44 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 17.9 m -64.93 -25.85 68.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 178.393 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -74.15 -34.51 63.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.273 178.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -28.38 64.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.556 0.693 . . . . 0.0 109.941 177.265 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.97 60.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.042 -176.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.469 ' HB ' ' HH2' ' A' ' 150' ' ' TRP . 41.7 p -54.2 -45.07 72.1 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.977 0.418 . . . . 0.0 111.232 -179.548 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.03 94.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 176.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.772 179.145 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 111' ' ' ILE . 25.2 m-85 -58.01 -50.95 71.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.416 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' O ' ' HB ' ' A' ' 111' ' ' ILE . 57.0 ttt180 -62.5 -46.57 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.035 -177.15 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.0 -35.24 80.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -65.64 -32.24 73.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.285 0.564 . . . . 0.0 109.922 177.321 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.62 HG23 ' HZ3' ' A' ' 115' ' ' LYS . 90.7 mt -65.3 -40.11 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.153 177.746 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.18 -29.7 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 177.242 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -59.47 -31.12 69.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.728 ' HB ' ' HG2' ' A' ' 84' ' ' ARG . 31.9 m -100.06 2.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.648 -179.317 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.874 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.2 mtmm -143.44 -91.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.13 -47.09 0.62 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.927 0.891 . . . . 0.0 112.911 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -88.61 24.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.48 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.874 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 56.4 mm-40 -93.69 173.83 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.19 -179.65 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.15 -74.48 0.09 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.007 179.607 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -143.76 141.82 30.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -119.57 99.7 49.67 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -88.92 125.4 1.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.123 2.548 . . . . 0.0 113.079 -177.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 6.7 mp -117.36 151.82 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 177.183 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.0 tp -133.92 115.94 15.01 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.235 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 91' ' ' LEU . 6.5 t -84.03 118.64 31.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.271 0.557 . . . . 0.0 110.377 -175.458 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.874 ' HB ' HG12 ' A' ' 92' ' ' VAL . 25.6 t -121.57 122.26 66.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.719 -176.492 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.46 111.24 3.52 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 173.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.28 145.83 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.14 0.47 . . . . 0.0 111.198 -174.452 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.537 ' C ' ' H ' ' A' ' 131' ' ' ASP . 6.4 mppt? 61.5 40.37 13.82 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.126 178.522 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.9 m -72.81 30.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.232 0.539 . . . . 0.0 111.058 174.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 129' ' ' LYS . 28.8 t70 -87.78 -17.58 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.673 -179.459 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.482 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -68.37 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.01 178.299 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.09 -57.14 0.61 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.607 0.763 . . . . 0.0 111.966 -177.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -19.32 60.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -173.1 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -104.82 15.09 28.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.552 0.215 . . . . 0.0 111.458 178.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -69.51 112.38 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.08 -3.15 35.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.24 121.17 36.92 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.433 . . . . 0.0 110.557 176.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.71 118.12 4.95 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.354 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.53 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -67.2 -19.81 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.606 179.47 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.84 -52.87 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.546 179.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 145' ' ' SER . 2.1 pt-20 -87.3 -18.4 30.26 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.893 178.625 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -62.89 -44.51 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.512 . . . . 0.0 110.165 176.549 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -71.38 -36.16 71.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.919 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' A' ' 142' ' ' GLU . 23.3 t -60.1 -35.96 76.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.811 176.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -61.33 -38.64 87.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.687 0.28 . . . . 0.0 111.1 176.26 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 154' ' ' TYR . . . -61.73 -44.17 97.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.24 -41.09 92.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.119 175.618 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.88 -40.39 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.246 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.469 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 40.9 m0 -92.63 -7.61 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.687 -175.704 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.55 35.99 21.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.435 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.75 -178.63 2.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.568 0.223 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.581 ' HG3' HD13 ' A' ' 124' ' ' LEU . 9.1 pt20 -103.99 157.63 16.97 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.681 174.927 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.477 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 89.4 t80 -121.57 122.74 40.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.607 176.172 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.55 130.04 72.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.524 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.09 140.28 29.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.6 p -127.95 130.44 48.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.115 0.483 . . . . 0.0 111.641 -174.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.483 ' HB2' ' HB2' ' A' ' 163' ' ' ALA . 14.0 m -93.81 91.49 6.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.833 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.08 -1.36 12.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.194 -174.084 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -83.83 -18.49 37.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.699 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.0 p -130.75 3.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.29 -178.59 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 62.32 24.25 14.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.559 -176.103 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 158' ' ' SER . . . -71.83 118.94 15.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.996 -178.249 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 163' ' ' ALA . 4.9 m-20 74.22 0.71 3.68 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.947 0.78 . . . . 0.0 111.719 177.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 168' ' ' VAL . 88.4 t -68.72 -48.55 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.376 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.85 -34.42 78.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -175.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -52.03 -51.71 55.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.084 -176.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 165' ' ' VAL . 23.0 m -60.64 -27.37 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.323 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -74.93 -48.53 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 0.0 110.512 178.142 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.514 ' HA ' ' HE2' ' A' ' 173' ' ' MET . 82.3 m-85 -67.8 -41.12 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.236 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.25 -51.37 66.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.999 -176.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.6 tp -61.64 -35.84 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.554 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.514 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 56.8 mtm -60.88 -30.63 70.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.153 177.905 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -66.45 -42.19 87.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 178.389 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.418 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 18.8 mt-10 -66.59 -37.38 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.234 177.813 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 172' ' ' LEU . 71.7 mt -56.81 -34.05 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.852 179.536 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.05 -49.03 76.14 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.3 m -62.45 -38.96 91.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.7 mptt -62.7 -44.49 96.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.914 177.784 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.33 -34.34 74.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.237 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.949 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' B' ' 446' ' ' ALA . 8.8 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.232 0.539 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.2 -26.73 68.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.93 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.74 -55.25 31.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.502 -177.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.12 -37.88 93.45 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.275 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.449 ' O ' HG13 ' B' ' 402' ' ' ILE . 29.5 mm -58.19 -50.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.625 0.25 . . . . 0.0 110.869 178.777 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 61.8 mttm -58.66 -45.62 88.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.545 -177.818 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.61 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.099 179.237 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.0 -34.02 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.887 0.375 . . . . 0.0 110.158 178.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.51 ' HA ' HD23 ' B' ' 439' ' ' LEU . 45.5 mt -57.12 -51.44 69.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.346 173.599 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 399' ' ' LYS . 21.3 mmm180 -59.35 -32.97 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.681 -179.467 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.4 ttm180 -65.94 -48.4 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 177.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.78 -36.94 73.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.952 -175.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 67.9 mt-10 -61.28 -38.54 87.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -71.5 -43.25 66.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.099 176.591 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 71.0 mt -57.32 -46.47 83.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.306 178.716 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.607 HD13 ' OH ' ' A' ' 82' ' ' TYR . 21.9 tp -71.66 -36.88 70.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.405 -178.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 62.2 t30 -67.78 -43.15 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.951 179.824 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 411' ' ' SER . . . . . 0.768 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 10.2 t -62.13 -42.65 99.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.39 -177.74 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.426 ' CB ' HD23 ' B' ' 429' ' ' LEU . 33.1 mt -63.78 -37.61 88.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 110.443 174.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.4 m170 -61.67 -33.18 73.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.811 175.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.768 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 80.3 mtm180 -74.34 -43.49 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.963 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.28 -51.63 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.935 -177.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' B' ' 425' ' ' LYS . 62.5 mt -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.755 -177.176 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.4 tt0 -72.43 -12.25 61.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.32 -177.254 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.34 0.45 89.67 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.41 177.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.69 -10.18 45.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.302 177.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 46.1 mt -89.07 143.21 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.513 ' HA ' HD23 ' B' ' 416' ' ' LEU . 0.5 OUTLIER -149.85 149.67 30.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 111.737 175.053 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.598 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 23.9 t70 -148.24 163.08 38.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.396 175.745 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.67 -32.64 71.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.667 0.27 . . . . 0.0 110.98 -177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 16.8 t -64.61 -31.87 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.006 0.431 . . . . 0.0 109.866 178.627 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.598 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.6 mmtt -64.06 -54.23 37.36 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.318 0.58 . . . . 0.0 110.879 -176.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.427 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 11.2 pt-20 -64.81 -36.59 84.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.195 -175.12 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.6 mt-10 -65.56 -49.75 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.65 ' O ' HG23 ' B' ' 432' ' ' VAL . 23.7 mmt180 -61.09 -39.86 91.54 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.62 179.245 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' B' ' 429' ' ' LEU . 9.5 mt -57.29 -42.94 82.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.586 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -67.0 -42.17 85.47 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.291 175.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.57 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 46.0 mt-10 -59.02 -55.44 35.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.306 -178.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.6 t -58.31 -35.41 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.799 -178.331 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 26.0 tp60 -56.73 -58.43 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.288 -178.7 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.631 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -70.85 -25.32 62.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.988 -178.766 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' B' ' 432' ' ' VAL . 81.9 mt -62.98 -49.94 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 173.644 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.02 -44.23 82.63 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.12 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.631 HG22 ' HA ' ' B' ' 434' ' ' ARG . 2.4 t -69.82 -40.45 75.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.399 -177.466 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -61.8 -35.44 78.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.5 0.667 . . . . 0.0 109.653 175.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' B' ' 402' ' ' ILE . 7.4 tp -66.81 -40.27 88.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.834 179.182 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.411 ' HG3' ' HE1' ' A' ' 51' ' ' TYR . 29.7 mmtp -63.85 -33.05 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 177.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -66.43 -44.32 83.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.164 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -58.24 -37.16 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.829 178.043 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.445 ' HB2' HD12 ' B' ' 402' ' ' ILE . 3.2 tm? -62.62 -44.97 94.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.345 178.659 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -82.53 -2.35 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.402 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.28 -35.2 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.016 178.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.42 ' HB2' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.075 -176.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.822 0.344 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 12.9 3.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.24 0.543 . . . . 0.0 111.39 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -135.74 115.71 13.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.676 176.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 13.7 m-70 -115.4 152.68 32.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.938 -179.763 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.879 ' HG2' ' HB2' ' A' ' 65' ' ' ASP . 35.0 mtmt -135.82 122.19 20.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.363 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.04 128.73 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.256 0.55 . . . . 0.0 110.145 177.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 83' ' ' PHE . 63.6 mt -102.2 124.33 56.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.52 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.501 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 60.7 tpp -88.04 111.82 21.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.789 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.14 150.32 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 0.0 111.002 -179.218 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.69 173.0 24.63 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -176.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 p -98.57 -175.29 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.37 0.585 . . . . 0.0 111.045 -178.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.01 35.33 2.75 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.31 -0.472 . . . . 0.0 113.424 -175.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.23 -15.41 1.01 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.676 178.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 t -75.86 -23.8 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.62 31.64 58.38 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.287 -174.198 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HE2' ' HG3' ' A' ' 19' ' ' MET . 11.4 ptmm? -58.11 -23.78 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.462 0.705 . . . . 0.0 112.663 -175.182 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 m -76.3 -25.77 55.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 178.012 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 159' ' ' ALA . 87.5 mt -74.02 -35.66 64.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.749 -177.71 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.526 ' HA ' ' HZ ' ' A' ' 169' ' ' PHE . 23.7 p -67.57 -54.58 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 7.4 mp -70.56 -14.58 62.56 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.558 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.691 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.32 -30.39 68.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.193 177.014 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.97 -26.45 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.1 -178.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.731 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -76.33 -35.03 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.854 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 76.9 m-85 -116.5 4.72 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -168.667 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.0 m-20 71.66 -58.0 0.59 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.646 0.591 . . . . 0.0 110.201 -175.626 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.11 127.53 52.61 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.691 ' HB3' ' HA ' ' A' ' 33' ' ' GLN . 2.5 t80 -154.95 128.09 8.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.438 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 39' ' ' PHE . 5.4 p -176.28 107.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 121.955 0.883 . . . . 0.0 111.131 152.538 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -98.8 12.86 34.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.462 175.145 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 66.04 95.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.196 -173.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.67 134.9 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.078 -165.606 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.652 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 8.6 tp10 -126.45 -58.31 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 174.941 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 14.4 Cg_endo -55.9 103.76 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.381 2.054 . . . . 0.0 112.952 -176.67 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -160.69 79.61 0.64 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.345 179.214 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -88.54 -59.07 2.33 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.858 176.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.92 -31.78 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.722 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.22 149.94 48.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.148 -170.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.5 m -151.92 -177.47 6.16 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.028 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.22 142.09 51.57 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.389 -170.485 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 6.4 tpp180 -78.07 132.42 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.746 176.917 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.731 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.1 tptt -127.8 132.37 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.176 175.363 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.61 131.68 52.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.577 174.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.5 m -140.36 149.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 -179.799 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -136.56 110.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.477 0.656 . . . . 0.0 110.492 173.307 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.44 97.4 7.15 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 48.98 81.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.386 -174.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.65 -126.34 1.71 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.986 -1.102 . . . . 0.0 114.23 178.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -113.63 169.07 9.24 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.202 0.201 . . . . 0.0 110.616 -173.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.32 107.82 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.579 -179.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.8 t -106.93 140.5 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.154 -178.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.69 153.16 29.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.962 0.41 . . . . 0.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 17.4 tt -134.82 131.79 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.962 -176.84 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.879 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 20.3 m-20 -90.8 126.69 36.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 176.726 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.1 mm -108.91 136.03 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.645 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.76 109.21 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.704 0.288 . . . . 0.0 110.343 177.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.95 94.63 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.186 0.517 . . . . 0.0 110.054 176.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -61.07 138.34 58.2 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.291 -176.773 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -64.1 142.78 58.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.342 177.621 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 51.87 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.658 179.061 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.452 ' HG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -132.56 174.59 10.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.863 -0.168 . . . . 0.0 110.732 -178.822 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.96 12.75 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.391 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HB2' HD11 ' A' ' 72' ' ' LEU . 15.7 m-20 -87.16 -76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.333 0.587 . . . . 0.0 112.095 -176.613 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -78.08 79.61 4.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.217 -169.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.42 -17.66 62.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 110.565 174.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.84 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.78 -6.86 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.35 179.474 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.703 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 65.6 mt -104.09 -28.88 2.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 178.626 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -93.21 -64.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.98 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.64 -54.63 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.268 0.556 . . . . 0.0 111.274 -176.351 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.84 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 93.5 m-20 -72.35 -16.96 61.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.444 -172.484 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.885 ' HE2' ' HE1' ' B' ' 413' ' ' HIS . 0.1 OUTLIER -92.52 -25.35 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.883 -176.228 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -75.49 68.15 2.11 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' NH2' ' HE3' ' B' ' 421' ' ' LYS . 18.9 mmt180 -129.04 -67.45 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -177.672 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -84.22 32.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.395 -178.521 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.85 135.7 12.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.025 -179.058 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 3.5 mm-40 -84.73 -65.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.847 0.356 . . . . 0.0 110.206 -177.541 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.95 157.15 15.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.247 -175.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -123.82 132.49 53.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 111.238 -178.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.7 mt -96.42 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.904 175.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.58 HD23 HG23 ' A' ' 125' ' ' VAL . 43.7 tp -100.74 106.58 18.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.307 -176.265 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.48 140.08 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.09 0.471 . . . . 0.0 111.612 -174.299 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -140.3 172.75 12.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.709 177.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.4 p -123.6 147.73 47.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.928 0.394 . . . . 0.0 110.66 179.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.568 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -81.01 -5.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.981 -175.901 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.716 HG21 HD21 ' A' ' 132' ' ' LEU . 1.1 p -94.78 -44.96 7.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.435 174.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.96 93.26 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.677 178.354 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.428 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 46.5 t-80 -60.28 -24.18 64.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 -177.167 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.41 -48.65 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.066 177.162 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.8 p -67.1 -32.38 73.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.368 -175.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.25 -46.16 78.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.672 -179.589 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.1 m -72.71 -28.32 62.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.3 0.572 . . . . 0.0 110.434 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.21 -14.11 60.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.25 -177.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 p -50.37 -47.27 56.28 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.107 0.479 . . . . 0.0 111.403 -179.008 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.09 95.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.561 178.098 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.54 -41.65 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.141 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.471 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.9 m-85 -58.7 -48.13 82.18 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.429 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -62.77 -41.82 99.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.821 -178.584 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.69 -35.32 79.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.179 179.014 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.76 -31.84 71.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.627 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 107' ' ' PHE . 83.2 mt -66.85 -52.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.643 176.294 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.543 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.5 mp -70.01 -13.63 62.31 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.984 0.421 . . . . 0.0 111.132 -179.145 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 113' ' ' ARG . 35.7 ttt180 -71.4 -35.61 71.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.182 0.515 . . . . 0.0 110.031 178.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 115' ' ' LYS . 31.8 m -105.2 -25.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.072 -177.836 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 114' ' ' VAL . 6.5 mtpm? -129.2 109.08 10.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.361 -179.044 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.95 14.11 0.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.748 0.309 . . . . 0.0 111.543 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -136.11 26.08 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 109.841 -177.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.24 -174.08 2.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.369 -175.209 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -72.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.167 172.329 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.712 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 73.9 mmtt -145.0 132.25 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.232 -177.073 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.6 mt -108.7 99.57 34.66 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.707 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 92.3 Cg_endo -84.68 136.39 6.23 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.906 2.404 . . . . 0.0 112.625 -179.551 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.58 149.33 43.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.43 179.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.726 HD12 ' HG2' ' A' ' 153' ' ' GLN . 5.5 tp -136.12 114.5 11.69 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.767 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.58 HG23 HD23 ' A' ' 91' ' ' LEU . 7.4 t -87.04 119.32 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.253 0.549 . . . . 0.0 109.679 -177.879 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.88 136.18 51.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.231 -175.52 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.18 117.8 5.98 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.215 175.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 63.8 t30 -107.78 168.82 9.0 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.595 ' HB3' HD22 ' A' ' 132' ' ' LEU . 2.7 mptm? 73.0 31.65 1.46 Allowed 'General case' 0 C--O 1.223 -0.306 0 O-C-N 123.678 0.611 . . . . 0.0 111.489 -179.385 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.8 m -71.29 -2.46 16.27 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.83 -0.544 . . . . 0.0 110.366 176.598 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.45 -25.76 63.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.78 -177.059 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.716 HD21 HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -81.52 -53.11 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.545 -177.743 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 66.26 -69.84 0.11 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.548 0.739 . . . . 0.0 112.153 -177.655 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.2 pt-20 -61.46 -27.05 68.29 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.127 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.504 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 27.9 mtp180 -92.0 18.05 8.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.517 -174.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.568 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -68.24 113.26 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.504 -179.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 36.6 tt0 -91.11 -29.55 17.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.623 -177.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.7 124.21 33.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.776 0.322 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.69 120.18 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.268 1.979 . . . . 0.0 110.895 175.753 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.0 p -71.94 -6.42 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.184 0.516 . . . . 0.0 110.82 -175.214 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.86 -52.78 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.563 176.411 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 11.4 pt-20 -74.86 -21.52 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -178.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.0 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 177.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 21.8 mtp180 -67.42 -39.13 85.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.176 0.513 . . . . 0.0 110.112 177.324 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.4 t -56.37 -34.49 66.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.878 176.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 75.2 mmtt -62.6 -47.94 81.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.816 178.027 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.14 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.28 -42.59 88.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.3 -25.16 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.524 -179.394 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -91.9 -4.34 54.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.187 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.72 41.08 89.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.337 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.42 179.21 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.726 ' HG2' HD12 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.83 149.19 24.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.787 176.346 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -127.44 114.95 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.607 174.41 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.71 142.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.048 178.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.21 153.43 22.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 111.718 -176.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.0 p -141.16 166.58 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.508 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.9 m -152.67 116.23 4.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.577 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -86.13 -30.15 22.75 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.487 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.5 -23.03 53.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.933 0.397 . . . . 0.0 110.636 -175.6 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 2.1 p -106.97 -5.46 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.976 174.658 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.435 ' HG3' ' OE1' ' A' ' 33' ' ' GLN . 6.5 mpt_? 60.16 80.66 0.2 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.474 -179.641 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -150.13 127.53 11.45 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 67.37 5.24 4.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 171.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 33' ' ' GLN . 18.2 t -69.09 -37.1 76.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 111.079 -175.473 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -72.04 -29.77 64.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.37 -48.08 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.289 -177.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.97 -29.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.683 -175.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.526 ' HZ ' ' HA ' ' A' ' 31' ' ' THR . 29.7 m-85 -70.38 -55.91 7.94 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.64 178.672 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.456 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.2 m-85 -61.12 -34.68 75.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.24 -178.122 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.9 -51.96 67.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 -178.22 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 176' ' ' ILE . 41.3 tp -69.47 -34.66 74.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.18 0.515 . . . . 0.0 110.246 179.181 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.6 mtp -61.05 -32.25 71.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 178.165 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 27.4 mmt180 -68.41 -43.08 77.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.606 175.935 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.473 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.0 mt-10 -60.69 -34.68 74.71 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.392 0.433 . . . . 0.0 111.499 179.078 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 172' ' ' LEU . 72.5 mt -55.88 -32.43 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.391 -178.632 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.9 m -65.84 -34.5 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.712 -178.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.712 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.7 mptt -68.84 -42.28 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -179.388 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -75.02 -29.94 60.95 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 C--N 1.328 -0.349 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.795 177.975 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -62.53 -29.9 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.006 -178.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.73 -54.61 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.24 -37.1 92.63 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.136 -179.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.424 ' O ' HG13 ' B' ' 402' ' ' ILE . 42.7 mm -58.18 -50.5 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 110.113 177.457 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' B' ' 402' ' ' ILE . 60.1 mttm -61.31 -34.77 75.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.383 -178.89 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 43.0 mt-10 -61.55 -48.64 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.881 178.387 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.451 ' HG2' ' NH2' ' B' ' 404' ' ' ARG . 18.8 mt-10 -68.49 -32.46 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.491 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 88.3 mt -57.17 -52.95 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.55 -38.0 71.3 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 178.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.451 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 34.6 ttm180 -62.72 -44.81 95.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.855 -178.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 72.2 mm-40 -75.85 -31.3 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.327 -178.376 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.1 mt-10 -60.37 -41.7 94.28 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.154 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.12 -52.34 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.402 176.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.67 ' HB2' HG21 ' B' ' 432' ' ' VAL . 93.5 mt -58.2 -48.31 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.693 179.642 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.457 ' HG ' ' NE2' ' B' ' 413' ' ' HIS . 18.9 tp -61.63 -45.96 91.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.168 -179.414 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -56.2 -44.4 79.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.086 179.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 17.6 t -60.77 -54.73 41.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.265 -178.591 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.555 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -57.86 -31.91 67.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.862 0.363 . . . . 0.0 111.374 178.615 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.885 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 10.9 m-70 -69.45 -46.58 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.855 176.27 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -70.73 -52.93 17.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.84 -40.67 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 111.491 -175.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.483 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -74.17 -25.87 59.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.916 -177.548 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.15 -20.52 65.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 176.188 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.04 -3.78 70.03 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.251 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.51 -0.38 59.72 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.07 178.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 45.3 mt -97.5 116.42 39.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 84' ' ' ARG . 25.5 pttm -138.45 153.1 48.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.292 0.568 . . . . 0.0 110.263 177.445 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.538 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.03 163.31 37.27 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.409 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.8 mp -63.68 -29.24 70.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.8 -178.004 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.8 t -65.42 -34.97 79.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 44.3 mmtt -73.35 -47.36 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 -177.228 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 32.6 mt-10 -61.78 -47.75 83.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.957 -175.199 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.72 -36.01 82.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 175.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.499 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 tpt180 -66.53 -39.99 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.474 179.036 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.39 -53.17 60.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.48 179.358 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.479 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -64.9 -34.09 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.88 0.372 . . . . 0.0 110.794 178.637 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.621 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 37.2 tt0 -67.83 -56.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.035 -175.174 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.2 p -64.41 -33.96 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.289 0.566 . . . . 0.0 110.013 -178.85 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.83 -51.38 67.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.805 177.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.694 ' HA ' HG23 ' B' ' 437' ' ' THR . 0.3 OUTLIER -70.85 -26.82 63.44 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.132 -175.314 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' B' ' 432' ' ' VAL . 33.6 mt -69.69 -47.11 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.242 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -58.53 -43.91 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.697 178.698 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.694 HG23 ' HA ' ' B' ' 434' ' ' ARG . 14.4 t -73.23 -30.23 63.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.656 0.265 . . . . 0.0 111.177 -177.007 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.15 -38.26 85.21 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 174.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.6 -34.34 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.289 175.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 35.2 mmtp -61.74 -41.48 97.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.276 0.56 . . . . 0.0 110.049 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.09 -42.43 84.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.376 178.806 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -58.67 -34.68 71.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.045 176.487 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.64 87.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.781 178.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' B' ' 444' ' ' ARG . 37.3 mtt180 -81.64 -1.94 48.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.687 178.714 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -85.97 -33.26 21.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.224 0.535 . . . . 0.0 109.752 174.625 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.831 -179.984 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.409 HD21 ' HB2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.82 0.819 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.22 20.75 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.366 -174.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.0 tp -123.0 101.86 7.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.023 0.44 . . . . 0.0 109.858 177.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -112.99 133.88 54.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -171.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.746 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -96.88 125.32 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.501 0.191 . . . . 0.0 110.822 177.775 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.68 110.24 25.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.57 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -101.97 118.45 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.553 -178.017 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.688 ' HG2' HD13 ' A' ' 90' ' ' LEU . 86.4 mtp -89.94 122.92 33.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.694 178.763 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.8 m -117.54 152.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 -176.723 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.15 167.67 40.67 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 14.8 t -58.92 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.9 0.35 . . . . 0.0 110.55 -177.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.534 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -122.26 24.46 6.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.033 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 65.57 44.29 93.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.764 -179.661 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.73 -64.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 33.51 2.68 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.268 -177.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.775 ' HG2' HG21 ' A' ' 92' ' ' VAL . 4.8 mtmp? -79.16 -21.98 45.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 110.604 -176.568 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 m -92.71 -17.88 23.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.21 -54.62 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.399 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' HB1' ' A' ' 159' ' ' ALA . 93.1 mt -64.82 -35.66 81.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -177.082 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.628 ' O ' ' HG3' ' A' ' 35' ' ' MET . 2.5 p -70.46 -37.14 74.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.382 -178.927 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -60.38 -43.96 96.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 109.928 176.934 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.643 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -62.6 -37.26 85.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.953 177.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 36.0 t80 -72.36 -12.43 61.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.021 -178.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 31' ' ' THR . 89.1 mtp -97.39 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.705 0.288 . . . . 0.0 111.699 -178.364 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.445 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 97.6 m-85 -118.88 2.5 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.684 -174.172 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 62.71 18.2 10.42 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.447 0.467 . . . . 0.0 111.722 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 12.0 pt-20 -106.14 155.78 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.549 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.643 ' HA ' HE22 ' A' ' 33' ' ' GLN . 54.0 t80 -80.03 148.33 31.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' HG ' ' A' ' 32' ' ' LEU . 33.5 t -69.94 108.09 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.175 -177.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.22 -65.84 0.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 172.578 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -148.94 110.03 4.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.807 0.813 . . . . 0.0 110.061 172.244 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -160.32 91.5 0.93 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.844 176.074 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.7 mm-40 -90.39 -34.58 0.38 Allowed Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.074 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 75.1 Cg_exo -43.71 94.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.479 2.12 . . . . 0.0 113.925 177.575 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.414 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.4 p -154.72 22.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.271 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.08 -55.87 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.694 -175.221 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 26.91 6.73 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 171.299 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.01 93.79 4.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.984 -170.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -97.8 171.12 8.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -148.27 150.48 33.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.899 0.381 . . . . 0.0 110.629 177.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -95.2 105.97 17.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.125 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 58.8 tptt -101.41 123.9 46.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.113 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.606 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 1.1 tmmt? -107.57 120.36 41.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.008 178.218 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 m -127.64 143.8 39.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.908 -179.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.9 p -98.57 102.4 13.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.944 0.878 . . . . 0.0 109.967 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.87 99.74 11.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.029 -177.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 49.97 70.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.93 -51.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 114.277 172.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.08 135.43 37.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 117.531 0.665 . . . . 0.0 111.279 -173.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 45.1 mt-10 -82.69 108.13 15.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.706 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.99 151.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.666 -172.452 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -114.11 139.4 49.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.184 0.516 . . . . 0.0 110.116 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' HE2' ' A' ' 173' ' ' MET . 15.4 tt -128.75 130.01 68.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.67 -176.622 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 6.5 m-20 -87.73 117.46 26.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.379 178.598 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.26 121.8 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.323 177.336 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -121.3 103.91 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.776 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.6 t0 -85.11 91.33 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.289 -176.751 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 79' ' ' ARG . 34.9 p -60.02 153.04 22.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.568 -176.76 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.01 153.15 27.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.08 175.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.534 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -99.08 54.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.124 -178.76 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.565 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -160.11 152.22 20.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 110.847 179.408 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.65 -13.13 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.507 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.443 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -54.11 -64.14 0.92 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 110.264 175.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.5 m-85 -93.49 55.76 2.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.351 179.397 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -18.39 62.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.916 178.06 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.729 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -72.12 -7.42 48.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.381 176.802 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.407 HG12 ' CE1' ' B' ' 413' ' ' HIS . 78.4 mt -100.47 -41.86 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.225 0.536 . . . . 0.0 110.121 176.243 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.601 ' HA ' HG22 ' A' ' 69' ' ' THR . 34.0 ttp180 -91.58 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.785 -173.676 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.01 -42.85 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.517 -166.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.729 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -67.42 -42.33 83.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 111.836 -175.151 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.449 ' OH ' HD22 ' B' ' 409' ' ' LEU . 28.7 m-85 -62.53 -15.73 52.12 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.611 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.601 ' HB3' HG23 ' A' ' 114' ' ' VAL . 15.0 m-30 -59.01 -28.28 66.25 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.53 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' NH2' ' HA ' ' A' ' 81' ' ' ASN . 1.9 mpp_? -53.72 -52.26 60.69 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.281 0.363 . . . . 0.0 111.904 -175.207 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 15.0 m -93.84 21.52 6.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -178.528 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.88 143.13 17.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.603 -179.094 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.746 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 50.6 mm-40 -88.96 -75.63 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.27 157.19 15.18 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.325 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.54 132.21 48.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.049 0.452 . . . . 0.0 111.291 -174.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.688 HD13 ' HG2' ' A' ' 19' ' ' MET . 82.6 mt -99.88 105.7 17.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 178.239 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.7 106.67 12.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.843 HG13 ' HB ' ' A' ' 126' ' ' VAL . 32.8 m -107.21 134.3 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.226 0.536 . . . . 0.0 111.314 -177.77 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -143.81 150.53 38.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 97' ' ' GLU . 3.2 p -100.95 148.57 24.85 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.751 177.399 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.583 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.57 -7.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.584 -178.314 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.576 HG22 HD21 ' A' ' 132' ' ' LEU . 1.6 p -94.97 -45.96 7.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.068 175.551 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 2.1 mp0 -81.44 91.55 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.006 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -65.2 -30.51 71.42 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.458 -172.255 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.83 -19.38 63.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 111.081 -175.445 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.8 m -66.11 -30.26 70.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.946 0.403 . . . . 0.0 110.739 178.205 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.629 ' HZ ' ' HG3' ' A' ' 146' ' ' LYS . 69.2 t80 -74.44 -24.53 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.312 0.577 . . . . 0.0 110.431 -179.235 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -37.66 62.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.295 0.569 . . . . 0.0 109.59 176.264 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.39 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.229 -179.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.73 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 12.4 p -59.33 -28.48 66.86 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.045 0.45 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -48.64 68.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 178.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.8 -25.11 61.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.57 -179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.73 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-30 -55.82 -38.15 69.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.134 -177.726 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 150' ' ' TRP . 74.9 mtp180 -53.31 -59.1 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.394 178.201 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.99 -32.13 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.638 -177.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.69 -34.64 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.901 0.382 . . . . 0.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.9 mt -72.98 -39.94 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 177.096 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.54 -15.16 63.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -76.17 -32.3 58.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 176.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 83' ' ' PHE . 34.0 m -100.35 -28.1 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.356 -179.062 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.613 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 32.0 mtmt -129.38 110.58 12.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 177.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.67 1.65 1.18 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.44 173.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.01 23.23 6.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.011 0.434 . . . . 0.0 110.745 -177.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.613 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -109.39 -168.09 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.652 -177.794 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.5 m-20 -63.99 -72.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.916 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 56.9 mmtt -159.27 150.59 20.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.662 0.267 . . . . 0.0 110.512 -179.654 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.9 mt -114.4 101.85 54.45 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -176.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 132.77 4.69 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.998 2.465 . . . . 0.0 112.174 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.438 ' HB2' HG13 ' A' ' 152' ' ' VAL . 6.1 mp -127.5 150.42 49.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.33 178.742 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.68 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.4 tp -144.54 122.47 12.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.165 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.433 ' N ' HD11 ' A' ' 124' ' ' LEU . 10.8 t -90.15 118.87 36.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.229 0.537 . . . . 0.0 109.715 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.843 ' HB ' HG13 ' A' ' 92' ' ' VAL . 40.2 t -109.15 112.81 42.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.835 -174.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.78 115.25 4.31 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 175.598 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.3 173.6 6.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.044 0.422 . . . . 0.0 111.551 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.2 OUTLIER 74.14 26.56 1.65 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.884 178.224 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 m -72.52 36.22 0.07 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.294 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.9 t70 -103.47 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.303 0.573 . . . . 0.0 110.222 178.517 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.576 HD21 HG22 ' A' ' 96' ' ' THR . 0.5 OUTLIER -71.3 -50.61 30.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.227 -179.28 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 66.84 -72.43 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.375 0.67 . . . . 0.0 112.211 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.8 17.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.19 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.515 ' HB2' HD11 ' A' ' 132' ' ' LEU . 63.7 mtp180 -124.07 14.92 9.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.855 0.359 . . . . 0.0 110.344 176.642 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.583 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 20.8 ttm180 -67.4 113.14 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 0.0 110.145 -179.066 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -87.55 -33.64 18.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.064 -175.658 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.48 129.36 24.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -176.802 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 11.5 Cg_endo -56.37 110.43 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.676 2.251 . . . . 0.0 111.024 174.232 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.0 OUTLIER -73.09 -16.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.879 0.371 . . . . 0.0 111.026 -173.197 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -49.24 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 177.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -69.11 -26.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.337 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.09 88.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.415 175.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.3 mtp180 -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 174.608 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 t -61.69 -39.19 90.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.431 177.861 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.629 ' HG3' ' HZ ' ' A' ' 101' ' ' PHE . 45.0 mmtm -58.6 -53.13 61.77 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 176.287 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.12 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.707 -178.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.14 -39.88 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.55 -39.51 88.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.212 0.529 . . . . 0.0 110.553 178.465 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.442 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 40.3 m0 -71.98 -12.64 61.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 -179.681 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.56 30.17 41.23 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.938 -178.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 123' ' ' LEU . 35.2 m -127.57 179.57 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 121.078 0.466 . . . . 0.0 111.294 -177.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.68 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -106.16 151.89 24.16 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.818 176.632 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -120.28 127.03 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.861 174.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -126.94 134.97 64.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -178.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.57 124.07 31.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.783 174.105 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.0 p -126.72 136.26 52.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.373 0.606 . . . . 0.0 111.961 -175.011 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m -123.83 105.38 9.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.194 176.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -79.48 -3.71 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.237 0.541 . . . . 0.0 110.291 179.552 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -77.89 -44.31 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.833 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.0 t -107.17 7.65 29.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 59.41 57.75 3.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.43 125.56 49.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.359 -177.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 70.37 15.09 7.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.1 0.875 . . . . 0.0 112.036 175.332 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' A' ' 33' ' ' GLN . 56.5 t -67.23 -45.81 85.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.942 0.401 . . . . 0.0 110.255 178.738 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.56 -43.54 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.594 -179.486 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -46.96 -56.48 6.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.289 -177.178 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.58 -32.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -172.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -75.23 -51.36 13.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.348 179.756 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.519 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 44.1 m-85 -69.58 -37.49 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.673 -175.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.79 -45.48 92.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.517 -177.598 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.94 -42.55 66.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.454 -178.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 17.7 ptp -64.29 -28.78 69.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.723 -176.748 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -59.1 -51.13 71.36 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.535 177.331 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.62 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.2 mm-40 -54.03 -37.32 63.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.421 178.773 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 173' ' ' MET . 67.0 mt -56.28 -29.44 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.447 -177.677 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -66.74 -53.4 33.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.9 m -64.79 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.828 -176.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.916 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 11.3 mptt -59.23 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.66 177.576 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' A' ' 87' ' ' GLU . 66.8 mttm -75.17 -32.67 61.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.698 ' O ' HG12 ' B' ' 398' ' ' ILE . 34.3 m . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.28 -38.87 69.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.037 0.446 . . . . 0.0 110.62 -178.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.14 -52.79 64.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.687 175.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.45 91.86 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 394' ' ' THR . 45.6 mm -58.27 -49.72 80.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 178.14 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -59.33 -38.85 81.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.196 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.87 -39.64 83.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.928 178.03 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.6 mt-10 -65.62 -43.37 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.853 176.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.628 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.4 mt -55.72 -53.14 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.303 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -54.84 -41.22 70.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 178.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.566 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 71.0 ttt180 -59.88 -52.03 67.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.707 178.163 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.1 mm-40 -70.54 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.73 -176.082 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' B' ' 436' ' ' LEU . 44.0 mt-10 -60.12 -47.96 83.73 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.67 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.77 -42.53 85.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 96.0 mt -58.74 -47.91 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 110.452 178.32 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.638 HD23 HG11 ' B' ' 432' ' ' VAL . 3.2 tm? -72.41 -36.89 68.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.446 -179.037 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 177.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 26.6 t -59.71 -49.65 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.042 178.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 70.3 mt -58.51 -40.52 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 110.539 176.097 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.407 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.1 m170 -62.79 -45.54 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.777 -179.497 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -76.94 -30.12 55.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.17 -53.47 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.24 0.543 . . . . 0.0 110.984 178.443 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.577 HD13 HD11 ' B' ' 429' ' ' LEU . 70.3 mt -68.5 -25.95 65.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.624 -176.142 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.97 -17.0 62.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.639 179.336 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.17 12.47 62.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.115 178.291 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.52 -31.72 7.78 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 50.4 mt -58.19 137.6 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.824 0.45 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.464 ' HA ' HD21 ' B' ' 416' ' ' LEU . 8.8 ptpp? -159.98 149.62 18.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.278 0.561 . . . . 0.0 111.161 174.431 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.7 t70 -150.41 159.15 44.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.035 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -64.1 -29.26 70.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.245 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.7 m -64.78 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.178 0.513 . . . . 0.0 110.269 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 31.6 mmtt -69.37 -53.32 20.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.094 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.66 -46.3 84.43 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.188 -174.463 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.91 -41.22 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.908 -178.307 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.486 ' O ' HG12 ' B' ' 432' ' ' VAL . 26.0 tpt180 -70.7 -31.63 68.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.35 -179.386 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.577 HD11 HD13 ' B' ' 416' ' ' LEU . 14.4 mt -55.81 -56.41 20.91 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.053 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.614 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 53.8 m95 -61.43 -41.79 97.74 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.43 0.456 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 28.2 mm-40 -64.22 -56.44 14.62 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.638 HG11 HD23 ' B' ' 409' ' ' LEU . 14.8 p -62.1 -34.29 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.271 0.558 . . . . 0.0 109.945 -178.685 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -57.31 -53.37 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.042 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.753 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.94 -26.68 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.023 -178.426 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.551 HD11 ' HA ' ' B' ' 432' ' ' VAL . 67.0 mt -65.91 -45.93 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' B' ' 406' ' ' GLU . 26.6 tp -58.1 -42.67 86.19 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 175.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.753 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -73.56 -31.14 63.47 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.517 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.84 -36.45 83.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 173.327 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.956 HD11 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -63.23 -38.29 90.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.946 176.019 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.92 -34.06 76.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.027 177.089 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.97 -46.45 81.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.956 ' HD3' HD11 ' B' ' 439' ' ' LEU . 48.2 mtpt -59.06 -36.11 74.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 178.156 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.54 ' HB2' HD12 ' B' ' 402' ' ' ILE . 2.3 tm? -66.26 -41.69 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.458 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -82.08 -5.18 58.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.111 0.481 . . . . 0.0 110.568 178.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.49 -34.72 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.179 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.798 -178.08 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.55 10.91 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.567 0.699 . . . . 0.0 110.532 177.863 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -139.14 129.91 26.14 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.013 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -129.31 152.45 48.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.905 0.383 . . . . 0.0 111.05 -175.598 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -122.02 109.01 14.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.3 177.639 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.55 119.24 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.143 179.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.455 HG21 ' HE1' ' A' ' 83' ' ' PHE . 62.5 mt -115.02 131.62 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.44 ' HE1' ' HB2' ' A' ' 30' ' ' LEU . 47.3 mtt -92.66 117.38 29.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.082 0.468 . . . . 0.0 110.107 175.105 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.95 133.25 40.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.776 -178.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.07 157.4 29.62 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 p -72.98 -82.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.174 -176.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.74 -74.26 1.25 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.69 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.49 66.11 0.32 Allowed Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.668 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 93' ' ' PHE . 2.5 t -83.41 49.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.217 0.532 . . . . 0.0 110.456 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.13 15.76 74.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.632 179.482 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' HG22 ' A' ' 92' ' ' VAL . 59.4 pttt -76.06 15.02 0.6 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.681 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -130.28 -14.23 3.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.799 173.06 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.83 -55.49 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.662 -174.169 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 8.5 mp -68.02 -36.63 80.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.401 -174.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -64.7 -40.85 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.716 179.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 40' ' ' VAL . 22.4 tp -64.78 -42.45 95.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 86.2 mt-30 -65.39 -35.94 82.46 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 177.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.19 -39.11 68.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 179.029 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.502 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 60.2 mtm -83.15 -50.74 8.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.106 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 80.8 m-85 -105.54 -3.05 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 21.8 t70 74.91 -15.31 0.66 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.113 0.565 . . . . 0.0 111.976 178.239 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.13 154.07 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.513 . . . . 0.0 111.26 -172.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HD1' ' NE2' ' A' ' 33' ' ' GLN . 83.8 t80 -77.5 152.51 34.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.825 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HA ' HD21 ' A' ' 32' ' ' LEU . 33.4 t -59.08 99.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.242 0.544 . . . . 0.0 111.43 -177.365 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -90.48 -47.77 7.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -169.3 120.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.576 175.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.14 101.61 5.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 41.9 tt0 -78.03 -56.24 1.08 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.708 -177.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 15.7 Cg_endo -56.93 118.92 5.86 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.106 1.871 . . . . 0.0 111.626 179.293 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -165.2 0.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.524 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HE3' HD21 ' A' ' 72' ' ' LEU . 38.7 mmtm -84.88 -59.65 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.5 176.415 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.25 -5.88 6.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.31 0.576 . . . . 0.0 110.694 172.559 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -91.36 87.36 6.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.47 -173.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -101.58 -171.77 2.04 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 173.493 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.447 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 78.2 t80 -132.59 137.95 47.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.992 0.425 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.534 HH21 ' HB2' ' B' ' 434' ' ' ARG . 29.8 ttm180 -88.97 119.89 29.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 58.6 tptt -97.87 133.63 42.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.781 -176.56 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -100.25 126.54 46.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 175.271 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.89 178.27 5.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.7 p -140.88 103.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.524 0.678 . . . . 0.0 109.462 172.402 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' H ' HG21 ' A' ' 62' ' ' VAL . 34.5 tp -88.5 97.27 10.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.109 -173.444 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 42.79 63.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 124.342 1.026 . . . . 0.0 112.24 177.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.94 -89.61 0.2 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.344 -1.408 . . . . 0.0 114.418 177.336 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' C ' HG23 ' A' ' 56' ' ' VAL . 15.3 pt-20 -101.13 154.8 18.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.618 0.247 . . . . 0.0 110.519 -172.467 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -69.44 128.3 36.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.282 0.563 . . . . 0.0 110.41 -179.407 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG21 ' H ' ' A' ' 57' ' ' LEU . 2.2 t -112.5 143.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.794 -174.807 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 11.4 mm100 -112.15 119.14 37.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.864 -177.432 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -109.12 116.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.38 0.609 . . . . 0.0 109.659 177.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 26.1 t0 -95.4 120.66 36.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.149 -176.734 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.27 143.49 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.014 0.435 . . . . 0.0 111.331 -171.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.521 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 59.6 tp -122.85 112.99 18.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.306 172.776 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -91.04 115.73 28.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -86.48 134.2 33.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 111.776 -173.568 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 150.66 25.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.671 176.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.74 51.99 4.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.888 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.579 HD21 ' HE3' ' A' ' 47' ' ' LYS . 1.5 pp -158.41 169.08 25.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -177.476 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -102.81 -13.7 16.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.963 175.343 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' HD11 ' A' ' 72' ' ' LEU . 2.0 m-20 -44.01 -70.2 0.11 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.146 -0.934 . . . . 0.0 113.431 -176.026 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.0 m-85 -61.24 -20.12 62.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.698 -170.608 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.21 -65.91 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.873 1.358 . . . . 0.0 112.689 176.595 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.959 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.57 -31.34 24.21 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.264 1.026 . . . . 0.0 112.351 -176.673 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.595 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 50.9 mt -67.18 -32.99 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.973 0.416 . . . . 0.0 110.209 178.818 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -94.61 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.433 178.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -46.68 21.69 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -170.199 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.959 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 27.6 m-80 -71.89 -22.63 61.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -172.619 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -82.13 -30.97 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.633 ' HB2' HG22 ' A' ' 114' ' ' VAL . 17.8 m-30 -65.57 -15.39 62.67 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -172.799 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -53.47 -53.56 49.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.726 0.298 . . . . 0.0 111.393 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -94.26 43.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.649 0.738 . . . . 0.0 109.761 176.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.59 157.61 21.34 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.118 178.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -121.02 -81.42 0.64 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.14 146.04 16.07 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 -179.34 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.82 135.68 51.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.345 -176.715 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 124' ' ' LEU . 90.7 mt -102.1 117.12 34.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.807 175.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD22 HD22 ' A' ' 123' ' ' LEU . 64.5 mt -86.79 106.76 17.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.849 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 27' ' ' LYS . 26.9 m -102.13 121.89 53.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.187 0.518 . . . . 0.0 111.334 -176.521 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.744 ' HA ' HG12 ' A' ' 25' ' ' VAL . 10.4 p90 -143.33 151.28 40.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.839 176.165 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 t -110.82 145.02 38.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.178 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.66 11.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 135' ' ' ARG . 18.1 p -104.91 -23.44 12.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 173.179 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -96.79 107.13 19.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.2 -176.001 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -67.08 -27.78 67.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.06 -50.51 68.95 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.138 174.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 22.0 m -64.35 -36.18 83.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.384 -176.791 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.2 -49.36 72.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.719 0.295 . . . . 0.0 110.599 -179.319 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -69.28 -27.85 65.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.243 0.544 . . . . 0.0 110.684 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.23 -15.38 61.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.358 -178.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -55.28 -48.83 73.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.58 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.391 176.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -43.05 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.0 m-85 -58.13 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.289 176.517 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.994 -178.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -36.16 82.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.589 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.3 mt -65.93 -47.34 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.583 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.7 mp -69.78 -12.95 62.03 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -76.23 -32.96 59.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.676 0.274 . . . . 0.0 110.309 177.342 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 83' ' ' PHE . 29.2 m -107.94 -26.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.725 -178.738 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.876 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 9.4 mtmt -118.9 106.63 12.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 178.159 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.57 22.91 0.23 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.92 10.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.274 -169.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.876 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.27 -78.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.615 -175.159 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.476 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 38.6 t70 -155.99 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.548 179.026 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -134.27 154.41 51.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.676 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 115' ' ' LYS . 42.3 mt -127.88 98.99 26.45 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.83 0.348 . . . . 0.0 110.734 -175.457 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.43 123.76 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.517 2.811 . . . . 0.0 112.5 178.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.613 HD22 HD22 ' A' ' 91' ' ' LEU . 6.6 mp -116.98 135.57 53.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.204 177.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -117.63 121.41 40.83 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.283 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 91' ' ' LEU . 16.5 t -81.87 120.38 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.222 -178.543 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.35 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.632 -176.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.77 101.29 2.03 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 179.386 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.17 129.97 35.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.011 0.434 . . . . 0.0 111.353 -176.357 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt 69.85 50.56 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.396 174.499 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -63.72 -12.13 31.97 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 167.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -53.85 -22.61 10.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.13 170.536 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.421 ' HB2' HD13 ' A' ' 95' ' ' ILE . 36.3 mt -92.05 87.25 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 177.254 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 -37.8 13.03 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.287 0.565 . . . . 0.0 110.046 176.044 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.719 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.5 pt-20 -82.3 -18.04 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.119 -175.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.719 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 81.6 mtp180 -111.59 8.52 20.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 -174.834 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -58.66 114.23 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.768 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.51 -41.42 13.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.38 126.01 30.59 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.074 -177.16 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.83 119.39 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.557 2.172 . . . . 0.0 111.017 175.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -71.29 -16.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.078 -174.039 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.25 -49.73 73.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.638 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.85 -11.37 59.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 110.915 -178.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -83.8 -45.86 12.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.425 176.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 23.5 mtm180 -58.96 -38.58 79.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.138 0.494 . . . . 0.0 110.441 174.509 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -57.98 -28.11 64.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.952 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -67.22 -48.55 67.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.74 88.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.451 176.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.33 -45.78 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.006 176.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.76 -41.69 91.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.308 179.493 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -85.83 -0.86 56.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.456 -174.327 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.71 38.01 61.26 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.776 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.8 -171.18 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.623 0.249 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -110.75 160.66 16.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.029 0.442 . . . . 0.0 111.211 179.429 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.472 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 37.6 t80 -125.7 123.24 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.68 175.776 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.93 125.41 73.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.566 -178.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.79 127.4 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.8 p -124.85 142.72 51.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.852 -176.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 m -135.82 108.21 7.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.221 176.671 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.14 60.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 178.477 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.564 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 7.9 p -127.75 3.54 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.146 -178.364 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 56.21 39.28 30.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.226 -177.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.44 131.3 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.335 -176.257 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 70.23 6.48 5.8 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.078 0.861 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.5 -33.35 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.19 0.519 . . . . 0.0 110.051 178.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.51 -47.66 82.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.831 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.26 -52.11 67.06 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.157 -170.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 23.8 m -53.26 -35.51 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -76.28 -54.06 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.706 0.289 . . . . 0.0 111.589 178.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.16 -38.24 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.751 -175.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.56 -48.85 75.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.222 -177.638 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.02 -34.53 78.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 56.4 mtm -64.05 -31.03 72.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.284 178.136 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -67.06 -46.55 73.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.563 175.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.543 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.5 mm-40 -52.36 -42.54 64.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.702 176.096 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.5 -40.38 58.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -71.29 -40.99 70.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 -177.699 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.9 m -59.78 -42.01 92.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.511 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.6 mptt -63.94 -49.93 70.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.824 177.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -60.26 -35.85 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.033 -178.085 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.201 -178.592 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.359 0.6 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.05 -27.75 69.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.944 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.0 -56.17 25.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.529 -178.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.08 -36.34 92.78 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.235 -179.325 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.627 ' O ' HG13 ' B' ' 402' ' ' ILE . 35.2 mm -56.23 -54.88 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.027 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.54 -42.59 88.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.695 -177.009 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.69 -45.58 89.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.081 0.467 . . . . 0.0 111.038 -179.183 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 16.2 mt-10 -79.7 -24.8 41.46 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.49 -176.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.711 HG12 ' HG ' ' B' ' 439' ' ' LEU . 63.2 mt -59.15 -52.85 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.894 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.08 -29.46 69.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -62.86 -46.22 88.89 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' B' ' 436' ' ' LEU . 33.1 mm-40 -72.92 -41.56 64.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -178.388 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.73 -36.47 78.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.518 177.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -62.26 -50.2 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.206 174.147 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.536 ' O ' HD21 ' B' ' 412' ' ' LEU . 73.6 mt -57.01 -48.41 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.678 HD13 HG11 ' B' ' 432' ' ' VAL . 16.2 tp -65.08 -44.61 88.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.448 -178.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.21 -42.69 77.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.784 177.642 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 36.9 m -59.23 -53.77 54.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.536 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -58.33 -43.12 88.1 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.49 177.029 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.439 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 6.7 m-70 -59.04 -47.3 85.73 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.5 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 57.4 mtt180 -76.88 -43.83 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.186 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -47.42 82.07 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.485 0.659 . . . . 0.0 111.452 -175.546 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' B' ' 425' ' ' LYS . 5.6 mp -64.58 -24.87 67.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.842 -171.067 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.5 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 52.4 mt-30 -56.28 -27.03 53.97 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.686 0.279 . . . . 0.0 111.19 179.12 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.65 -8.91 82.15 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.229 -176.485 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.69 -3.66 49.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.337 179.228 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.25 117.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' B' ' 425' ' ' LYS . 24.5 pttm -135.25 145.11 47.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.756 0.789 . . . . 0.0 112.083 -176.698 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.558 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.1 t70 -149.09 166.4 28.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.383 -1.281 . . . . 0.0 107.755 178.401 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.03 -30.96 70.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.498 0.666 . . . . 0.0 109.319 174.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.4 m -63.69 -44.89 92.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.269 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.639 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -66.76 -38.31 86.34 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -170.602 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.639 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.7 pt-20 -73.37 -40.81 64.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.244 -178.655 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 24.6 mm-40 -66.52 -48.14 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.203 175.735 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.55 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.0 mmt180 -60.62 -37.61 82.02 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.754 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 429' ' ' LEU . 2.3 mt -55.63 -53.95 50.17 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.481 0.488 . . . . 0.0 110.503 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.623 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 63.5 m95 -66.59 -38.22 86.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.76 -178.421 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.55 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 51.4 mt-10 -58.64 -56.66 19.3 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.949 -178.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.678 HG11 HD13 ' B' ' 409' ' ' LEU . 7.4 p -66.35 -32.37 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.227 0.536 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -55.57 -56.53 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 176.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.623 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.09 -26.72 63.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.39 -176.421 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.7 mt -64.55 -50.91 73.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.004 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.5 tm? -58.77 -46.06 88.37 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.288 -176.623 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.548 HG23 ' HA ' ' B' ' 434' ' ' ARG . 1.8 t -62.37 -45.41 93.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.273 -177.309 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.03 -38.39 88.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.201 0.524 . . . . 0.0 109.845 177.363 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.711 ' HG ' HG12 ' B' ' 402' ' ' ILE . 35.2 tp -66.98 -38.1 85.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.786 -178.581 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 9.5 mmmm -64.85 -37.71 88.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.002 0.429 . . . . 0.0 110.121 176.752 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.739 175.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.56 -31.2 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.152 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.641 ' HB2' HD13 ' B' ' 402' ' ' ILE . 61.8 tp -65.07 -48.36 74.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.261 175.452 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -5.51 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.346 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -100.93 -9.71 21.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.179 177.46 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -91.15 13.25 17.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.35 -178.181 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -130.01 124.59 33.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.566 178.091 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 46.0 m-70 -128.92 136.0 49.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 1.05 ' HE2' ' HB2' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -119.24 114.17 22.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.901 0.382 . . . . 0.0 110.583 179.697 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.36 127.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.897 -177.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.28 124.91 68.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.812 177.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 ttm -91.49 114.33 26.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -109.19 162.67 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.076 0.465 . . . . 0.0 111.591 -175.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.9 -155.45 26.73 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -83.28 -155.36 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -53.74 -59.76 9.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 177.373 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.59 -78.28 0.22 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.102 -1.046 . . . . 0.0 112.831 179.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t 72.86 -54.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.641 0.776 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.72 26.58 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.215 -179.113 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 28' ' ' SER . 18.8 ptpt -71.99 -54.33 10.27 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.298 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.496 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 25.6 m -64.98 -23.48 67.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.724 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.65 -39.04 70.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.809 178.428 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 128' ' ' ASN . 96.7 mt -63.12 -44.66 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -177.443 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -69.88 -34.49 73.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.016 -178.425 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.9 tm? -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.721 176.481 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.773 HE22 ' HA ' ' A' ' 39' ' ' PHE . 83.5 mm-40 -57.62 -39.2 76.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.736 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -72.08 -7.87 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.633 -175.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.651 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 62.0 mtm -118.42 -4.58 10.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.886 -0.509 . . . . 0.0 112.009 -178.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 46.2 m-85 -138.43 -37.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.468 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 21.4 t0 70.99 16.06 6.54 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.442 1.115 . . . . 0.0 109.156 -170.684 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -122.26 151.18 41.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.423 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.773 ' HA ' HE22 ' A' ' 33' ' ' GLN . 53.9 t80 -80.25 126.6 31.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.422 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.675 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -61.75 124.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -175.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -102.49 -30.27 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.47 178.119 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.43 100.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -167.19 102.07 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.481 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.731 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 mm-40 -110.55 -46.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.835 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.731 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 6.1 Cg_endo -48.38 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.707 2.271 . . . . 0.0 113.186 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.1 p -151.2 11.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 179.076 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -73.3 -40.79 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.35 0.595 . . . . 0.0 109.756 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 -21.24 5.16 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.1 176.1 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -77.37 104.3 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.533 . . . . 0.0 111.022 -178.636 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB2' HE22 ' B' ' 433' ' ' GLN . 7.8 m -101.78 165.74 11.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.282 176.78 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HH ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -129.24 127.3 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 0.0 112.087 -174.03 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -81.31 110.78 17.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.711 178.3 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.651 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 45.3 tptt -104.5 125.46 50.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.48 179.291 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -107.55 125.61 51.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -133.5 150.38 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.47 117.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 171.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.95 96.89 6.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.472 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 41.54 77.93 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.445 1.091 . . . . 0.0 111.552 -176.549 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.65 -111.16 0.52 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.789 -1.196 . . . . 0.0 114.472 178.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.34 160.67 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.298 -169.274 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.69 112.32 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.059 178.66 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.521 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.9 t -107.6 151.5 9.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.197 -174.805 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -113.64 141.43 47.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.215 0.531 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 9.2 tt -150.61 114.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.229 175.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 1.05 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 5.3 m-20 -88.85 134.99 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.41 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 43.7 mm -107.31 130.57 59.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.945 0.402 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.434 HD22 ' CD2' ' A' ' 82' ' ' TYR . 34.5 tp -109.92 123.99 50.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.561 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 33.9 t70 -97.41 135.6 39.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.25 178.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.8 p -101.49 138.16 38.85 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.97 133.84 35.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 174.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.729 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -95.4 70.03 1.04 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.091 -178.27 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -147.51 167.01 25.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -176.689 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -91.85 -6.91 50.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.711 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.462 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -58.71 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.625 -178.388 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.524 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 7.6 m-85 -115.28 92.42 3.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.965 -175.197 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.615 0.721 . . . . 0.0 109.527 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.744 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.46 -6.84 46.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.533 177.615 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.6 mt -97.82 -37.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 0.0 110.119 175.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -91.84 -66.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.997 0.427 . . . . 0.0 111.264 -178.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.14 -49.96 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.951 -170.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.744 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 56.2 m-80 -69.33 -17.4 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.381 -172.664 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 2.1 m-85 -92.1 -11.74 34.89 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.643 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 114' ' ' VAL . 8.0 m-30 -77.97 5.73 9.22 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.505 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' HG2' ' OE1' ' B' ' 426' ' ' GLU . 2.0 mpt_? -87.96 -76.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.276 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.0 m -79.33 44.11 0.58 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.234 0.54 . . . . 0.0 112.036 -176.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.15 18.59 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.469 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.5 mt-10 -119.83 -62.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.158 0.479 . . . . 0.0 111.034 -176.676 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.34 127.26 7.84 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.022 -176.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -128.54 131.96 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 111.105 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.3 mt -104.66 122.46 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.198 177.144 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 mt -93.37 107.69 19.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.631 HG13 ' HB ' ' A' ' 126' ' ' VAL . 30.7 m -108.44 129.62 62.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.398 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -138.66 166.1 25.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.771 176.002 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 p -103.11 138.97 39.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.368 -179.028 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.515 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.59 9.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 111.499 -177.951 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.581 HG23 HD13 ' A' ' 132' ' ' LEU . 12.1 p -115.7 -11.2 11.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.713 0.292 . . . . 0.0 111.57 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -113.27 112.24 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.441 . . . . 0.0 110.425 -179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -74.63 -20.71 59.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.24 -52.21 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.274 175.409 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.6 p -70.38 -28.79 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.35 -50.02 75.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.486 176.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -68.26 -34.33 76.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.294 0.569 . . . . 0.0 110.814 178.333 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.24 -20.25 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.4 -176.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 60.1 p -55.21 -36.49 66.02 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.056 0.455 . . . . 0.0 111.437 -179.239 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.46 72.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.55 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.5 -34.84 79.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.21 -177.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -56.95 -42.12 79.53 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 176.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -68.31 -48.31 65.25 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.041 174.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.15 -39.49 66.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.922 -175.055 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -34.51 76.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.92 0.39 . . . . 0.0 110.216 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.06 -41.52 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 177.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.66 -27.46 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 176.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -66.74 -37.65 85.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.623 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.573 HG22 ' HB3' ' A' ' 83' ' ' PHE . 17.7 m -92.08 -12.08 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.545 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HG3' HG23 ' A' ' 114' ' ' VAL . 60.1 mttm -122.56 -115.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.739 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.36 -45.85 0.42 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.13 0.972 . . . . 0.0 112.747 -178.158 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.39 15.99 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 0.0 111.326 -178.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -108.07 -149.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 21.6 t0 -91.12 -80.03 0.35 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.289 -172.296 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.495 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.7 mptt -139.32 144.13 38.15 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 122.055 -0.403 . . . . 0.0 110.947 -179.202 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.4 mt -112.94 92.33 20.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 176.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.619 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 27.4 Cg_exo -61.79 104.98 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 178.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mt -105.23 144.05 32.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 125' ' ' VAL . 6.0 tp -147.51 121.61 9.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.5 t -89.85 115.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.282 -176.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.631 ' HB ' HG13 ' A' ' 92' ' ' VAL . 56.1 t -112.36 114.42 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.173 -177.603 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.53 117.13 4.41 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 177.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.5 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 8.2 p30 -107.95 170.55 7.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.048 0.424 . . . . 0.0 110.451 -179.35 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 14.0 mmmm 67.51 16.66 9.97 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.919 0.762 . . . . 0.0 110.719 -177.378 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.9 m -67.54 -6.28 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 111.15 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -3.54 32.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.029 174.876 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.581 HD13 HG23 ' A' ' 96' ' ' THR . 64.0 mt -71.69 -48.33 48.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.692 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 64.74 -75.69 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.682 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.42 -31.05 65.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.218 -173.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.571 ' O ' HG22 ' A' ' 96' ' ' THR . 64.4 mtt180 -82.29 1.65 35.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.852 -177.05 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.8 ttm105 -52.8 113.35 1.06 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.107 0.48 . . . . 0.0 110.187 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -91.65 -29.44 16.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.832 -174.514 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 95' ' ' ILE . 7.8 p -106.75 124.28 35.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.439 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 116.84 3.33 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.537 2.158 . . . . 0.0 110.554 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.692 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.51 -16.31 13.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.546 -169.635 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.509 ' OE1' ' HD3' ' A' ' 144' ' ' ARG . 5.5 tp10 -61.62 -47.48 85.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.384 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.29 -21.21 61.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 110.507 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.56 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.631 173.404 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 41.2 mtp180 -67.46 -34.28 76.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.634 175.414 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.0 t -60.76 -34.62 74.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.631 178.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.4 mmtt -65.01 -33.1 75.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.166 178.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -60.76 -41.73 96.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.888 0.375 . . . . 0.0 110.238 175.716 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.08 -36.06 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.965 178.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.23 -40.65 94.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.856 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -91.58 -11.55 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.193 -176.08 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.92 35.37 18.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 178.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.61 -175.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -105.66 155.42 19.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.198 175.688 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.479 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 91.3 t80 -123.14 128.56 50.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.769 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.14 129.59 50.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.191 -178.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.91 135.8 33.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.988 0.423 . . . . 0.0 110.056 176.34 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.712 ' HB ' HG22 ' A' ' 165' ' ' VAL . 43.6 p -124.85 129.56 50.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.207 -176.292 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.9 m -91.68 115.78 28.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.518 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -90.93 -24.65 20.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.149 -173.66 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -74.98 -21.91 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.0 p -123.4 -5.46 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 -176.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? 61.21 87.13 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 -178.652 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 165' ' ' VAL . . . -143.41 130.97 21.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.877 178.443 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 73.06 -15.14 0.55 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.813 0.845 . . . . 0.0 112.289 176.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.712 HG22 ' HB ' ' A' ' 157' ' ' THR . 25.6 t -59.81 -39.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.562 . . . . 0.0 110.78 -178.06 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 -38.02 85.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.33 -175.786 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.507 ' HG2' ' OD2' ' A' ' 171' ' ' ASP . 20.0 ttpp -65.49 -48.61 71.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.845 -169.735 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.84 -31.27 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.555 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.489 ' O ' ' HG3' ' A' ' 173' ' ' MET . 80.0 m-85 -67.92 -43.64 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 173' ' ' MET . 66.6 m-85 -69.78 -46.27 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.092 -178.418 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.507 ' OD2' ' HG2' ' A' ' 167' ' ' LYS . 46.0 m-20 -57.44 -46.39 83.63 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.314 0.383 . . . . 0.0 111.522 -178.117 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.7 tp -60.66 -30.86 70.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 19.9 mtt -62.39 -31.1 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -179.324 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER -71.71 -44.82 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.486 179.321 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 10.4 mm-40 -55.15 -50.96 67.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.292 -0.163 . . . . 0.0 111.432 173.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 172' ' ' LEU . 69.7 mt -56.14 -48.13 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 17.3 ptp180 -65.93 -29.12 69.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.654 -177.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.1 m -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.597 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 64.0 mmtt -68.38 -35.79 78.21 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.324 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 23.0 mmmt -66.98 -31.96 72.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -179.837 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 176.659 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 121.063 0.458 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.51 -28.93 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.499 -177.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.98 -56.05 18.94 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.222 0.326 . . . . 0.0 111.656 -177.682 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.2 97.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.194 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.551 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.1 mm -58.89 -50.56 79.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.805 179.376 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.26 -33.53 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.73 -176.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.4 mt-10 -62.52 -43.68 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 177.339 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.84 -32.36 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.105 179.088 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.578 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.3 mt -60.13 -47.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.852 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.66 -39.75 68.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 175.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 12.8 ttp180 -61.99 -47.49 84.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.049 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -73.76 -34.71 64.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.672 -177.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 60.0 mt-10 -61.44 -44.13 97.66 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.39 -51.68 67.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.859 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.0 mt -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.096 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.556 HD11 HG12 ' B' ' 432' ' ' VAL . 65.2 tp -71.85 -32.77 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.375 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -66.99 -41.34 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.147 0.499 . . . . 0.0 109.862 175.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.8 t -60.03 -53.45 57.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -55.99 -44.74 78.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 174.614 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.405 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 7.3 m-70 -61.37 -46.82 88.61 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -177.104 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -76.54 -36.23 57.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.582 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.13 -40.64 86.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -173.233 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 90.0 mt -63.38 -33.9 76.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -170.038 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.524 ' NE2' ' HA ' ' A' ' 75' ' ' TYR . 1.5 mp0 -64.92 -15.79 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.867 -179.362 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.12 -4.48 63.39 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.655 -178.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.73 35.68 5.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.214 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 74.6 mt -119.46 138.15 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.057 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -145.77 143.68 29.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.633 0.73 . . . . 0.0 111.854 178.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.673 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.9 t70 -149.4 159.48 44.25 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 169.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.33 -29.56 70.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.918 0.866 . . . . 0.0 109.108 175.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.2 m -65.37 -38.28 89.58 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.709 -178.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.68 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.0 OUTLIER -69.89 -29.35 66.53 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.165 -173.277 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.68 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 1.9 mt-10 -72.47 -47.9 45.13 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.312 0.577 . . . . 0.0 109.543 179.356 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.8 mm-40 -64.3 -40.44 95.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.586 176.728 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.575 ' O ' HG13 ' B' ' 432' ' ' VAL . 13.8 mmt180 -60.27 -41.67 93.77 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.121 178.839 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 20.1 mt -55.22 -49.39 72.07 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.276 0.36 . . . . 0.0 110.38 178.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 90.3 m95 -65.62 -45.89 81.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.198 179.052 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 50.2 mt-10 -57.35 -54.9 41.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.621 0.248 . . . . 0.0 111.575 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.587 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.7 p -64.49 -35.9 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.629 -172.823 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.77 -29.69 67.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -177.796 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -70.07 -35.21 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 177.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' B' ' 432' ' ' VAL . 2.8 mt -70.86 -42.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.488 175.538 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.473 HD23 ' HG2' ' B' ' 406' ' ' GLU . 3.2 tm? -55.74 -45.15 78.05 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.536 178.426 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.3 t -75.87 -36.29 59.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.016 -174.177 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.52 -38.64 84.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.107 0.479 . . . . 0.0 110.231 177.496 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.578 ' HB3' HG12 ' B' ' 402' ' ' ILE . 26.4 mt -68.16 -40.95 82.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.354 178.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 443' ' ' LEU . 38.5 mttp -66.77 -30.2 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.797 177.028 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.507 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 2.8 tmt_? -66.58 -45.41 79.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.4 mmmm -63.49 -26.19 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 177.375 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.8 tp -63.94 -42.5 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.493 174.388 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.41 -8.4 59.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 177.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 5.2 tp10 -83.84 -26.74 29.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.677 175.575 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.756 -179.218 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -92.95 11.41 27.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 0.0 110.397 178.735 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 92.6 mt -131.51 117.44 18.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.554 177.827 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' HD1' HD12 ' A' ' 176' ' ' ILE . 17.7 m-70 -123.09 142.86 50.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.652 -176.776 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG2' ' CD ' ' A' ' 87' ' ' GLU . 1.2 mmtp -123.12 118.15 27.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.711 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 66' ' ' ILE . 7.3 p -121.86 128.83 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.228 0.537 . . . . 0.0 109.696 175.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -106.09 129.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.631 -177.106 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.605 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 17.9 mmt -81.89 107.22 14.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.564 174.343 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.6 m -94.74 140.46 16.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 110.365 -177.313 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.445 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 157.92 158.49 9.01 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 49.6 m -101.1 -71.2 0.72 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -178.002 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.44 148.42 48.54 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 173.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.63 58.5 4.47 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.51 -177.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.98 -50.83 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 122.961 0.504 . . . . 0.0 111.234 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -177.24 30.64 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.503 176.883 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 53.0 pttt -79.64 1.41 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.573 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -117.67 -24.41 7.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 175.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.87 -53.96 13.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.261 -175.207 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 26' ' ' GLY . 7.4 mp -60.45 -33.53 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.648 0.737 . . . . 0.0 110.348 -179.197 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.612 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.44 -47.1 80.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.378 -173.551 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' HB ' ' A' ' 40' ' ' VAL . 7.3 tt -71.78 -28.09 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -175.365 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.589 HE22 ' HA ' ' A' ' 39' ' ' PHE . 10.7 mm100 -59.89 -45.76 91.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.19 0.519 . . . . 0.0 109.845 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -72.73 -32.1 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.638 177.368 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.433 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 44.9 ttm -66.22 -50.87 62.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.322 -178.89 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 41.5 m-85 -101.08 -82.82 0.46 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.671 179.177 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 27.4 t70 171.62 -46.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.815 0.697 . . . . 0.0 109.858 -179.865 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.85 -178.75 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.639 -178.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' HA ' HE22 ' A' ' 33' ' ' GLN . 59.9 t80 -75.11 136.5 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.408 -172.019 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' HB ' HD22 ' A' ' 32' ' ' LEU . 2.7 p -55.51 124.35 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.469 -179.07 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -97.45 -48.07 5.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.539 174.583 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.5 t70 -153.8 117.7 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.463 -176.1 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -167.88 93.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.561 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 39.8 tt0 -83.47 -51.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.333 -176.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 22.3 Cg_exo -65.19 105.54 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.981 1.788 . . . . 0.0 113.138 -175.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.466 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 10.5 p -136.59 36.6 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 168.484 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -85.53 -55.71 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.935 -177.449 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.34 21.94 7.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.76 0.79 . . . . 0.0 108.931 172.435 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.1 m-20 -100.2 92.54 5.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.977 -167.001 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -90.96 153.17 20.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.251 170.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -143.59 112.87 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.107 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.632 ' HD2' ' HB3' ' A' ' 63' ' ' GLN . 11.9 ttp180 -75.42 119.66 19.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.501 -173.596 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 35' ' ' MET . 46.2 tptt -101.26 127.11 48.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.942 -179.705 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.625 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 3.9 tmmt? -100.86 117.31 34.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.981 0.419 . . . . 0.0 110.343 178.643 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.13 154.15 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.402 -179.644 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG22 ' C ' ' A' ' 60' ' ' GLU . 9.6 p -112.15 133.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 173.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.444 HD11 ' NH1' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -132.93 103.4 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.769 -179.106 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 43.97 35.1 1.05 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.548 1.155 . . . . 0.0 112.277 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.0 -116.43 0.43 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.92 -178.027 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' HG22 ' A' ' 56' ' ' VAL . 14.6 pt-20 -106.71 167.38 9.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.148 0.179 . . . . 0.0 110.59 -174.928 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.625 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 41.6 mt-10 -73.86 112.91 10.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 109.854 179.132 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.532 HG11 ' HA ' ' A' ' 13' ' ' ALA . 59.3 t -106.48 147.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.062 -174.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.632 ' HB3' ' HD2' ' A' ' 52' ' ' ARG . 50.1 mt-30 -111.81 117.88 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.376 0.608 . . . . 0.0 110.43 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.1 124.07 72.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.142 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.65 132.37 47.37 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.612 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.2 mm -108.13 127.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.215 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 tp -98.71 115.37 28.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.138 176.212 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 10.9 t70 -92.53 138.82 31.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 175.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.0 p -109.13 147.8 31.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.92 -172.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.45 161.94 29.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.024 173.181 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -134.82 70.9 0.5 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.11 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.5 pt? -152.06 162.02 41.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -82.31 29.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.185 0.517 . . . . 0.0 111.144 -175.834 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m-20 -115.53 -74.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.506 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -79.74 74.84 6.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.836 -173.034 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.05 -19.12 60.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.289 175.515 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -70.87 -6.59 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.716 -177.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CE1' ' B' ' 413' ' ' HIS . 42.4 mt -95.05 -33.47 4.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -178.882 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.97 -64.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.112 0.482 . . . . 0.0 111.171 -176.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.13 -38.11 66.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.084 -170.233 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.547 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 2.8 m-20 -71.43 -17.64 62.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.576 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -97.58 -14.3 21.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.337 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.623 ' HB3' HG22 ' A' ' 114' ' ' VAL . 7.9 m-30 -60.65 -32.59 71.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.338 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -57.03 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.021 -175.414 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 8.0 m -90.28 22.86 3.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.945 0.403 . . . . 0.0 111.146 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.77 137.22 14.38 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.33 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.446 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 92.4 mt-10 -88.32 -70.08 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.683 0.277 . . . . 0.0 110.626 -179.58 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.57 147.25 17.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.196 -178.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -127.78 123.88 36.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.302 . . . . 0.0 110.589 -178.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' VAL . 85.2 mt -103.45 121.9 43.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.552 178.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.8 mp -94.17 107.9 19.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.38 129.15 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.057 0.456 . . . . 0.0 111.811 -177.211 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' HZ ' ' HH ' ' A' ' 154' ' ' TYR . 22.1 p90 -148.24 165.26 31.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.964 176.707 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -109.07 148.74 30.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.47 16.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.091 -178.59 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 132' ' ' LEU . 13.7 p -123.19 -2.86 8.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 176.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.25 111.59 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.578 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -78.04 -29.81 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.895 -173.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.53 -31.82 67.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.121 0.486 . . . . 0.0 110.429 -174.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 -28.24 69.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.701 175.436 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.3 -40.52 81.7 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.156 0.503 . . . . 0.0 109.652 175.624 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -63.94 -42.16 97.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.498 0.666 . . . . 0.0 109.761 174.331 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.74 80.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.398 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.618 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 10.9 p -58.54 -32.36 68.81 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.531 -178.86 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.2 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 110.461 177.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.64 -27.4 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.681 -178.235 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 14.3 m-85 -56.61 -42.3 78.52 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.633 179.667 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.504 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 ttt180 -55.36 -53.04 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.431 -178.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.25 -27.31 65.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.32 -36.34 71.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.09 0.472 . . . . 0.0 109.883 -179.081 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.575 ' HA ' HG21 ' A' ' 114' ' ' VAL . 64.1 mt -71.46 -33.96 51.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.201 177.057 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.7 mm? -58.91 -28.93 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.517 174.835 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -78.67 -44.89 22.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.255 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.623 HG22 ' HB3' ' A' ' 83' ' ' PHE . 30.9 m -76.88 -34.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.555 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.611 ' HB2' HD11 ' A' ' 121' ' ' ILE . 51.0 mtpt -98.9 -71.65 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.659 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.63 -80.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 177.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.68 28.18 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.011 0.434 . . . . 0.0 111.694 -170.166 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 6.6 mm-40 -81.92 -161.44 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.114 178.147 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 120' ' ' LYS . 1.8 p-10 -61.67 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 174.197 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.673 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 44.2 mmtm -146.81 -178.41 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.255 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 115' ' ' LYS . 67.8 mt -139.81 93.23 9.61 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.519 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.4 ' HB2' HD13 ' A' ' 172' ' ' LEU . 2.8 Cg_endo -86.74 126.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.592 2.861 . . . . 0.0 112.607 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.15 145.38 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.047 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 125' ' ' VAL . 4.2 tp -136.71 117.92 14.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.274 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.419 ' N ' HD13 ' A' ' 124' ' ' LEU . 9.1 t -87.34 118.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.884 -177.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.47 109.89 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.565 -175.381 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.73 113.57 3.8 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 177.18 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.453 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 6.5 p30 -109.69 176.2 5.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.884 0.342 . . . . 0.0 110.967 -176.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 33.6 mmtp 69.17 31.31 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.858 0.724 . . . . 0.0 110.376 -178.282 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 m -58.19 -12.4 3.53 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -177.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.72 -14.06 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.654 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.2 mt -85.35 41.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.808 179.761 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.14 -26.1 67.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -176.183 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -101.37 -10.07 20.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.997 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.3 mtt180 -107.48 -3.53 19.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.609 -178.22 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.524 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.1 ttm180 -53.31 117.72 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.639 179.603 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.547 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 6.0 tp60 -107.52 -22.45 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.513 178.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 6.1 p -107.17 118.94 52.57 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.742 172.634 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.507 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 48.7 Cg_exo -55.42 115.72 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.783 2.322 . . . . 0.0 111.485 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.662 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -70.21 -25.21 27.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.933 -176.384 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.74 -50.5 73.01 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.314 -178.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.7 pt-20 -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.375 -179.723 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.81 77.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.352 176.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.692 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 27.7 mtm180 -64.05 -40.14 95.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.501 175.386 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 22.7 t -67.59 -20.34 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.023 179.424 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 54.4 mmtt -71.1 -41.91 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.748 175.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.592 ' HB1' HG21 ' A' ' 152' ' ' VAL . . . -61.61 -36.09 79.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 109.403 172.772 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 145' ' ' SER . 32.6 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.107 177.045 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 145' ' ' SER . 42.3 mt-10 -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.25 -179.304 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.3 -13.01 50.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.59 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.96 26.45 37.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.429 179.365 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.592 HG21 ' HB1' ' A' ' 147' ' ' ALA . 17.0 m -121.48 -175.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 178.916 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -105.83 162.67 13.35 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.619 178.394 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.692 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 66.0 t80 -130.16 122.35 28.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.602 176.538 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.09 123.0 59.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -84.42 129.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -131.97 156.66 45.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.366 0.603 . . . . 0.0 111.675 -172.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.3 p -138.44 102.93 4.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.764 173.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.573 ' HA ' HG22 ' A' ' 165' ' ' VAL . . . -60.82 -18.7 57.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.69 -177.512 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -67.6 -18.71 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.294 -178.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.9 t -141.06 10.37 2.15 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.113 0.483 . . . . 0.0 110.617 178.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 61.63 25.91 15.7 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.582 178.128 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -72.25 109.52 6.05 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.679 178.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 70.31 4.16 4.77 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.025 0.828 . . . . 0.0 112.207 176.543 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 159' ' ' ALA . 97.1 t -71.2 -47.43 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 -176.062 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.93 -36.8 82.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.471 . . . . 0.0 110.52 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.39 -50.99 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.01 -176.47 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -57.89 -26.96 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -175.525 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -74.24 -56.44 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.128 175.141 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.7 m-85 -61.41 -41.84 97.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.617 -175.205 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -51.11 70.7 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.416 179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 122' ' ' PRO . 41.1 tp -65.18 -34.61 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.389 0.614 . . . . 0.0 109.955 179.755 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.2 mtp -64.08 -29.66 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.519 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 6.9 mmm180 -70.8 -39.46 73.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.834 -0.167 . . . . 0.0 110.574 -179.684 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.22 -37.0 76.42 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.693 176.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.459 HD12 ' HD1' ' A' ' 15' ' ' HIS . 70.6 mt -57.21 -32.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.0 0.429 . . . . 0.0 110.73 179.579 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 181' ' ' MET . 73.7 mtt180 -67.06 -52.25 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.183 176.717 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.8 m -63.79 -36.54 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.886 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.673 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.5 mptt -63.64 -49.14 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.795 179.454 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -74.69 -18.92 60.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -176.278 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 60.0 mtt . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.413 . . . . 0.0 110.07 175.202 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.449 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.3 m . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 121.158 0.504 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.44 -30.58 67.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.076 -179.753 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.62 -52.39 65.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.725 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . 0.581 ' HA2' ' HG2' ' B' ' 400' ' ' GLU . . . -68.38 -31.06 73.63 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.22 -179.583 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 394' ' ' THR . 44.9 mm -63.46 -48.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 0.0 110.086 175.745 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' B' ' 402' ' ' ILE . 97.4 mttt -64.06 -43.69 94.71 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.672 -178.389 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.581 ' HG2' ' HA2' ' B' ' 397' ' ' GLY . 12.1 pt-20 -66.95 -32.56 73.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.817 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.652 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 9.0 tp10 -69.82 -42.22 73.96 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.553 ' HA ' HD23 ' B' ' 439' ' ' LEU . 89.7 mt -53.07 -51.42 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 174.316 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.416 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 31.5 mmt180 -57.02 -42.99 81.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 178.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.652 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 49.8 ttt180 -59.92 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 80.3 mm-40 -73.42 -27.22 61.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.934 -177.042 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 33.8 mt-10 -59.58 -43.19 93.72 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.032 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.58 -45.52 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.042 0.448 . . . . 0.0 111.06 -178.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.9 tm? -63.77 -43.95 94.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.606 176.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 48.9 t30 -56.41 -43.74 79.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.194 178.084 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.0 t -60.11 -55.85 28.86 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 -179.148 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.535 ' HB3' HD21 ' B' ' 429' ' ' LEU . 3.2 mm? -55.0 -37.07 66.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.007 0.432 . . . . 0.0 111.055 176.771 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.0 m170 -66.94 -40.39 87.57 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.671 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 36.0 mtp180 -78.64 -49.29 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.598 -178.401 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -62.98 -35.15 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.932 -175.09 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.547 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -84.65 -25.92 28.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.77 -179.209 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.7 tt0 -59.26 -25.44 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.672 0.389 . . . . 0.0 111.708 -175.086 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.17 -11.15 70.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.506 178.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 120.97 -20.41 8.59 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.189 178.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.8 mt -80.02 117.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.684 0.278 . . . . 0.0 110.67 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.484 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -136.38 162.58 32.64 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.032 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.725 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 13.6 t70 -147.02 155.39 42.2 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.533 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.07 -23.86 67.29 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.364 -174.849 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.7 m -68.42 -36.06 78.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.437 0.637 . . . . 0.0 109.446 174.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.725 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 23.7 mttm -74.13 -39.39 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.974 -177.455 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.72 -44.88 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.185 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 8.6 mm-40 -66.52 -39.79 88.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.598 175.659 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.43 ' O ' HG23 ' B' ' 432' ' ' VAL . 0.4 OUTLIER -60.18 -40.41 89.89 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.272 177.796 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' B' ' 412' ' ' LEU . 12.2 mt -58.71 -50.57 73.4 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.205 -179.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.441 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 72.9 m95 -64.35 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.183 0.302 . . . . 0.0 110.876 177.187 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 48.1 mt-10 -65.08 -55.62 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.645 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.529 ' HA ' HD13 ' B' ' 435' ' ' ILE . 2.2 t -62.36 -36.02 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.816 0.817 . . . . 0.0 109.038 179.623 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -56.62 -57.02 14.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.084 -1.417 . . . . 0.0 111.818 178.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.606 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 3.7 ptm180 -60.52 -28.16 68.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.899 -177.149 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -71.4 -49.2 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.336 177.67 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.436 HD12 HG23 ' B' ' 402' ' ' ILE . 26.1 tp -63.12 -41.15 99.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.1 t -65.88 -39.74 90.94 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.15 0.5 . . . . 0.0 110.032 179.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.15 -37.57 81.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.134 176.391 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.9 mp -61.69 -40.44 94.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.744 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -60.21 -42.7 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.12 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -45.96 90.37 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.927 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -59.17 -32.65 70.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.395 -179.765 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 443' ' ' LEU . 0.5 OUTLIER -62.81 -45.98 90.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.182 0.515 . . . . 0.0 109.925 176.602 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -80.85 -4.61 55.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.286 -179.519 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -96.84 -9.99 27.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 -178.226 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.32 179.705 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD11 ' HD3' ' A' ' 180' ' ' LYS . 74.9 mt . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.41 13.23 0.87 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -155.29 130.26 9.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.699 0.285 . . . . 0.0 110.327 -178.01 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.538 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 50.3 m-70 -138.06 136.53 36.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.816 177.017 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -106.43 106.85 17.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.337 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.84 137.42 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.489 178.195 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.21 120.56 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.646 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 43.3 mtt -86.56 139.06 31.21 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 172.443 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 91' ' ' LEU . 23.1 m -110.09 170.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.327 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.26 150.74 5.51 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.927 178.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -80.05 94.93 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.362 0.601 . . . . 0.0 109.893 176.646 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.61 -83.52 0.71 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.7 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.01 -43.24 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.293 177.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 93' ' ' PHE . 58.2 t 70.14 -58.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 123.526 0.73 . . . . 0.0 111.208 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.23 22.93 0.06 OUTLIER Glycine 0 C--N 1.313 -0.698 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.052 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 1.012 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 86.7 tttt -66.43 -60.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.67 -0.765 . . . . 0.0 111.81 -174.227 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.426 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 44.1 m -59.72 -22.5 62.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.809 -177.38 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.27 -49.0 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.234 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.7 mt -73.52 -32.93 64.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -175.415 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.1 p -66.12 -47.38 74.33 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.055 -178.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.14 -33.64 73.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.428 179.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.471 ' HB2' HG11 ' A' ' 165' ' ' VAL . 18.3 mm-40 -59.43 -45.01 92.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.545 176.15 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -72.24 -28.63 63.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.317 0.58 . . . . 0.0 110.677 179.381 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtp -78.01 -59.62 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.067 -176.255 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 38' ' ' GLU . 47.1 m-85 -114.37 3.12 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -173.18 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 30.9 t70 74.07 -19.32 0.36 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.278 0.631 . . . . 0.0 112.074 177.216 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 36' ' ' TYR . 71.4 mm-40 -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.087 0.47 . . . . 0.0 111.388 -178.023 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -75.8 147.75 38.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.182 -179.202 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.36 108.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -178.303 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.08 -54.21 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.172 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -155.24 90.44 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.276 178.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -153.25 102.56 2.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.4 mm-40 -105.07 -49.53 0.12 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -174.814 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.65 101.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.545 2.163 . . . . 0.0 113.808 -176.685 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.54 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -155.27 52.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.611 177.028 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -73.23 -59.55 2.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.123 -174.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.61 -48.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.436 0.636 . . . . 0.0 110.528 176.635 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.29 136.4 36.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.165 -175.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.4 m -126.81 -172.66 2.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.016 178.397 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -114.86 144.73 43.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.597 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 39.4 ttm180 -93.18 146.45 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 110.303 -178.475 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -118.92 133.59 55.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.684 -178.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -97.84 127.36 43.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 171.636 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.43 144.54 32.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 175.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 60' ' ' GLU . 10.2 p -111.6 105.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.776 0.798 . . . . 0.0 109.504 174.836 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 99.3 11.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 178.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 77.09 -39.62 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.57 -1.196 . . . . 0.0 113.145 175.59 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.61 -68.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.39 -170.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' HG21 ' A' ' 62' ' ' VAL . 9.8 pt-20 -92.62 138.65 31.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.184 0.492 . . . . 0.0 111.153 -171.586 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -68.76 110.85 4.52 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 170.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 60' ' ' GLU . 6.9 t -106.87 151.94 8.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.824 -174.323 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.597 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 47.6 mt-30 -110.54 116.98 32.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.325 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.551 HD13 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -106.61 111.89 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 CA-C-O 121.886 0.85 . . . . 0.0 109.144 178.152 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.525 ' HB3' ' CE ' ' A' ' 16' ' ' LYS . 16.3 t70 -90.22 125.87 35.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.064 -175.735 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 50' ' ' SER . 38.2 mm -106.63 145.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.35 -171.052 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD23 ' CZ2' ' B' ' 430' ' ' TRP . 52.2 tp -127.35 104.05 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 177.312 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 1.012 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 15.5 t70 -97.45 144.53 27.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.468 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -133.82 140.48 46.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -165.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.05 94.14 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 169.575 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.58 77.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.721 -177.714 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -142.74 172.13 13.11 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.477 0.179 . . . . 0.0 110.579 179.865 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.45 -19.63 61.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.854 -171.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.465 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.2 m-20 -68.36 -69.4 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.563 0.697 . . . . 0.0 111.101 -178.394 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' HB3' HG13 ' A' ' 78' ' ' ILE . 55.3 m-85 -84.17 65.29 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.319 -174.567 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.72 -28.93 70.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.143 178.289 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.88 -6.3 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.525 -179.078 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.6 HG12 ' CE1' ' B' ' 413' ' ' HIS . 30.8 mt -98.95 -27.42 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.601 179.171 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -92.41 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.67 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.664 -170.398 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.26 -17.64 63.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.824 -172.347 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' B' ' 409' ' ' LEU . 0.0 OUTLIER -87.04 -12.42 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.293 -175.642 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -74.43 2.65 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 178.169 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 3.5 tmt_? -62.19 -63.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.101 -176.005 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.508 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.0 t -95.12 44.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.324 0.583 . . . . 0.0 110.515 -175.168 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.72 133.41 11.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.969 179.1 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.0 mt-10 -89.51 -70.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 110.045 -179.8 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.26 139.65 14.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.215 -178.214 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -123.2 137.68 54.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.6 . . . . 0.0 111.454 -176.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 87.9 mt -111.26 116.55 31.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.183 178.167 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.773 HD13 HG22 ' A' ' 125' ' ' VAL . 38.0 mt -87.68 107.39 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.519 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.7 t -108.45 127.57 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.93 -175.383 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.596 ' HA ' HG12 ' A' ' 25' ' ' VAL . 5.7 p90 -146.71 158.83 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.863 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.57 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 8.8 p -100.21 141.91 32.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.676 0.274 . . . . 0.0 110.496 177.462 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.513 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.79 24.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 112.225 -175.512 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.42 HG23 HD13 ' A' ' 132' ' ' LEU . 36.5 p -121.61 -31.53 3.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.983 0.421 . . . . 0.0 110.541 174.489 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.57 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 10.6 mm-40 -94.12 99.36 11.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.392 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -74.54 -19.7 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.017 -175.724 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.99 -43.39 95.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.502 176.06 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -64.06 -33.99 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.338 177.31 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.57 -17.18 63.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.364 0.602 . . . . 0.0 110.835 176.645 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -89.7 -28.54 19.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.521 0.677 . . . . 0.0 109.709 175.845 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.21 -20.48 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.579 -179.047 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.629 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 2.5 p -62.08 -31.67 72.13 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 111.518 179.733 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.77 88.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.042 0.449 . . . . 0.0 109.937 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.36 -45.65 92.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.753 178.245 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 16.9 m-85 -57.51 -49.11 77.37 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.188 -179.424 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -56.31 -51.17 69.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.653 -179.166 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.79 -37.17 83.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.576 -179.364 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.94 -35.74 81.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.224 0.535 . . . . 0.0 110.081 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.3 mt -61.05 -40.11 84.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.964 178.597 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -77.94 -38.68 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.77 178.623 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -57.65 -41.39 81.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 111.556 -177.619 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.2 m -82.22 -8.83 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.82 -178.414 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 37.8 mtmm -138.38 -112.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.193 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.5 11.36 3.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.326 0.65 . . . . 0.0 111.412 -176.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -129.22 2.97 5.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.956 -176.297 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.35 -78.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.418 -177.295 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.426 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 27.1 t70 -156.98 -80.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.426 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.761 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 74.2 mmtt -144.44 136.27 25.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 110.437 -176.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.38 111.15 36.78 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.785 -177.296 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 83.6 Cg_endo -89.51 138.72 3.23 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 123.035 2.49 . . . . 0.0 112.445 176.134 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.01 133.33 49.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 111.249 -178.501 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 153' ' ' GLN . 7.7 tp -128.2 123.3 33.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.511 175.348 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.773 HG22 HD13 ' A' ' 91' ' ' LEU . 12.3 t -92.73 129.08 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.822 -178.715 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.25 124.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.538 -176.26 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.82 112.62 4.05 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.422 178.034 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -101.02 157.8 16.49 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.435 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 70.37 19.06 6.56 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.064 0.546 . . . . 0.0 111.559 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -59.89 -18.85 47.9 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.518 0.675 . . . . 0.0 109.95 177.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.55 -22.2 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.861 175.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.42 HD13 HG23 ' A' ' 96' ' ' THR . 92.0 mt -72.0 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.564 178.482 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 65.11 -67.37 0.13 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.61 0.764 . . . . 0.0 112.684 177.384 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.06 -34.46 78.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.036 0.446 . . . . 0.0 111.273 -177.772 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -92.3 17.09 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -177.679 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.7 113.7 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -177.6 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.55 -16.46 17.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.6 -178.218 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.73 111.34 64.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.715 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.2 Cg_exo -56.36 101.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.572 1.515 . . . . 0.0 109.636 172.364 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.8 -11.84 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.227 0.537 . . . . 0.0 110.725 -168.329 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.48 -42.64 78.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.583 175.001 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 11.2 pt-20 -72.12 -27.59 62.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.818 0.342 . . . . 0.0 110.368 -179.703 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.79 -42.74 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.2 0.524 . . . . 0.0 110.192 176.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 144' ' ' ARG . 11.2 mtp180 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.29 177.257 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.2 t -64.49 -45.53 86.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 175.689 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 62.5 mmtt -61.56 -33.02 73.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.432 -177.57 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -56.57 -47.73 78.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.411 . . . . 0.0 110.494 175.605 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.48 -32.85 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.419 -179.051 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -84.73 -19.64 32.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 110.614 -179.459 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.88 30.25 18.34 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.625 -179.099 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.02 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.088 0.47 . . . . 0.0 110.674 -178.827 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.641 ' HG2' HD12 ' A' ' 124' ' ' LEU . 9.3 pm0 -118.71 149.68 41.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.661 177.129 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.2 t80 -129.11 118.94 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 178.033 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.2 130.9 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.514 -178.273 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -90.09 138.37 31.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 36.1 p -128.75 143.51 50.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.168 0.508 . . . . 0.0 111.613 -175.719 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.61 108.76 12.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.422 172.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.23 -7.59 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 -176.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.95 -44.9 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 0.0 110.232 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.7 p -95.03 -6.22 42.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.588 -178.342 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 60.66 70.45 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.194 -175.704 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -134.52 133.44 40.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.577 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.46 15.29 10.06 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.497 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 33' ' ' GLN . 59.6 t -73.09 -56.28 10.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.778 0.323 . . . . 0.0 110.69 -178.303 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.83 -35.65 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.201 0.524 . . . . 0.0 110.763 178.725 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -53.76 -51.18 64.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.087 -176.67 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 165' ' ' VAL . 33.5 m -66.57 -28.24 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -174.722 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -75.37 -56.3 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.811 176.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -61.87 -35.15 77.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.55 -175.171 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.29 -51.71 68.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 110.572 -179.862 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.0 tp -65.24 -40.03 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 178.581 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.551 ' SD ' HD13 ' A' ' 64' ' ' ILE . 64.8 mtp -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.498 -179.859 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.71 -46.72 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.314 -0.155 . . . . 0.0 111.03 178.294 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.64 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.702 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 172' ' ' LEU . 68.8 mt -57.79 -30.61 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 181' ' ' MET . 56.6 mtm180 -59.97 -51.66 68.72 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.468 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.7 m -59.0 -39.3 81.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.032 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.761 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -64.96 -51.83 59.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.3 178.663 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.475 ' HD3' HD11 ' A' ' 12' ' ' LEU . 29.1 mtpp -70.53 -26.2 63.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.504 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.1 mtt . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.53 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -61.73 -31.84 72.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.138 -178.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -54.48 -55.16 31.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.075 -179.777 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.53 HG12 ' O ' ' B' ' 394' ' ' THR . 50.0 mm -60.28 -50.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.421 178.27 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.96 -34.22 77.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.208 -177.469 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.1 mt-10 -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 0.0 110.231 176.495 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 47.1 mt-10 -74.11 -33.51 63.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.293 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 398' ' ' ILE . 81.9 mt -57.86 -53.81 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.563 176.765 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 403' ' ' ARG . 43.7 mtp180 -61.94 -33.29 74.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.8 179.447 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 67.7 ttt180 -58.05 -50.48 73.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.9 177.426 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.609 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -76.51 -27.54 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 35.8 mt-10 -59.95 -47.67 84.83 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 173.339 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.29 -48.84 80.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.934 176.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.8 mt -60.26 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -177.529 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.415 HD13 ' OH ' ' A' ' 82' ' ' TYR . 35.0 tp -66.49 -37.36 84.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.468 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 -45.92 88.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.465 -179.72 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -60.77 -50.08 74.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.854 -178.79 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.401 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 92.9 mt -62.39 -31.65 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.147 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.6 ' CE1' HG12 ' A' ' 78' ' ' ILE . 7.0 m-70 -70.48 -48.32 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.989 177.499 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.79 -33.67 75.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.238 -179.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.2 -54.68 42.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.715 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 20.5 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.383 -179.116 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -21.93 65.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.991 179.379 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.29 -9.38 73.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.539 179.239 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 108.0 -1.39 33.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.542 179.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.715 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 26.0 mt -92.74 146.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.745 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.487 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -155.9 150.73 26.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.507 0.67 . . . . 0.0 111.397 175.148 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -149.21 149.08 30.41 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 171.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.496 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 2.7 pt? -61.22 -26.59 67.85 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.314 -177.099 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.0 m -65.29 -34.73 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 178.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -73.16 -42.4 62.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.496 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 26.4 mt-10 -60.05 -48.44 81.72 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.009 -176.503 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -69.41 -41.56 76.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.253 -178.27 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.514 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.4 tpt180 -67.34 -32.08 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.316 179.431 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.1 mt -56.42 -47.35 79.24 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.038 177.928 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.508 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 49.5 m95 -70.03 -35.61 74.43 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.546 178.411 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.472 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 51.2 mt-10 -63.25 -54.61 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.609 HG23 ' OE1' ' B' ' 405' ' ' GLN . 7.7 p -60.6 -35.15 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.548 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.29 -48.1 77.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.494 175.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.472 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 16.1 mtp180 -63.39 -35.31 80.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.254 179.157 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' B' ' 432' ' ' VAL . 28.9 mt -74.63 -45.5 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -178.079 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -56.92 -42.51 80.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.979 178.198 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 -35.5 63.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.79 0.328 . . . . 0.0 111.14 -177.668 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.36 80.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.284 0.564 . . . . 0.0 109.88 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -34.61 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.536 177.211 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.51 -35.88 80.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.94 0.4 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.14 -45.68 84.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.496 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.2 mmmt -58.5 -35.92 72.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.345 178.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.31 -48.31 78.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.708 0.29 . . . . 0.0 110.971 178.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -82.49 -1.96 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.27 0.557 . . . . 0.0 110.47 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.62 -24.88 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.925 178.893 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.563 179.954 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 180' ' ' LYS . 25.1 mt . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.898 0.38 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -0.73 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.014 -171.114 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.68 123.2 48.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.38 178.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.429 ' ND1' ' HG3' ' A' ' 173' ' ' MET . 47.1 m-70 -134.1 123.4 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 -177.145 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 15.6 mmtp -105.76 115.53 30.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.48 . . . . 0.0 111.399 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.84 116.02 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.096 179.346 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.763 -178.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HG2' HD12 ' A' ' 90' ' ' LEU . 90.5 mtp -95.41 108.52 20.73 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.619 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 35.1 m -104.8 160.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.813 -173.851 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.2 161.03 22.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.411 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -86.9 109.33 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.211 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 -102.48 1.11 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.6 -176.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.97 86.05 0.19 Allowed Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.233 178.387 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.9 t -88.16 41.6 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.734 0.778 . . . . 0.0 109.957 177.299 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.19 77.66 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.051 -179.565 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -83.29 17.04 2.21 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.876 0.338 . . . . 0.0 111.835 -174.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -117.78 -15.64 10.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.237 171.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.52 -54.56 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -176.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 HG11 ' A' ' 165' ' ' VAL . 80.9 mt -61.54 -32.79 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -65.29 -36.9 85.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.193 -178.05 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.2 tm? -74.32 -40.28 62.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.433 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.666 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.8 mm-40 -55.07 -50.71 68.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.161 176.47 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' HE2' HD11 ' A' ' 64' ' ' ILE . 49.9 t80 -73.21 -0.86 15.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.579 -179.604 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.39 -53.06 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.942 -0.474 . . . . 0.0 111.721 -177.531 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 38' ' ' GLU . 57.2 m-85 -116.62 8.2 13.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.337 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.9 m-20 73.24 -28.25 0.19 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.533 0.733 . . . . 0.0 112.492 176.174 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 36' ' ' TYR . 15.7 mm-40 -97.32 -178.69 4.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 -175.158 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.666 ' HA ' HE22 ' A' ' 33' ' ' GLN . 80.2 t80 -74.32 148.8 41.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.044 -174.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 32' ' ' LEU . 3.4 p -74.41 106.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.892 -176.855 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -90.03 -43.95 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.483 175.293 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -156.43 158.63 37.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.423 177.661 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 11.1 t80 -155.61 91.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.7 mt-10 -61.28 -56.46 33.88 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.59 -174.554 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 41.6 Cg_endo -68.14 103.22 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.629 1.553 . . . . 0.0 110.988 178.122 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -157.41 -22.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -171.807 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.95 -59.24 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.649 -178.032 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.89 -17.4 5.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.5 173.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 1.5 m-20 -81.62 143.99 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.334 -178.515 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 67.5 m -137.24 155.45 49.48 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.095 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 34.9 t80 -127.6 117.5 22.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 110.528 -174.268 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.67 161.71 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.391 -179.304 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 166.61 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.621 179.842 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -93.25 115.95 28.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 -178.634 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.3 147.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.11 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 61' ' ' GLU . 74.8 t -133.44 113.76 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.023 0.439 . . . . 0.0 111.428 179.496 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.3 mt -88.61 99.46 12.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 163.871 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -5.39 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.396 1.685 . . . . 0.0 113.734 -167.569 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.66 -79.52 0.2 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.478 -0.868 . . . . 0.0 113.204 -179.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.68 138.92 33.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.659 0.266 . . . . 0.0 111.237 -172.403 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' HA ' HG22 ' A' ' 56' ' ' VAL . 43.0 mt-10 -77.98 105.99 9.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.216 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.01 142.09 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -169.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -112.43 115.86 29.38 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.519 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 34' ' ' PHE . 12.4 tt -104.0 110.85 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-O 121.852 0.834 . . . . 0.0 109.329 179.658 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.581 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 21.1 t0 -95.59 109.54 21.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.947 -174.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 31' ' ' THR . 48.6 mm -109.12 121.97 63.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.31 -175.638 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.0 tp -97.87 121.86 40.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.375 -178.32 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -105.7 150.52 25.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 170.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 p -141.65 160.59 39.86 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -166.16 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.49 120.01 22.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.188 170.103 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.48 70.47 2.8 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.328 -176.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -155.63 168.8 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.688 0.28 . . . . 0.0 110.737 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.14 -18.73 31.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.754 -174.928 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 m-20 -55.48 -67.03 0.32 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.725 0.774 . . . . 0.0 110.596 178.459 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.511 ' HB3' HG13 ' A' ' 78' ' ' ILE . 84.3 m-85 -83.8 61.44 6.36 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.831 -178.644 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.63 -23.95 60.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.605 175.277 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.6 -6.16 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.62 178.491 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 75' ' ' TYR . 44.3 mt -101.14 -21.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.006 0.432 . . . . 0.0 110.025 176.372 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.93 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.794 179.483 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 8.0 t70 -62.4 -51.38 67.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.297 0.57 . . . . 0.0 111.345 -175.322 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' HB3' HD13 ' B' ' 429' ' ' LEU . 87.0 m-20 -68.58 -19.84 64.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.559 -170.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.33 -38.23 11.6 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.196 177.219 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.9 m-85 -54.8 -31.59 59.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.882 0.372 . . . . 0.0 111.572 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 29.5 mmt180 -52.57 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.975 -175.892 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.492 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.8 m -86.29 29.33 0.76 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.4 151.29 19.96 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.483 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -103.13 -74.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.411 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.69 148.02 18.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.226 -177.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -125.25 127.31 46.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.083 0.468 . . . . 0.0 111.411 -178.064 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 124' ' ' LEU . 73.8 mt -98.12 110.15 22.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.054 175.682 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 104' ' ' THR . 11.1 mp -92.19 106.99 18.89 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -108.02 134.95 48.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.982 0.42 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.682 ' HA ' HG11 ' A' ' 25' ' ' VAL . 29.9 p90 -142.54 147.65 36.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.92 178.062 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.5 t -83.96 138.13 33.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.701 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.614 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.89 -3.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.702 0.287 . . . . 0.0 111.749 -179.721 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.545 ' CG2' HD21 ' A' ' 132' ' ' LEU . 12.1 p -87.56 -17.6 31.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.28 171.076 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.744 -173.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.22 -25.82 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.343 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.96 -46.1 69.01 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.04 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.5 m -65.3 -31.15 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.275 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -62.59 -43.78 97.96 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 173.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -68.84 -27.75 66.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.7 62.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.899 -178.648 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.413 ' CB ' HD22 ' A' ' 91' ' ' LEU . 49.5 p -58.82 -33.97 70.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.781 177.366 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.94 84.12 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 177.305 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.77 -47.98 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.441 178.753 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.54 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.7 m-85 -58.27 -46.26 86.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.35 177.26 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.65 -51.03 68.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -178.516 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.14 -37.48 87.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.349 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.8 0.333 . . . . 0.0 110.212 178.707 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 107' ' ' PHE . 99.2 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.647 178.39 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 116' ' ' ALA . 10.6 mp -66.71 -37.41 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 178.576 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -61.35 -37.98 85.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.746 0.308 . . . . 0.0 111.313 -178.04 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.711 HG22 ' HG3' ' A' ' 115' ' ' LYS . 32.0 m -95.48 -3.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.712 -175.807 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.711 ' HG3' HG22 ' A' ' 114' ' ' VAL . 26.4 mtpp -133.99 -90.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.33 -0.231 . . . . 0.0 110.691 -177.748 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 112' ' ' LEU . . . 65.76 -61.05 0.27 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.508 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.51 36.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.813 0.445 . . . . 0.0 111.262 -173.544 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.6 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 4.5 mm-40 -99.69 -172.12 2.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.609 -173.73 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.59 -71.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.9 175.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -144.95 133.41 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.8 mt -111.73 101.5 51.36 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.36 179.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.51 123.55 2.97 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.276 2.651 . . . . 0.0 112.533 179.141 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.76 159.14 19.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.617 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.586 HD11 ' HG3' ' A' ' 153' ' ' GLN . 8.0 tp -150.62 121.33 7.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.613 174.37 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.431 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.3 t -97.47 117.82 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.537 -179.665 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 92' ' ' VAL . 22.8 t -109.78 132.33 58.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.874 -173.511 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.7 94.54 2.0 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.145 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -82.45 164.84 20.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.79 0.329 . . . . 0.0 111.347 -175.598 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 70.41 28.12 3.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.594 170.555 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -72.02 84.18 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.596 0.712 . . . . 0.0 109.505 178.064 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.5 ' OD1' ' HG2' ' A' ' 160' ' ' LYS . 13.5 t70 -154.87 -39.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.756 -176.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.604 HD13 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -60.68 -29.64 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.839 176.472 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 49.21 -68.83 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.448 1.499 . . . . 0.0 114.761 -177.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 132' ' ' LEU . 11.3 pt-20 -75.98 -22.63 55.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 118.086 0.403 . . . . 0.0 111.129 -170.829 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.434 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 99.7 mtt180 -83.78 12.18 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.248 -178.344 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.614 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 41.8 ttm105 -64.41 112.48 3.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.267 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -101.96 -11.55 18.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 -175.31 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.3 p -114.73 113.5 44.79 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.61 129.45 33.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.377 2.051 . . . . 0.0 111.397 177.297 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.62 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.8 t -60.26 -19.44 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.005 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.55 -56.3 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.051 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.3 -28.29 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -178.143 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.2 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 176.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.62 ' HG3' HG12 ' A' ' 140' ' ' VAL . 79.1 mtp180 -69.38 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.115 179.163 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -56.08 -56.77 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 174.818 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 149' ' ' GLU . 31.0 mmtm -59.4 -39.02 82.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.732 -178.904 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.08 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 175.537 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.95 -37.35 84.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.771 179.338 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 146' ' ' LYS . 42.0 mt-10 -64.02 -37.65 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 179.35 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -88.5 -7.06 57.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 -178.059 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.52 52.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.184 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.52 177.56 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.702 0.287 . . . . 0.0 111.147 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 124' ' ' LEU . 3.5 pt20 -98.81 161.4 13.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.826 178.198 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CE2' HG11 ' A' ' 140' ' ' VAL . 91.6 t80 -131.92 121.59 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 175.149 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.26 134.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.272 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.17 135.0 33.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 174.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 40.2 p -118.82 145.3 45.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.22 0.533 . . . . 0.0 110.873 -177.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.2 p -126.83 113.39 16.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.159 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.76 1.17 31.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.518 0.675 . . . . 0.0 109.728 176.386 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 131' ' ' ASP . 21.5 tptm -80.11 -68.74 0.65 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.206 178.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.0 p -93.7 0.23 56.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.301 -179.281 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 60.48 75.21 0.42 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.333 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.77 129.56 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.445 177.455 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 69.43 4.31 4.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.877 0.735 . . . . 0.0 111.794 177.869 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.423 HG11 HD21 ' A' ' 30' ' ' LEU . 95.8 t -65.18 -49.7 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -177.223 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.03 -23.42 58.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -177.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.85 -54.52 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.601 -176.927 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.33 -28.2 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.281 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -74.71 -48.03 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 177.164 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.61 -45.13 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.408 -178.576 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.8 70.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.749 -177.823 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.04 -36.16 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 -177.106 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.429 ' HG3' ' ND1' ' A' ' 15' ' ' HIS . 10.7 ttp -70.08 -31.3 68.82 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -178.836 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.714 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 6.6 mmt180 -63.95 -41.6 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.908 176.574 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -59.75 -32.35 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.132 177.249 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.3 mt -58.06 -36.49 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -178.602 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 20.6 ptt180 -68.11 -32.34 72.58 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 -179.036 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.0 m -70.55 -36.09 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -66.33 -39.17 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.194 175.192 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 66.2 mmtt -62.69 -54.64 36.3 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 110.768 177.334 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.958 -174.352 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.585 ' O ' HG12 ' B' ' 398' ' ' ILE . 51.3 m . . . . . 0 C--O 1.231 0.092 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 34.4 tt0 -55.01 -41.21 71.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.124 0.487 . . . . 0.0 110.221 178.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.14 87.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.314 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.44 94.78 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.019 178.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 394' ' ' THR . 37.9 mm -58.27 -55.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.128 175.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.61 ' HA ' HD13 ' B' ' 402' ' ' ILE . 52.4 mtpt -60.92 -42.09 97.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.91 -174.44 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.22 -39.21 93.49 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.295 -178.709 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.548 ' HB3' HD23 ' B' ' 439' ' ' LEU . 3.1 mm-40 -71.5 -36.9 71.26 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.523 175.703 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.674 HG12 ' HB3' ' B' ' 439' ' ' LEU . 97.1 mt -53.94 -54.21 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 172.739 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -62.77 -30.05 71.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -178.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.51 ' HD2' ' OE1' ' B' ' 401' ' ' GLU . 22.6 ttm180 -71.41 -44.73 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 178.393 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 83.6 mm-40 -71.41 -34.11 70.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.27 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.2 mt-10 -62.7 -40.17 96.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.211 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.16 -44.4 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.701 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.9 mt -60.63 -45.46 93.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.296 177.63 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 15.0 tp -65.2 -45.63 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 0.0 109.708 179.194 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -56.34 -52.43 64.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.217 178.007 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -40.05 96.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.906 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.54 HD12 ' HG ' ' B' ' 429' ' ' LEU . 0.5 OUTLIER -52.62 -50.72 62.53 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.196 0.522 . . . . 0.0 110.397 170.766 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 75.1 m-70 -67.83 -32.99 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.185 -177.415 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -75.71 -44.7 40.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -179.309 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.34 -46.44 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.483 0.658 . . . . 0.0 110.945 -177.139 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 69.7 mt -73.66 -25.77 60.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.914 -176.097 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 22.6 tt0 -54.11 -25.21 20.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.121 0.569 . . . . 0.0 112.233 -173.857 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.39 -5.17 85.44 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.252 -178.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.74 27.85 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.73 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 60.1 mt -99.58 131.48 46.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.557 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.425 ' O ' ' HD2' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -134.0 145.34 49.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.774 0.797 . . . . 0.0 112.41 -177.244 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.6 t70 -149.8 170.57 18.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.161 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.79 -29.9 66.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.482 0.658 . . . . 0.0 109.236 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 7.4 m -66.02 -39.48 90.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.53 -177.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.642 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.97 -38.98 89.95 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.066 -172.544 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.642 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.9 pt-20 -73.31 -40.48 64.47 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.782 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -63.24 -42.18 99.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 176.682 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.634 ' O ' HG21 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.56 -42.37 82.72 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.324 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 81' ' ' ASN . 7.5 mt -56.03 -51.82 66.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -178.24 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 77.9 m95 -65.48 -31.46 72.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 178.264 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.894 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 42.3 tt0 -65.85 -49.34 68.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 178.439 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.634 HG21 ' O ' ' B' ' 428' ' ' ARG . 37.7 t -57.39 -41.55 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.485 0.659 . . . . 0.0 109.414 177.093 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.622 ' NE2' ' HB ' ' B' ' 437' ' ' THR . 19.6 tp60 -56.77 -43.0 80.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.697 178.076 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.894 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 55.3 mtp180 -55.5 -51.73 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.408 0.623 . . . . 0.0 110.375 179.294 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' B' ' 432' ' ' VAL . 5.7 mt -64.65 -50.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.544 -177.323 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.578 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 23.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.559 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.622 ' HB ' ' NE2' ' B' ' 433' ' ' GLN . 5.6 t -66.39 -37.59 85.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -175.563 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.43 -35.97 76.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.36 0.6 . . . . 0.0 109.913 176.467 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.674 ' HB3' HG12 ' B' ' 402' ' ' ILE . 4.6 mp -65.94 -37.67 86.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.519 177.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 68.2 mmtt -59.05 -43.56 91.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.653 0.74 . . . . 0.0 109.336 175.349 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -62.85 -47.88 81.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.179 177.751 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.8 mmmt -65.57 -25.0 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.299 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.622 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.3 tp -62.3 -44.34 96.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.025 0.44 . . . . 0.0 110.178 172.723 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -81.99 -5.65 58.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 110.454 178.761 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' B' ' 442' ' ' LYS . 1.8 tp10 -80.73 -35.66 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.971 177.383 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.447 ' HB1' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.654 -177.351 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.707 0.289 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . 63.15 17.04 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.461 0.705 . . . . 0.0 112.801 175.05 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD13 ' HE3' ' A' ' 16' ' ' LYS . 30.2 tp -122.61 127.66 49.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.108 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 93.0 m-70 -137.46 138.72 40.05 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.949 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -130.36 127.03 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.467 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -136.47 140.48 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -120.2 137.69 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.2 mmm -88.65 124.72 34.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.808 179.211 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 HD21 ' A' ' 91' ' ' LEU . 28.8 m -105.26 143.83 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 111.104 -179.081 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.17 161.38 11.11 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.114 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 12.4 t -81.44 70.47 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.501 0.651 . . . . 0.0 110.323 -175.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 -67.4 3.51 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.708 177.009 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.561 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -79.3 -105.1 0.23 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 121.392 -0.433 . . . . 0.0 112.836 -178.064 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 25' ' ' VAL . 21.8 t 56.99 16.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 -176.722 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.68 32.65 25.26 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.531 -178.538 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 27.7 mtmm -68.13 -43.29 78.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -175.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.734 -174.608 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.94 83.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.987 -178.532 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.19 -41.97 63.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 -177.967 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.6 p -71.12 -31.34 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.039 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.2 -42.47 88.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.373 178.014 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 94.1 mt-30 -71.02 -26.52 63.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 0.0 110.968 178.179 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -72.76 -30.63 64.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 177.475 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.445 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.1 mtm -98.81 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.454 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -83.72 -26.22 29.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.001 -177.165 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.9 t0 68.3 21.21 8.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.511 -179.164 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.233 176.123 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -76.37 140.07 41.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.229 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.77 111.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.713 0.768 . . . . 0.0 112.298 -172.901 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -106.11 -39.64 5.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.528 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -149.38 96.22 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.057 176.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -167.89 91.29 0.33 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.713 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 6.6 mm-40 -103.96 -39.37 0.19 Allowed Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.559 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 3.9 Cg_endo -46.97 101.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.665 2.243 . . . . 0.0 113.194 179.112 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.592 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.05 39.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.104 176.549 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.31 -54.29 4.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.723 0.773 . . . . 0.0 108.979 -177.415 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.46 7.78 8.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.591 172.219 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.5 m-20 -79.39 121.37 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.157 -171.333 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.776 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 12.2 t -133.64 150.33 51.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.382 178.445 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -137.52 137.88 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.692 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -88.58 118.18 28.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.644 -178.122 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 60.8 tptt -103.14 128.19 50.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.607 -179.578 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -107.12 130.44 54.69 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.323 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.411 ' O ' HG21 ' A' ' 62' ' ' VAL . 14.2 m -132.29 145.95 33.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.785 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.5 p -100.97 104.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.788 0.804 . . . . 0.0 109.482 178.148 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 tp -96.74 108.43 21.08 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.017 -175.113 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 73.63 -29.56 0.2 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.183 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.22 -42.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.805 -1.188 . . . . 0.0 113.784 -178.338 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.02 149.02 24.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.457 0.629 . . . . 0.0 111.081 -178.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.0 mt-10 -81.78 122.09 27.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.555 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -107.09 149.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.923 -177.187 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.83 117.77 32.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 110.922 -178.211 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.553 HD13 ' SD ' ' A' ' 173' ' ' MET . 18.5 tt -114.68 139.46 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 -178.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.949 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 51.9 t0 -108.47 116.88 32.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.484 -176.02 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.9 mm -109.07 126.93 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.28 -171.758 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CH2' ' B' ' 430' ' ' TRP . 3.0 mt -131.04 126.29 35.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.249 0.547 . . . . 0.0 111.312 173.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' OD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 t0 -100.58 145.46 28.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.549 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 p -124.41 151.6 44.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.302 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.53 111.2 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.379 171.453 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -83.43 63.66 4.43 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.731 -176.056 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -129.75 168.03 17.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.682 0.277 . . . . 0.0 110.977 -179.653 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.2 -12.41 54.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 72' ' ' LEU . 8.4 m-20 -64.9 -78.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.345 -177.632 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.486 ' H ' HD11 ' A' ' 72' ' ' LEU . 87.0 m-85 -85.09 81.33 8.91 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.051 -175.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.7 -18.58 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 175.626 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.822 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -70.25 -7.03 39.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.813 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.7 mt -99.51 -40.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.763 177.844 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 36.0 ptt180 -85.19 -64.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.825 -176.463 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 4.1 t70 -60.62 -43.74 97.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.818 0.818 . . . . 0.0 111.102 -177.027 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.822 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 44.7 m-80 -75.68 -27.2 58.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.41 -168.723 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.39 -34.86 15.49 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.912 175.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' ' 114' ' ' VAL . 5.7 m-30 -60.08 -22.84 63.25 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.48 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.702 HH21 ' HA ' ' A' ' 115' ' ' LYS . 3.7 mmp_? -56.78 -73.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.479 178.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.8 m -81.54 14.31 2.61 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.895 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.417 ' O ' ' HE2' ' A' ' 115' ' ' LYS . . . -99.66 104.07 2.79 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.637 178.53 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.47 -60.8 2.17 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.14 144.18 16.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.597 -0.811 . . . . 0.0 113.137 -174.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.99 136.92 49.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 111.067 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' O ' HG21 ' A' ' 20' ' ' VAL . 86.6 mt -106.25 112.75 25.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.161 175.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.543 HD21 HG22 ' A' ' 20' ' ' VAL . 58.3 mt -83.96 106.77 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.249 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.4 t -111.4 142.98 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.704 -174.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -155.65 144.51 20.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.526 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.536 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 29.6 t -83.57 138.9 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.778 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.646 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -70.35 -7.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.827 0.346 . . . . 0.0 111.622 -178.462 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.466 ' CG2' HD23 ' A' ' 132' ' ' LEU . 16.8 p -84.83 -19.05 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.249 0.547 . . . . 0.0 109.914 173.737 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 45.4 mt-10 -103.33 100.36 10.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.326 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.12 -25.1 65.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.986 176.701 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.16 -49.2 46.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.103 -179.758 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -58.09 -36.92 73.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.723 0.297 . . . . 0.0 110.577 176.595 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.53 -40.23 93.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 176.658 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.2 m -76.0 -33.29 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.321 0.581 . . . . 0.0 110.495 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.83 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.211 -178.119 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.8 p -56.81 -37.84 71.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.0 110.494 178.661 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.1 98.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.335 177.33 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.44 -45.73 91.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.939 178.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.1 m-85 -58.69 -49.75 76.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.58 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 108' ' ' ARG . 34.8 ttt180 -53.78 -54.28 40.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.964 -178.347 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.53 -28.62 67.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.085 -176.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.1 -35.47 74.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.452 . . . . 0.0 110.027 178.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.2 mt -62.44 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.416 175.598 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.54 -26.11 68.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 177.734 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.58 -49.09 28.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 177.409 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 83' ' ' PHE . 27.0 m -74.88 -23.94 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.806 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.767 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 38.4 mttm -106.55 -85.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.65 -73.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.682 0.793 . . . . 0.0 113.07 -178.851 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.39 59.1 5.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.503 . . . . 0.0 111.334 -174.59 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.767 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 14.5 mm-40 -114.9 -170.37 1.73 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -77.57 -71.93 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 172.466 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.675 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 31.8 mmmt -143.28 153.44 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.5 mt -122.35 105.94 36.04 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.378 -0.374 . . . . 0.0 109.992 177.594 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.49 ' HB2' HD11 ' A' ' 172' ' ' LEU . 55.8 Cg_endo -90.72 132.93 1.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.268 2.646 . . . . 0.0 112.667 179.526 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.522 HD23 HD13 ' A' ' 91' ' ' LEU . 5.6 mp -129.0 142.41 50.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 111.09 -178.598 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.701 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.4 tp -136.17 125.07 24.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.24 174.453 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.3 t -92.58 125.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.959 -178.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.7 t -118.14 116.4 51.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.947 -176.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.48 102.23 2.89 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 173.15 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' A' ' 157' ' ' THR . 32.9 p-10 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.464 0.649 . . . . 0.0 112.353 -168.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 131' ' ' ASP . 54.6 mttt 70.28 57.36 0.27 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.299 177.122 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -78.74 15.79 0.99 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.271 0.558 . . . . 0.0 110.096 176.4 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 129' ' ' LYS . 18.7 t70 -75.5 -25.08 56.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.563 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -73.06 -57.8 3.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.414 177.476 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 65.26 -67.02 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.765 0.826 . . . . 0.0 112.279 -179.465 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.862 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.0 pt-20 -57.74 -29.38 64.72 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.083 0.468 . . . . 0.0 111.957 -176.617 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.862 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 74.8 mtt180 -100.28 17.77 20.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.655 -171.823 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.646 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 35.4 ttm180 -63.93 111.97 2.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.274 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -86.13 -33.58 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.057 -172.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.87 122.42 42.54 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.468 179.424 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.17 113.27 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.409 2.073 . . . . 0.0 111.314 176.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -72.27 -12.02 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.085 0.469 . . . . 0.0 110.795 -171.889 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.46 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.544 177.63 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.37 -20.59 54.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.69 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.41 80.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 109.939 175.394 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 69.2 mtp180 -68.03 -32.56 73.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.804 176.152 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.8 t -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.453 177.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.85 -40.27 94.75 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 175.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.63 -37.93 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 176.517 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.4 -42.26 96.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.051 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.25 -40.43 90.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.968 179.596 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -85.76 -5.67 59.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 0.0 111.407 -175.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.95 35.94 80.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.185 -179.21 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 -174.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.751 0.31 . . . . 0.0 110.244 -178.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.701 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.3 pm0 -113.39 154.26 27.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 176.758 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -123.95 125.69 45.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.979 178.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.3 t -132.32 129.33 59.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -178.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.79 125.94 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.917 0.389 . . . . 0.0 110.562 175.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.588 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 93.1 m -125.47 137.47 53.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.578 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.06 110.95 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 -178.314 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.71 -14.43 59.95 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.417 -178.521 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -78.49 -4.55 49.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.741 -176.555 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 7.1 0.79 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.868 -177.719 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 62.94 33.8 14.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.267 175.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.91 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.527 -176.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 67.24 18.17 10.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.745 175.187 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 -47.34 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.083 0.468 . . . . 0.0 110.647 -177.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -76.29 -27.4 56.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.976 -178.218 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.27 -50.08 70.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.795 -177.428 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.0 -32.72 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.32 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -73.35 -55.95 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.375 -179.517 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 52.9 m-85 -61.91 -31.75 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 -176.643 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -51.92 62.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -178.894 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.6 tp -67.93 -31.25 70.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.316 0.579 . . . . 0.0 110.253 -179.783 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.553 ' SD ' HD13 ' A' ' 64' ' ' ILE . 67.4 mtp -62.17 -32.04 72.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.487 179.186 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 24.6 mmt180 -61.33 -49.82 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.814 179.701 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.753 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 8.6 mm-40 -57.24 -35.88 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.426 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 65.0 mt -55.33 -27.42 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.902 0.382 . . . . 0.0 111.579 -175.074 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -70.23 -51.89 27.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 0.0 110.274 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.5 m -65.45 -30.74 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.504 -174.306 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.753 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 59.1 mmtt -64.55 -39.8 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -74.14 -33.01 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.36 -179.69 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.562 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.433 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 17.0 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 121.561 0.696 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -61.84 -26.77 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.38 21.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.55 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.36 -32.42 83.56 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.881 179.017 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.417 HG12 ' O ' ' B' ' 394' ' ' THR . 45.0 mm -64.11 -46.22 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.52 -38.89 92.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.5 0.191 . . . . 0.0 111.233 -179.367 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.37 -45.5 93.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 109.755 175.315 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.92 -44.5 80.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.287 -178.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.554 ' HA ' HD21 ' B' ' 439' ' ' LEU . 65.1 mt -54.13 -53.68 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.988 177.016 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -59.93 -33.56 72.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 0.0 111.019 -179.312 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -63.21 -47.41 82.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.77 176.311 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.641 ' NE2' HG21 ' B' ' 432' ' ' VAL . 16.2 mm100 -76.75 -31.58 57.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.662 -177.145 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.4 mt-10 -65.57 -36.29 83.34 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.044 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -67.98 -39.21 83.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.482 176.648 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.619 ' HB2' HG23 ' B' ' 432' ' ' VAL . 64.6 mt -60.49 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 175.031 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.0 tp -61.79 -43.64 98.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.554 0.692 . . . . 0.0 109.313 178.224 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.62 -44.17 80.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.789 176.336 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 13.3 t -62.36 -53.17 58.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.917 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.569 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -53.26 -41.97 66.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 110.776 176.043 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.0 m-70 -65.88 -32.25 73.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.668 178.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -79.46 -51.88 8.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.724 0.297 . . . . 0.0 111.662 177.496 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.9 -55.0 29.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.999 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' B' ' 412' ' ' LEU . 3.1 mp -65.52 -25.55 67.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.427 -175.677 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.628 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.5 tt0 -61.96 -18.29 59.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.195 -177.947 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.88 -6.78 73.89 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.653 179.566 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.73 14.51 40.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.17 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.16 124.72 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.751 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.4 pttp -126.79 144.3 51.0 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.346 1.07 . . . . 0.0 113.019 -178.232 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 13.0 t70 -150.46 170.35 19.29 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.045 178.517 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.04 64.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 171.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 70.4 m -65.37 -32.06 73.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.545 -178.73 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.0 OUTLIER -71.6 -35.98 70.68 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.271 -172.733 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.615 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 13.1 pt-20 -72.31 -42.8 65.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.145 178.21 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.21 -49.48 77.45 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 179.016 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.402 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.9 tpt180 -62.23 -39.81 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.772 -177.014 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -60.88 -55.81 28.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.104 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.624 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 74.6 m95 -63.11 -37.03 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.63 179.303 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.89 -55.57 32.56 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -176.859 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.641 HG21 ' NE2' ' B' ' 405' ' ' GLN . 7.6 p -63.15 -33.41 60.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.776 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 37.3 tp60 -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.944 178.106 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.65 ' HA ' HG21 ' B' ' 437' ' ' THR . 1.9 mpt_? -65.21 -34.92 79.5 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.355 -176.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 432' ' ' VAL . 54.6 mt -61.13 -43.28 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 175.157 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.441 HD22 ' HG2' ' B' ' 406' ' ' GLU . 46.9 tp -65.23 -46.11 81.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.004 178.428 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.65 HG21 ' HA ' ' B' ' 434' ' ' ARG . 15.3 t -65.85 -35.91 81.98 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.946 0.403 . . . . 0.0 110.404 -176.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.55 -36.13 78.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.956 0.408 . . . . 0.0 109.958 173.905 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' B' ' 402' ' ' ILE . 1.1 mp -65.89 -34.73 78.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.619 178.736 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -65.81 -36.39 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.317 0.58 . . . . 0.0 109.762 175.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.32 -41.08 85.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.049 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.5 mmmt -58.05 -36.72 73.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.998 175.087 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.404 ' HB2' HD13 ' B' ' 402' ' ' ILE . 56.0 tp -60.91 -40.32 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.853 177.583 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -79.16 -12.29 59.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 179.191 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.58 -20.9 17.38 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -178.675 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.433 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.876 -173.084 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.601 0.238 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.89 3.74 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.325 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -139.94 106.97 5.43 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.048 179.029 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.64 151.69 29.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.139 -173.087 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 2.2 mmtp -118.38 122.69 43.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.765 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 64' ' ' ILE . 69.4 t -116.19 118.86 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.398 . . . . 0.0 110.861 179.718 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.58 126.65 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.322 179.16 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.796 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 62.6 mtt -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 176.032 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.69 HG21 ' HA ' ' A' ' 91' ' ' LEU . 33.6 m -110.98 177.14 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.211 175.3 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.81 160.36 9.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.118 -0.563 . . . . 0.0 111.981 178.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -83.54 45.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.938 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.91 -56.03 0.75 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.11 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.72 111.88 0.33 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.0 t -88.95 -68.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.937 0.399 . . . . 0.0 110.312 176.916 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.87 34.88 1.98 Allowed Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.208 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.796 ' HE3' ' HB2' ' A' ' 19' ' ' MET . 26.2 mttp -58.71 -74.81 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 111.102 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 16.9 p -69.11 -11.92 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.184 -175.701 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.95 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.458 . . . . 0.0 110.357 175.072 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.76 -38.98 67.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.528 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 69.8 p -67.0 -40.35 87.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.505 -176.886 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.12 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.082 178.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -65.03 -40.95 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 110.292 174.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE2' ' HG2' ' A' ' 53' ' ' LYS . 64.6 t80 -72.72 -22.9 60.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.531 -177.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 67.5 mtm -104.93 -53.75 2.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.628 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -102.37 -11.72 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.486 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 67.01 32.09 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.787 0.803 . . . . 0.0 110.236 -178.098 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -135.0 142.24 46.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.101 -178.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -78.52 144.12 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.484 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.35 116.39 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.804 0.812 . . . . 0.0 112.569 -176.002 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -117.78 -44.12 2.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.675 171.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -127.1 107.62 10.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.749 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -169.71 91.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.739 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.7 mm-40 -74.57 -51.16 4.25 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.561 -177.776 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 9.3 Cg_endo -52.77 106.68 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 111.712 177.294 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -158.21 1.5 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.097 -176.187 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.52 -54.55 4.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.422 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -125.48 -40.85 2.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.125 176.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' OD2' ' HE3' ' B' ' 440' ' ' LYS . 16.1 t70 -59.07 122.11 12.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -174.876 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -134.15 -175.47 3.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.101 -176.614 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.474 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 8.4 t80 -143.21 146.85 34.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -176.124 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -92.62 140.72 29.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.552 178.072 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HG2' ' CE2' ' A' ' 34' ' ' PHE . 48.9 tptt -116.69 136.78 52.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -177.248 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 19.5 mttp -97.78 131.06 44.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.124 0.488 . . . . 0.0 110.554 170.864 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG23 ' HE2' ' A' ' 173' ' ' MET . 16.0 m -136.23 145.47 30.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.88 176.676 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.62 108.64 4.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 121.321 0.582 . . . . 0.0 110.643 177.131 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -93.28 96.94 10.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.912 179.193 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 39.69 67.75 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.368 1.043 . . . . 0.0 111.871 -178.637 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.22 -122.71 0.94 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.968 -179.859 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -113.25 162.93 15.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.162 0.481 . . . . 0.0 110.112 -177.603 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.74 119.35 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.316 0.579 . . . . 0.0 111.955 -176.303 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 t -107.63 148.61 11.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.067 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -117.15 140.05 50.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.38 0.609 . . . . 0.0 112.057 -176.7 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 HD12 HG23 ' A' ' 17' ' ' VAL . 4.8 tt -134.73 125.87 46.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.188 -179.41 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -94.02 128.43 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.473 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -108.15 129.75 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.364 -177.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.65 124.68 51.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.029 0.443 . . . . 0.0 111.814 -177.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.3 t0 -94.71 158.54 15.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 171.815 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.0 p -142.67 141.86 31.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.771 0.32 . . . . 0.0 111.819 -171.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -78.58 96.47 5.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 165.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.21 71.07 1.79 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.056 -175.422 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -149.94 173.39 13.86 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.54 -20.05 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.581 -173.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.43 ' HB2' HD12 ' A' ' 72' ' ' LEU . 4.2 m-20 -60.11 -67.24 0.41 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.204 0.526 . . . . 0.0 110.942 179.355 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -80.41 63.88 5.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.313 -178.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.84 63.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.733 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -58.1 -23.77 56.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.997 176.556 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.651 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 33.9 mt -93.24 -21.84 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.623 -179.053 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -83.51 -63.48 1.35 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.725 179.049 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 114' ' ' VAL . 20.9 m-20 -68.06 -57.96 5.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.201 0.524 . . . . 0.0 111.808 -172.434 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.733 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 13.2 m-80 -71.17 -40.08 71.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.243 -168.544 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.651 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 11.5 m-85 -72.25 -25.91 61.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.554 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.418 ' HB2' HG21 ' A' ' 114' ' ' VAL . 5.8 m-30 -75.15 -5.73 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 111.436 -177.665 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -70.06 -63.44 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.404 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.9 m -83.83 14.02 4.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -171.663 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.41 135.44 12.19 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.645 177.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.523 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 2.1 mt-10 -80.39 -69.42 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.853 0.327 . . . . 0.0 111.259 -177.803 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.62 152.22 19.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.064 -174.115 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HB2' HD22 ' A' ' 123' ' ' LEU . 94.2 m-85 -128.2 135.96 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 -178.152 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 93.6 mt -106.69 115.42 30.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.018 177.219 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.69 ' HA ' HG21 ' A' ' 20' ' ' VAL . 40.5 mt -83.71 106.41 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.031 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG21 ' HB ' ' A' ' 126' ' ' VAL . 40.3 t -109.91 127.68 66.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.409 -173.162 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.436 ' HA ' HG21 ' A' ' 25' ' ' VAL . 43.9 p90 -138.96 175.37 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.026 176.159 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.86 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 43.3 t -122.84 151.33 41.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.301 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.83 1.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -177.573 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.566 ' CG2' HD11 ' A' ' 132' ' ' LEU . 31.8 p -108.98 -29.99 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.278 0.561 . . . . 0.0 109.907 169.84 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.86 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.0 mm-40 -82.35 77.07 9.18 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.801 179.78 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -65.91 -26.05 67.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 -177.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.51 -44.55 90.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.495 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.9 m -66.56 -32.41 73.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 176.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.9 -43.68 98.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 177.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -77.25 -30.2 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 110.921 179.038 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.47 62.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.191 -178.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -53.95 -33.17 56.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.927 0.394 . . . . 0.0 111.263 178.45 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.34 88.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.778 177.799 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.18 -40.02 93.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 178.448 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 22.7 m-85 -57.39 -45.03 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.66 -177.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.01 -54.04 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 110.257 179.092 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.27 -28.65 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.14 -33.95 72.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.001 179.359 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.2 mt -71.8 -40.99 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.15 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.616 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.2 mp -71.71 -11.13 60.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.145 0.498 . . . . 0.0 111.056 176.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -79.4 -26.26 41.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.273 177.152 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 80' ' ' ASP . 17.6 m -110.85 -23.23 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.63 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 43.4 mtmt -137.88 135.94 36.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.133 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.54 -76.18 0.48 Allowed 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.456 178.75 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.26 35.09 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -173.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -58.39 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -171.5 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.377 176.214 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.576 ' HG3' ' HD2' ' A' ' 179' ' ' LYS . 35.7 mmtm -144.43 150.33 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 175.271 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 111' ' ' ILE . 62.9 mt -120.61 92.29 47.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.043 178.339 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.68 125.1 10.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.079 2.519 . . . . 0.0 112.013 -178.462 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 89' ' ' PHE . 93.8 mt -119.21 122.44 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.15 0.5 . . . . 0.0 111.161 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.689 HD11 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -121.29 122.82 40.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.013 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 t -86.67 127.18 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.161 -177.465 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 92' ' ' VAL . 58.8 t -117.65 116.14 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.73 -176.72 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.05 124.53 8.16 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 175.749 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -120.36 176.23 5.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.179 0.49 . . . . 0.0 110.016 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 66.93 27.65 8.84 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 123.586 0.554 . . . . 0.0 110.837 -176.235 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -10.01 4.14 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.723 178.468 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.1 -20.43 65.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.909 176.023 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.566 HD11 ' CG2' ' A' ' 96' ' ' THR . 40.1 mt -78.52 49.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.568 174.103 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.36 -25.91 68.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.041 -176.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.37 -26.18 13.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 -177.003 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -91.73 11.37 24.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.17 179.222 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 136' ' ' ARG . 45.2 ttp180 -61.9 112.15 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.428 . . . . 0.0 110.332 -177.593 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -94.75 -29.23 14.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 7.2 p -111.41 121.4 40.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.328 175.734 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.91 121.3 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.662 2.241 . . . . 0.0 111.854 178.069 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.48 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.5 OUTLIER -71.16 -13.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.457 0.646 . . . . 0.0 109.702 -178.363 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.6 -49.88 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.869 176.556 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.97 -22.74 49.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.72 94.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.928 174.052 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.46 -33.35 75.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.435 174.168 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.1 t -62.79 -42.31 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.29 179.441 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -54.47 -40.03 68.04 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -57.15 -47.72 80.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.048 0.451 . . . . 0.0 110.725 177.245 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.78 -33.78 74.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.338 179.23 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.5 -42.0 98.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.604 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.414 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 42.2 m0 -87.44 -17.21 32.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.283 -176.85 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.67 32.45 18.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.887 -179.027 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.18 -168.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.689 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.7 pm0 -116.74 153.68 31.96 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.588 173.889 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.48 ' HE2' HG22 ' A' ' 140' ' ' VAL . 41.4 t80 -133.53 125.21 28.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.396 177.477 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.76 134.39 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 -178.303 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -84.87 121.79 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.312 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.4 p -109.97 129.05 55.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 111.21 -177.147 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.4 m -112.17 99.21 7.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.892 178.558 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.63 -16.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -179.215 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -69.21 -42.51 75.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.585 -179.482 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.6 p -112.23 7.41 19.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.231 -178.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 54.7 73.29 0.41 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.121 -177.387 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.28 127.47 37.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 178.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 65.89 16.34 10.43 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.04 0.837 . . . . 0.0 111.768 178.334 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.93 -55.2 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.68 -25.23 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -179.184 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.91 -47.33 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.52 -32.52 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -69.63 -45.48 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.615 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 34.4 m-85 -68.81 -37.14 79.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.299 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.57 -51.1 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -178.596 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.62 -39.48 88.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.458 ' HE2' HG23 ' A' ' 55' ' ' VAL . 56.1 mtm -62.09 -31.1 71.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.419 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 8.4 mmm180 -71.29 -43.05 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.604 178.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.673 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 1.3 mt-10 -55.49 -43.53 75.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.57 176.402 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.9 mt -56.3 -47.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 123.548 0.53 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 173' ' ' MET . 69.1 mtt180 -56.15 -51.31 68.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.695 177.499 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.8 m -57.83 -38.48 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.68 -178.134 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 45.9 mmtm -64.64 -46.53 82.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.613 -179.461 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 43.4 mtpt -69.89 -31.62 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 -177.778 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.292 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.494 ' O ' ' HB ' ' B' ' 398' ' ' ILE . 18.4 mt-30 -58.35 -32.03 68.16 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.122 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.577 ' HA ' ' HG2' ' B' ' 399' ' ' LYS . . . -65.27 -41.16 94.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.002 -176.531 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.0 -36.65 93.75 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 173.528 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.56 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.6 mm -60.71 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.195 -0.502 . . . . 0.0 109.909 174.553 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' B' ' 396' ' ' ALA . 11.6 mmmm -57.82 -44.56 86.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.552 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.33 -49.32 77.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.37 -179.351 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.416 ' HB3' HD13 ' B' ' 439' ' ' LEU . 0.4 OUTLIER -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.702 -178.481 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.56 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.7 mt -58.64 -52.88 54.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.622 0.249 . . . . 0.0 110.612 -178.641 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 403' ' ' ARG . 38.4 mtm-85 -62.9 -29.1 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -177.27 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.634 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 33.9 ttt180 -61.56 -51.01 70.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.931 0.395 . . . . 0.0 109.983 176.017 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.497 ' OE1' HG23 ' B' ' 432' ' ' VAL . 80.7 mm-40 -71.79 -29.58 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.518 -178.446 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.0 mt-10 -60.45 -41.82 94.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -71.95 -39.99 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.568 176.467 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.8 mt -62.22 -51.72 66.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.723 0.297 . . . . 0.0 110.951 -178.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.592 HD12 ' OH ' ' A' ' 82' ' ' TYR . 58.4 tp -62.03 -32.51 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.956 0.407 . . . . 0.0 110.186 176.801 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.51 -42.4 87.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.313 178.096 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 98.8 p -60.52 -48.72 80.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.602 -177.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.416 HD22 ' O ' ' B' ' 408' ' ' LEU . 3.5 mm? -57.65 -45.86 84.95 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.785 173.746 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.422 ' HE1' ' HB2' ' A' ' 48' ' ' ALA . 1.9 m170 -57.99 -47.28 83.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.303 -175.847 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -77.53 -35.07 53.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.637 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.39 -53.78 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.943 0.401 . . . . 0.0 111.577 -175.018 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.53 -34.09 77.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 -176.373 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.5 tt0 -61.92 -21.37 64.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.099 -177.572 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.82 87.17 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.828 -178.826 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.82 12.35 5.0 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.789 178.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 64.6 mt -106.95 136.41 42.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.444 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -163.34 140.79 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.443 0.639 . . . . 0.0 111.42 175.909 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 14.5 t70 -149.45 161.45 42.08 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.803 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.57 -31.79 70.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.163 0.506 . . . . 0.0 110.879 -177.388 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.39 -31.98 73.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.228 178.591 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 57.4 mmtt -72.78 -42.5 63.89 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.279 -176.779 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -47.07 82.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.497 -178.866 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -68.72 -37.42 79.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.874 -179.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.457 ' O ' HG11 ' B' ' 432' ' ' VAL . 18.0 mmt180 -64.43 -45.56 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.745 178.233 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' B' ' 429' ' ' LEU . 10.5 mt -55.96 -50.36 71.01 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 123.299 0.374 . . . . 0.0 111.642 -178.389 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.447 ' HE3' ' HD2' ' B' ' 434' ' ' ARG . 7.4 m95 -66.39 -44.25 83.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.508 179.898 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.433 ' O ' HG13 ' B' ' 435' ' ' ILE . 18.1 tp10 -60.45 -55.72 30.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.829 -0.168 . . . . 0.0 111.185 -175.034 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.576 ' HA ' HD13 ' B' ' 435' ' ' ILE . 11.5 p -62.34 -34.61 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.16 0.505 . . . . 0.0 110.467 -178.709 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.2 tp60 -56.61 -50.3 72.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.738 176.513 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.506 ' HA ' HG22 ' B' ' 437' ' ' THR . 18.1 mtp180 -69.04 -33.25 73.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 -177.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 432' ' ' VAL . 38.9 mt -67.24 -45.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.23 176.632 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.29 -47.35 81.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 177.417 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.506 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.9 t -72.09 -34.27 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.76 0.314 . . . . 0.0 111.063 -176.388 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.89 -36.43 83.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.477 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.555 ' HB3' HG12 ' B' ' 402' ' ' ILE . 40.1 mt -69.78 -36.59 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.554 178.902 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.493 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 70.4 mmtt -59.35 -40.24 85.78 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.659 0.742 . . . . 0.0 109.037 173.57 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -66.37 -44.73 82.34 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.064 179.139 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -58.48 -33.07 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.344 177.811 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' B' ' 398' ' ' ILE . 46.7 tp -61.43 -55.07 35.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 178.586 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -82.05 -0.32 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 0.0 111.107 -179.767 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.57 -28.94 30.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.707 178.605 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.161 -177.365 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD23 ' HG3' ' A' ' 180' ' ' LYS . 28.2 mt . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.81 10.91 12.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.547 -173.591 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 tp -110.98 125.55 53.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -135.1 144.45 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.351 -178.245 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.798 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.25 118.74 26.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.836 0.35 . . . . 0.0 110.224 173.399 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.5 129.12 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.489 0.661 . . . . 0.0 110.671 -179.036 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.94 120.96 60.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.838 178.178 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.63 114.84 26.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.261 0.553 . . . . 0.0 109.904 179.241 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -94.67 160.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.402 -171.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.469 ' O ' ' HA3' ' A' ' 71' ' ' GLY . . . 176.76 -167.03 38.22 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.051 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -142.46 -61.48 0.44 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.48 0.64 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.81 -111.55 1.59 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.11 178.661 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 -66.7 1.01 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.275 -178.919 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.507 HG12 HG22 ' A' ' 92' ' ' VAL . 98.0 t 71.36 -53.2 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 123.272 0.629 . . . . 0.0 111.779 178.924 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.01 19.36 9.1 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.474 -177.117 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.608 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.8 pttp -78.92 -23.02 44.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.232 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -69.75 -32.48 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.884 178.329 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.72 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.557 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.69 -36.3 78.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.736 -175.602 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.9 p -70.29 -44.16 68.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.159 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD12 HG22 ' A' ' 40' ' ' VAL . 6.4 tt -67.88 -35.91 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' OE1' ' HG2' ' A' ' 162' ' ' ARG . 81.1 mt-30 -65.57 -37.7 87.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.521 176.194 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.98 -34.02 68.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.558 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 61.0 mtm -73.85 -49.22 26.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.367 -179.839 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.8 m-85 -111.8 -76.65 0.59 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.047 -175.707 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 24.2 t70 168.45 -30.34 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.681 0.613 . . . . 0.0 111.047 -174.687 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -95.62 160.03 14.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.395 0.616 . . . . 0.0 112.036 -168.007 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.09 149.62 37.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.708 176.743 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.664 HG22 HD12 ' A' ' 32' ' ' LEU . 48.8 t -72.38 100.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 111.177 -179.123 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -79.86 -46.67 16.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.682 176.535 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.72 109.31 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 110.809 -178.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -172.86 91.24 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.946 176.344 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 40.7 tt0 -72.18 -63.29 1.28 Allowed Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.288 -176.001 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 26.6 Cg_exo -26.14 -103.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 125.001 3.8 . . . . 0.0 115.814 -167.755 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.539 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 24.2 p 45.23 40.07 4.74 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.016 0.526 . . . . 0.0 112.216 -178.478 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.04 -59.17 2.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.273 0.559 . . . . 0.0 109.761 179.17 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.16 7.94 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.17 171.669 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.74 125.13 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.415 -171.079 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' HD12 ' A' ' 67' ' ' LEU . 34.3 t -118.21 138.19 52.49 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.319 0.58 . . . . 0.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.44 145.18 33.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.465 178.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -105.87 154.25 20.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.253 0.549 . . . . 0.0 110.861 -176.34 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HG3' HG11 ' A' ' 55' ' ' VAL . 51.6 tptt -127.23 131.17 50.66 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.624 176.901 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.08 117.16 29.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.003 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.583 HG11 ' HG3' ' A' ' 53' ' ' LYS . 15.9 m -127.2 144.14 38.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.134 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' C ' ' A' ' 60' ' ' GLU . 7.5 p -110.66 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.656 0.741 . . . . 0.0 109.246 175.206 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.45 102.81 14.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.818 -179.708 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 77.6 -34.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.786 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.57 -70.29 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.042 -1.551 . . . . 0.0 115.587 -170.548 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -109.12 152.59 24.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.579 0.689 . . . . 0.0 111.612 -168.395 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.28 111.01 6.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.71 178.354 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' GLU . 40.6 t -106.68 141.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.077 -174.151 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.07 121.06 43.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.072 0.463 . . . . 0.0 110.154 -176.249 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 HD12 ' SD ' ' A' ' 173' ' ' MET . 16.2 tt -123.29 127.21 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -178.21 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.798 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 60.6 m-20 -87.64 129.28 35.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.949 177.893 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -107.64 128.24 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 50' ' ' SER . 45.0 tp -123.53 108.46 12.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.867 0.365 . . . . 0.0 110.369 176.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.539 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 28.4 t0 -94.7 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.111 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -93.81 147.58 22.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.132 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.09 124.68 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.636 169.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 21' ' ' GLY . . . -95.11 85.44 0.96 Allowed Glycine 0 C--O 1.235 0.201 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.772 -176.193 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 2.5 pt? -152.64 167.31 29.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -73.62 -23.62 59.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.135 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.5 m-20 -58.66 -66.64 0.46 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.141 -176.659 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HB3' HG13 ' A' ' 78' ' ' ILE . 72.0 m-85 -81.49 78.69 8.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.633 0.73 . . . . 0.0 111.4 -174.057 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -28.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.776 -179.636 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.74 -12.78 60.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 110.867 -179.404 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.697 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 17.0 mt -96.82 -32.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 178.773 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -92.08 -64.2 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.093 0.473 . . . . 0.0 110.567 178.194 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.64 -55.1 9.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.967 -174.306 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.849 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.3 m-20 -78.0 -18.01 56.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -171.187 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.697 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.09 -30.98 13.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.861 -0.524 . . . . 0.0 112.224 -175.926 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.567 ' HB2' HG22 ' A' ' 114' ' ' VAL . 12.6 m-30 -66.72 -25.19 66.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.21 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 1.6 tmt_? -59.47 -41.15 89.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.158 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.552 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -92.38 24.8 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.756 0.312 . . . . 0.0 111.621 -178.35 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.93 151.93 17.68 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -96.54 -71.23 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.594 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -110.72 154.66 16.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.219 -176.691 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -131.36 135.99 47.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.998 0.428 . . . . 0.0 111.075 -176.653 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.9 mt -104.52 107.58 18.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.211 177.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 8.0 mp -80.68 106.48 12.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.06 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 1.066 HG11 ' HB ' ' A' ' 126' ' ' VAL . 18.0 m -117.1 135.87 56.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.033 0.445 . . . . 0.0 110.285 -177.918 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -142.21 171.88 13.45 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 12.2 t -112.52 138.94 48.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.872 177.723 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.96 5.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.454 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 15.4 p -126.87 -0.57 6.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.174 0.511 . . . . 0.0 110.844 176.356 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 32.7 mt-10 -116.93 84.29 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.047 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.627 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 20.7 t-80 -59.02 -30.2 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.756 -170.637 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.26 -46.11 72.57 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 p -70.6 -27.97 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -177.358 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.64 -44.85 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.6 m -72.27 -32.98 67.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.027 0.441 . . . . 0.0 110.683 179.571 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.26 -13.94 62.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.212 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 p -51.1 -48.97 61.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.72 0.295 . . . . 0.0 111.628 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.53 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.61 -42.79 98.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.449 178.676 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -60.64 -51.73 68.13 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.56 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -50.75 -55.92 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.998 -177.472 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -37.43 78.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.927 -177.38 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.91 -34.8 71.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.756 0.312 . . . . 0.0 110.454 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.554 HG21 HD11 ' A' ' 121' ' ' ILE . 96.9 mt -61.86 -45.28 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.629 177.573 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -40.77 92.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.794 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -57.13 -47.54 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.762 -177.88 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 83' ' ' PHE . 33.1 m -81.09 -10.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.169 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.522 ' HB3' ' OE2' ' A' ' 118' ' ' GLU . 30.3 mtmt -126.9 -99.39 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.508 -178.625 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.62 -49.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 177.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.8 60.37 3.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.31 0.576 . . . . 0.0 110.886 -175.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 pt-20 -142.42 -157.93 0.82 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.15 179.668 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.46 -67.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.923 176.521 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 9.4 mmtp -160.68 138.24 9.41 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -176.634 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 111' ' ' ILE . 58.9 mt -98.65 109.38 52.95 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.559 177.345 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.594 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.2 Cg_endo -82.45 126.11 4.67 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 178.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.95 132.99 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.436 0.636 . . . . 0.0 111.002 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -129.75 118.04 21.22 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.785 172.867 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 17.5 t -90.39 127.36 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.923 -177.289 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 1.066 ' HB ' HG11 ' A' ' 92' ' ' VAL . 49.6 t -120.48 131.34 72.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.95 -175.535 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.97 122.49 7.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.726 178.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -113.38 177.58 4.58 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 69.32 16.84 8.32 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.185 0.594 . . . . 0.0 110.689 -179.164 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 m -65.33 -5.66 7.92 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.925 -177.855 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.67 -22.78 62.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.134 -179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.775 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 64.0 mt -68.22 -49.1 62.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.476 -179.103 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 62.04 -74.13 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 124.116 0.885 . . . . 0.0 112.494 178.191 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.98 -21.69 56.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.077 0.465 . . . . 0.0 110.952 -175.671 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.775 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 81.1 mtp180 -85.59 1.6 48.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.622 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -54.56 114.99 1.89 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.282 -176.824 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.627 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 35.9 tt0 -81.22 -39.35 25.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 -178.695 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.7 p -117.9 123.88 29.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 -179.338 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.7 126.08 21.09 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.053 2.502 . . . . 0.0 112.426 -179.553 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.4 -22.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.056 178.926 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.7 -53.07 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.863 179.559 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -73.46 -29.5 62.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.806 178.595 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.1 mtp180 -60.25 -40.81 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.378 0.609 . . . . 0.0 110.93 177.532 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -75.32 -31.82 60.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.453 -172.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.413 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 14.0 tppt? -63.38 -48.95 75.77 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.241 178.031 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.492 ' O ' HG21 ' A' ' 152' ' ' VAL . . . -65.18 -37.11 86.32 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.703 177.386 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.38 -37.97 85.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 -178.718 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.44 -25.62 66.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.43 178.166 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.413 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 48.4 m0 -84.01 -4.36 58.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.93 0.395 . . . . 0.0 110.447 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.96 20.02 76.63 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.851 -178.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 147' ' ' ALA . 15.6 m -110.76 -179.94 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.266 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.7 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.6 pm0 -110.63 149.68 30.08 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.458 177.088 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 86.9 t80 -121.89 122.64 39.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.871 176.642 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.423 ' HB ' HG13 ' A' ' 168' ' ' VAL . 40.4 t -122.77 135.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.309 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.9 143.91 27.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 178.691 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.2 p -131.12 154.75 47.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 178.414 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.2 m -133.35 103.56 6.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.618 176.735 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.71 6.92 13.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -178.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -87.1 -50.1 6.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.95 179.831 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 p -97.06 -2.61 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.425 ' HG2' ' OE1' ' A' ' 33' ' ' GLN . 87.6 mtm180 62.36 61.98 1.21 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.108 -175.243 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -121.71 134.71 54.95 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.843 -178.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 70.0 10.82 7.55 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.833 0.708 . . . . 0.0 111.667 176.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.76 -54.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.812 -176.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -74.16 -24.95 59.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 -178.514 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.7 -49.61 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.686 -176.897 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 155' ' ' VAL . 35.7 m -68.34 -24.75 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.902 -177.151 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -74.36 -56.33 4.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.483 179.188 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -63.09 -32.89 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.307 -175.198 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.19 -51.06 65.6 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.787 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.634 HD13 HD13 ' A' ' 176' ' ' ILE . 1.7 tm? -65.12 -39.17 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.896 177.352 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 64' ' ' ILE . 63.8 mtp -60.59 -31.25 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.478 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -67.85 -48.09 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.812 176.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.654 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 4.3 mm-40 -52.61 -44.93 66.33 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 177.359 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.634 HD13 HD13 ' A' ' 172' ' ' LEU . 60.8 mt -58.89 -29.38 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.511 -177.246 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -65.1 -49.61 69.31 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.3 m -57.55 -32.4 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -178.204 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.654 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.1 mptt -70.28 -48.55 56.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.469 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 14.2 ptpt -75.83 -20.07 58.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.649 179.037 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.563 0.221 . . . . 0.0 110.918 174.686 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.491 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 31.7 mt-30 -59.87 -28.89 67.91 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.62 0.247 . . . . 0.0 110.951 -178.189 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.14 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 110.503 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.39 91.72 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.843 177.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.624 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.9 mm -59.06 -48.69 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 175.906 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -58.59 -40.28 82.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.342 -178.954 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.06 -38.37 90.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 179.052 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.502 ' HB3' HD13 ' B' ' 439' ' ' LEU . 3.4 tp10 -73.94 -35.77 64.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.053 179.507 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 398' ' ' ILE . 74.0 mt -57.98 -54.28 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.748 175.902 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -63.32 -29.41 70.73 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 77.4 ttt180 -59.2 -50.68 73.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.047 174.843 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -73.02 -29.77 63.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 -179.122 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 81.4 mt-10 -61.96 -40.33 95.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.899 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.66 -44.23 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.689 176.317 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.3 mt -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.227 -178.519 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.548 HD12 HG13 ' B' ' 432' ' ' VAL . 40.9 tp -68.78 -32.46 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.229 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.73 -44.86 93.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.124 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 7.6 t -60.89 -54.49 44.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.839 177.662 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.73 -32.94 45.73 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.469 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.505 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 14.2 m-70 -71.24 -50.69 30.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.008 177.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -77.07 -39.96 47.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -171.574 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -64.13 -39.41 93.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.916 0.388 . . . . 0.0 110.732 -178.653 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.569 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -78.22 -33.53 49.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.812 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 1.8 mt-30 -71.49 -12.29 61.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.078 174.055 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.85 -8.45 84.28 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.953 175.538 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 7.35 32.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.412 175.643 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 70.5 mt -102.6 117.26 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.006 0.403 . . . . 0.0 110.23 176.746 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.12 144.73 47.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.743 0.782 . . . . 0.0 111.503 179.42 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.646 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.1 t70 -148.67 161.73 41.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.28 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.496 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.1 mp -66.02 -26.33 67.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.11 0.481 . . . . 0.0 110.504 -177.791 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.4 m -66.98 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.0 176.007 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.646 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.3 mmtt -73.41 -44.09 59.09 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.382 -175.665 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.496 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 24.8 mt-10 -60.53 -48.46 81.67 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.038 -178.379 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 6.4 mm-40 -64.26 -44.71 90.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.791 177.765 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.439 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.2 tpt180 -68.61 -32.28 72.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 -177.1 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.45 HD21 ' CZ ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -56.18 -49.92 72.68 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.27 0.557 . . . . 0.0 109.568 176.727 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.552 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -65.26 -45.08 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.1 176.595 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 48.4 mt-10 -57.66 -55.85 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.073 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.548 HG13 HD12 ' B' ' 409' ' ' LEU . 11.0 p -61.35 -35.52 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.595 -176.783 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -62.28 -48.47 79.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.059 0.457 . . . . 0.0 110.762 174.519 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.487 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 31.5 mtp180 -59.99 -38.54 82.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -70.53 -42.26 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.452 178.121 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' B' ' 406' ' ' GLU . 3.2 tm? -57.63 -50.93 71.54 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.212 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 4.5 t -69.43 -30.89 68.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 -177.013 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.05 -38.05 75.7 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.33 174.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.566 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -59.85 -44.59 94.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.651 179.742 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -68.07 -42.92 79.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.16 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.1 mmmt -61.54 -27.95 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.973 176.418 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.27 -41.08 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -77.36 -16.81 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.359 176.361 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.54 -9.22 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.989 -175.312 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.491 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.6 179.005 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.234 0.27 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.54 15.06 2.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.743 174.226 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -149.25 112.4 4.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.119 0.485 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 10.3 m170 -126.81 136.2 52.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.424 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -111.54 123.58 50.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.308 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.7 120.01 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.593 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' A' ' 89' ' ' PHE . 58.7 mt -106.15 131.34 56.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 0.0 111.588 -174.682 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.763 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 9.1 mmt -88.59 111.93 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.799 175.015 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 90' ' ' LEU . 19.8 m -94.76 175.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.587 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.88 175.29 39.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.861 -1.162 . . . . 0.0 113.021 179.467 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.754 ' HB2' ' HE1' ' A' ' 107' ' ' PHE . 5.1 t -153.64 25.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.48 -139.25 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.277 -176.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.16 -73.74 1.01 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 119.865 -1.16 . . . . 0.0 112.185 178.097 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t 69.55 -46.56 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 112.158 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.51 31.59 4.23 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.158 -178.691 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.887 ' HB3' HG21 ' A' ' 92' ' ' VAL . 58.5 pttt -66.75 -40.64 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -174.45 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . 17.0 p -78.08 1.72 20.17 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.83 -174.462 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.96 -48.62 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 170.564 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.72 -40.93 96.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.292 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.5 p -65.4 -43.21 91.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.241 -176.771 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.93 -41.99 81.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.598 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.24 -35.23 79.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 178.505 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -69.13 -46.13 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 178.756 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 71.8 mtm -74.91 -41.43 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.649 -175.253 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -93.57 5.14 52.6 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.335 -176.037 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 73.36 -38.46 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.686 0.794 . . . . 0.0 112.664 172.351 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -106.29 -177.87 3.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.473 . . . . 0.0 111.407 -176.169 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -74.68 142.47 44.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.164 178.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 HG13 ' HD1' ' A' ' 43' ' ' TYR . 9.6 t -72.34 104.39 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.611 -173.702 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -100.09 -21.69 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.556 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.38 85.32 2.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.447 172.6 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.449 ' HD1' HG13 ' A' ' 40' ' ' VAL . 48.9 t80 -105.17 116.93 32.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.95 -177.119 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -120.88 146.01 42.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.95 107.03 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.276 2.651 . . . . 0.0 113.407 -178.192 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -87.7 93.03 9.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -87.75 -56.84 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 110.524 175.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.62 14.13 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.7 0.762 . . . . 0.0 109.537 175.054 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -86.83 103.94 15.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.077 -173.333 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -109.51 171.74 7.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.734 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.569 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 6.8 t80 -161.47 168.79 23.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.11 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -136.51 161.23 36.44 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.527 179.199 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 64' ' ' ILE . 49.1 tptt -127.64 143.01 51.2 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.617 -178.474 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -94.96 120.46 35.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 109.983 172.08 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.31 143.5 36.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.602 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -94.28 102.37 13.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.823 0.82 . . . . 0.0 109.308 178.279 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.72 102.07 14.68 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.944 -174.533 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.25 5.78 4.42 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.334 170.186 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.84 -30.23 1.81 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.257 176.679 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 62' ' ' VAL . 11.4 pt-20 -95.74 130.18 42.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.192 0.496 . . . . 0.0 109.861 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -71.76 111.73 7.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 169.566 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 60' ' ' GLU . 13.1 t -106.08 153.52 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.259 -166.816 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.29 119.25 38.63 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 167.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 53' ' ' LYS . 12.1 tt -101.03 111.16 29.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.872 0.844 . . . . 0.0 109.273 -178.42 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.669 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 21.2 t70 -87.95 109.52 19.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.959 -173.596 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mm -108.65 120.73 60.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.131 -173.059 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD22 ' CG ' ' A' ' 82' ' ' TYR . 57.6 tp -111.49 118.51 35.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.262 176.946 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.566 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 24.0 t0 -98.77 94.98 6.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.34 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -78.17 149.59 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.088 -172.53 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.62 106.92 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 172.491 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.426 ' HA2' ' HD3' ' A' ' 79' ' ' ARG . . . -81.49 72.65 2.73 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.476 -178.048 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -150.6 170.99 17.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.818 0.342 . . . . 0.0 110.656 178.778 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 -24.69 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.874 -175.175 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.441 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.4 m-20 -61.94 -73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.353 0.596 . . . . 0.0 111.294 -177.471 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CB ' HD12 ' A' ' 78' ' ' ILE . 65.5 m-85 -78.12 68.09 4.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.195 -176.507 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.14 68.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.216 177.258 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.777 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -72.19 -15.71 61.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.271 -179.698 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.548 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 64.9 mt -96.57 -32.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.722 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 27.5 ttp180 -92.35 -61.07 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.042 177.855 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.6 -53.96 10.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.591 -173.633 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.777 HD21 ' HA ' ' A' ' 77' ' ' ALA . 59.0 m-80 -76.0 -17.65 59.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.668 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -79.64 -23.78 42.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.33 -179.382 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' HB2' HG23 ' A' ' 114' ' ' VAL . 22.1 m-30 -73.67 81.3 1.54 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.669 ' HG3' ' HB2' ' B' ' 426' ' ' GLU . 86.5 mmt-85 -133.88 -84.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.125 177.671 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.25 40.22 0.48 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.11 0.481 . . . . 0.0 111.733 -174.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.65 134.65 9.43 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.714 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 15.9 mp0 -87.6 -65.31 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.788 0.327 . . . . 0.0 110.81 -178.531 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.65 139.8 14.81 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.147 -171.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 18' ' ' ILE . 94.7 m-85 -125.33 126.68 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 178.578 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 20' ' ' VAL . 97.3 mt -96.66 116.61 29.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.428 179.493 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.586 HD12 HD22 ' A' ' 123' ' ' LEU . 57.3 mt -90.47 107.18 19.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.128 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.887 HG21 ' HB3' ' A' ' 27' ' ' LYS . 18.8 m -108.87 139.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 -175.415 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -153.42 164.94 37.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 t -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.176 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.503 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.45 5.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.494 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.568 ' CG2' HD21 ' A' ' 132' ' ' LEU . 2.5 p -92.56 -27.16 17.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.213 0.53 . . . . 0.0 110.403 174.766 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.15 110.85 22.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.329 -178.489 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -70.88 -19.51 62.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.815 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.37 -55.01 24.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.407 179.118 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 m -59.0 -33.14 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.531 177.739 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -63.92 -36.08 82.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 177.57 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -79.87 -29.42 39.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.413 0.625 . . . . 0.0 110.096 178.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -13.91 62.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.933 -178.823 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.466 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 35.8 p -54.22 -39.63 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 178.112 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.08 82.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.759 177.469 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.49 87.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.34 179.197 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.754 ' HE1' ' HB2' ' A' ' 22' ' ' SER . 5.3 m-85 -57.76 -49.17 77.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.415 0.626 . . . . 0.0 109.721 178.064 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -59.23 -50.76 72.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.808 -176.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -32.64 74.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.953 -176.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.478 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.911 0.386 . . . . 0.0 109.976 177.676 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 107' ' ' PHE . 61.7 mt -62.72 -50.19 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.093 179.084 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.88 -24.19 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.262 -178.135 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 -178.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 83' ' ' PHE . 22.6 m -95.35 -21.2 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.054 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG2' HG21 ' A' ' 114' ' ' VAL . 6.7 mmmt -109.61 -84.09 0.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -177.876 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.6 -64.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.622 0.769 . . . . 0.0 112.915 179.231 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -80.11 54.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.147 0.499 . . . . 0.0 111.375 -175.392 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -103.92 178.31 4.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.801 -178.535 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.98 -69.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 170.62 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 35.0 mmtm -157.48 134.73 10.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.742 172.599 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 53.5 mt -101.52 104.36 33.68 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.501 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 7.9 Cg_endo -88.61 120.92 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.395 2.73 . . . . 0.0 112.665 179.794 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 91' ' ' LEU . 7.3 mp -109.89 153.89 23.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.29 177.799 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.716 HD11 ' HG2' ' A' ' 153' ' ' GLN . 5.9 tp -136.67 121.5 18.68 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.472 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.453 ' N ' HD12 ' A' ' 124' ' ' LEU . 23.1 t -86.06 116.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.094 -178.923 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.49 ' HB ' HG11 ' A' ' 92' ' ' VAL . 42.5 t -110.26 119.08 58.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.381 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.66 113.22 4.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.234 177.756 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -104.34 169.53 8.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 -177.404 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 69.14 33.01 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.697 0.623 . . . . 0.0 111.17 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -75.27 54.33 0.7 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.6 0.714 . . . . 0.0 109.692 174.682 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -135.01 0.9 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.032 -175.798 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.568 HD21 ' CG2' ' A' ' 96' ' ' THR . 0.4 OUTLIER -99.78 -51.04 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 -179.467 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 64.59 -71.33 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 112.371 179.361 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.43 -21.47 66.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.995 0.426 . . . . 0.0 111.652 -175.935 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 54.0 mtt-85 -93.0 21.39 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -175.285 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.572 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 48.1 ttp180 -63.36 113.71 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -178.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -92.52 -27.68 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.156 0.503 . . . . 0.0 110.039 175.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.97 122.98 19.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.572 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 36.3 Cg_exo -62.27 133.48 43.75 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.916 2.411 . . . . 0.0 112.645 178.594 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -54.16 -28.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.021 174.625 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.44 -42.49 78.2 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.778 178.004 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.12 -39.0 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.277 179.515 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.02 88.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 178.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.6 mtp180 -70.29 -32.88 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.5 179.223 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.8 t -58.22 -45.01 88.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 178.311 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.74 -42.83 99.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.98 88.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.426 . . . . 0.0 110.528 177.339 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.76 -42.08 98.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.479 178.882 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.27 -36.45 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -178.423 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -83.77 -9.82 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -178.016 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.28 25.3 61.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.322 178.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.41 176.83 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 120.577 0.227 . . . . 0.0 110.696 -177.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.716 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.3 pm0 -102.2 157.79 16.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.087 175.519 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -120.7 121.2 37.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.156 175.749 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 127.44 74.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -177.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.56 122.88 30.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.496 178.709 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.6 p -129.87 150.83 50.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.372 0.606 . . . . 0.0 111.706 -177.02 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.8 p -136.68 102.31 4.87 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 173.721 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.73 -12.25 33.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.172 178.949 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -61.91 -36.31 80.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.423 179.762 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -130.93 12.68 5.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 -178.767 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 66.59 22.75 10.47 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.598 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.17 119.44 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.289 -177.215 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 69.59 7.74 6.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.765 175.628 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -42.19 94.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -175.796 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.86 -25.33 53.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.358 -176.901 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.89 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -175.545 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.38 -28.65 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.433 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.402 ' O ' ' HG3' ' A' ' 173' ' ' MET . 97.8 m-85 -74.76 -51.3 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.693 0.283 . . . . 0.0 110.555 179.649 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -67.29 -39.69 86.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.063 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.768 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.166 -178.36 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.462 ' HA ' HD13 ' A' ' 176' ' ' ILE . 46.9 mtm -63.82 -29.94 71.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.728 -179.409 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -59.12 -43.85 91.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.032 178.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.82 -32.79 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 178.278 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 173' ' ' MET . 73.3 mt -59.23 -31.89 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.181 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -66.81 -51.62 53.55 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.526 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.0 m -60.65 -39.56 88.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.146 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.41 -45.05 77.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -178.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -73.89 -31.03 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 177.21 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.205 0.526 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 81.2 mt-30 -62.6 -27.75 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.673 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -59.95 -55.71 30.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.588 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.79 91.87 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' B' ' 443' ' ' LEU . 45.7 mm -61.87 -53.21 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.651 0.262 . . . . 0.0 110.85 177.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.435 ' HA ' HD13 ' B' ' 402' ' ' ILE . 99.2 mttt -63.84 -36.47 84.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.728 -175.814 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 70.6 mm-40 -58.93 -47.61 84.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.162 0.506 . . . . 0.0 109.963 176.371 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.73 -37.88 82.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.335 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.512 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 97.3 mt -55.92 -53.29 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.518 178.28 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' B' ' 403' ' ' ARG . 56.4 mtt85 -58.38 -35.37 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.287 -177.7 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -69.0 -44.82 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.864 179.129 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.407 ' HB2' HD11 ' B' ' 436' ' ' LEU . 12.5 mm100 -72.55 -29.89 63.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.538 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 51.5 mt-10 -60.01 -46.47 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 173.7 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.2 -43.11 99.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.032 178.176 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.535 ' O ' HD23 ' B' ' 412' ' ' LEU . 38.0 mt -60.99 -52.46 64.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.786 179.593 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.42 -44.39 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.141 0.496 . . . . 0.0 110.027 178.579 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.46 -47.11 79.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.072 177.762 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 14.0 t -60.0 -55.45 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.705 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.9 mm? -56.17 -35.75 67.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.983 0.421 . . . . 0.0 111.5 179.459 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.548 ' HD2' HD23 ' B' ' 429' ' ' LEU . 21.4 m170 -70.39 -34.15 72.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.92 -50.71 10.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.639 0.257 . . . . 0.0 111.349 177.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -57.55 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.82 -174.375 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.9 mp -69.13 -26.74 65.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.702 -178.527 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.7 tt0 -69.43 -35.82 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.183 0.516 . . . . 0.0 109.857 177.282 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.41 -25.47 74.24 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.377 178.057 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.14 18.24 3.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.24 116.66 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -139.03 144.97 39.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.949 0.881 . . . . 0.0 111.95 179.469 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.732 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.9 t70 -149.49 162.54 39.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.459 179.068 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.69 -30.65 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.014 0.435 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.1 m -66.31 -32.22 73.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 177.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.732 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.6 mmtt -69.65 -52.45 25.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.734 -175.007 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.669 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . 6.2 pt-20 -66.44 -37.12 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.646 -175.124 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.35 -41.6 76.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.669 0.271 . . . . 0.0 111.131 175.276 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.514 ' O ' HG11 ' B' ' 432' ' ' VAL . 13.8 mmt180 -61.65 -41.24 97.24 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.704 0.288 . . . . 0.0 110.564 174.489 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.705 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -55.4 -53.42 56.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.014 -176.143 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.521 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 48.0 m95 -62.54 -47.96 81.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.489 -179.316 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.28 -49.91 73.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.057 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.7 p -62.48 -35.24 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.945 0.402 . . . . 0.0 110.505 179.833 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.477 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 19.5 tp60 -56.86 -49.06 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 173.906 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 33.9 mtt180 -68.2 -37.75 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.445 179.655 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -61.15 -46.29 96.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.31 176.885 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' B' ' 405' ' ' GLN . 30.0 tp -64.2 -37.51 87.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.155 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.569 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.12 -39.89 68.53 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.643 -178.708 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.81 -35.82 80.94 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 109.613 174.665 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.458 ' HG ' HG12 ' B' ' 402' ' ' ILE . 30.9 tp -66.74 -35.78 80.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.183 178.662 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.58 -43.3 93.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.269 0.557 . . . . 0.0 109.759 173.461 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -59.55 -44.46 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.459 177.781 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.0 mmmt -58.98 -34.12 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.441 178.537 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.513 ' HA ' HG22 ' B' ' 398' ' ' ILE . 60.1 tp -66.02 -44.54 84.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.441 178.249 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -82.53 -2.1 52.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.454 179.589 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.51 -25.75 22.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.089 179.387 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.699 179.96 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.1 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.706 0.288 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 2.23 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 178.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -123.48 123.33 40.41 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.654 178.745 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -133.27 135.41 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.017 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.46 125.95 50.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.259 0.552 . . . . 0.0 110.727 176.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.8 129.17 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.78 -174.243 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.79 122.24 63.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.423 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 29.5 mtt -90.63 127.95 36.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.205 175.431 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.99 173.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.16 -173.0 27.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.875 -179.387 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -87.22 -10.08 53.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.325 0.583 . . . . 0.0 110.556 179.71 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.96 -45.66 1.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.085 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.11 -1.55 49.6 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.431 -0.384 . . . . 0.0 113.033 -178.316 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 29.7 m -78.18 -0.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.775 -177.524 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.84 26.17 63.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.602 178.186 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 9.8 ptmm? -62.48 -31.0 71.67 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.764 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 m -75.33 -24.03 57.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 178.06 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.5 68.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.457 -177.175 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD23 HD22 ' A' ' 128' ' ' ASN . 80.6 mt -68.99 -39.27 79.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.899 -176.635 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -67.41 -46.68 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.81 -178.208 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.77 -40.02 72.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 177.057 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -60.81 -52.17 66.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.417 177.18 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -67.68 -27.69 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -176.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -91.47 -52.58 4.71 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -174.04 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -109.89 -5.35 15.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.45 22.5 7.81 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.448 0.468 . . . . 0.0 111.522 179.88 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -125.32 159.12 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.953 0.406 . . . . 0.0 110.63 179.609 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.32 146.83 24.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.649 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.66 110.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 122.01 0.909 . . . . 0.0 111.53 -176.174 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -101.59 -43.75 5.79 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.802 175.7 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.8 94.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 177.504 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -170.57 90.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.564 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.564 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 62.0 mm-40 -104.26 -42.64 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.8 Cg_exo -26.59 -81.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 123.907 3.071 . . . . 0.0 114.98 -175.67 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.819 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 11.8 p 44.49 45.4 7.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.323 0.582 . . . . 0.0 111.649 -177.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.64 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 109.353 178.303 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB3' HD13 ' B' ' 409' ' ' LEU . . . -126.53 26.81 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.991 172.868 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.819 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -84.04 65.59 8.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.766 -171.777 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m -91.68 150.94 20.89 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.618 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 75.8 m-85 -142.43 160.19 40.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.958 0.409 . . . . 0.0 111.345 -176.542 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HD2' ' OE1' ' A' ' 63' ' ' GLN . 4.0 tpp180 -94.42 108.15 20.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.344 -176.59 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -110.78 119.67 39.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.921 0.391 . . . . 0.0 110.152 177.678 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.49 126.39 41.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.541 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.53 147.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.52 175.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.05 115.03 44.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.13 178.552 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 170' ' ' PHE . 86.4 mt -93.95 96.04 9.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.505 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 20.79 85.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 125.272 1.607 . . . . 0.0 113.699 -174.273 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.01 -57.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.811 175.372 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.39 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.192 0.496 . . . . 0.0 111.875 -172.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.1 109.68 7.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 168.673 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -106.68 139.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -175.152 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.523 ' OE1' ' HD2' ' A' ' 52' ' ' ARG . 72.8 mt-30 -113.45 127.43 56.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.68 125.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.533 0.682 . . . . 0.0 110.337 177.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.36 117.77 35.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.444 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.88 128.6 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.744 -174.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 ' CH2' ' B' ' 430' ' ' TRP . 57.1 tp -116.77 114.31 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.468 172.472 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.7 t70 -94.03 94.53 8.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.688 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -72.59 148.53 44.81 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.086 -175.317 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -75.97 142.94 41.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.968 174.388 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.61 22.44 39.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.993 -179.598 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.518 ' HG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -103.72 163.46 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 111.33 -177.525 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -93.57 -3.68 52.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.265 -178.734 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.1 m-20 -59.16 -72.96 0.09 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.672 -178.518 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 77' ' ' ALA . 73.3 m-85 -72.57 -54.3 9.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.406 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.98 -45.55 0.5 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.096 -173.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.21 -38.18 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.432 0.693 . . . . 0.0 112.483 179.557 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.59 -36.78 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.22 0.325 . . . . 0.0 110.996 -177.204 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HD2' ' OD1' ' A' ' 80' ' ' ASP . 20.0 ttm180 -93.52 -64.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.398 0.618 . . . . 0.0 111.262 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.487 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 3.4 m-20 -74.68 -41.78 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.34 -168.217 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.492 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -76.21 -15.79 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -176.584 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 77' ' ' ALA . 12.7 m-85 -89.01 1.42 55.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.477 176.51 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 8.0 m-30 -72.66 -169.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.767 -178.746 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.691 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 89.4 mtt180 70.22 -68.04 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.713 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 m -63.02 -24.22 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.904 0.383 . . . . 0.0 110.426 179.713 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.18 136.24 23.58 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 173.587 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.41 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -175.327 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.48 145.32 17.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.95 -176.913 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -128.57 135.42 49.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.146 0.498 . . . . 0.0 110.95 -179.159 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.423 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 95.2 mt -111.44 114.61 27.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.169 177.901 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 125' ' ' VAL . 45.7 mt -85.49 106.52 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -109.8 132.75 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.423 -175.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 26.2 p90 -147.98 160.88 42.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.073 178.04 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.545 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 39.9 t -95.18 146.28 24.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.145 176.767 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.49 6.36 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.161 0.505 . . . . 0.0 111.348 -178.305 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 1.014 HG22 HD21 ' A' ' 132' ' ' LEU . 42.4 p -123.92 5.9 8.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.88 0.371 . . . . 0.0 111.33 176.507 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.545 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 61.1 mt-10 -109.74 96.79 6.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.012 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -66.21 -30.05 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.338 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.24 -53.14 59.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.562 177.331 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -64.66 -32.39 74.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 110.576 179.015 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.58 -49.38 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.234 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 m -67.29 -29.19 68.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.194 0.521 . . . . 0.0 110.769 178.272 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.61 -21.96 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.207 -177.164 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.588 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.5 p -58.99 -35.88 73.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 -179.456 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.19 92.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.637 177.226 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.45 -42.16 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.436 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.5 m-85 -58.31 -51.48 69.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -178.464 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 108' ' ' ARG . 2.2 ptm180 -62.36 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -175.8 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.7 -33.43 73.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.99 -179.084 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.82 -33.74 76.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 178.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.7 mt -65.49 -47.18 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.05 178.376 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.81 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.749 178.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -63.81 -30.41 71.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.165 -179.329 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.486 HG21 ' HG3' ' A' ' 115' ' ' LYS . 34.7 m -108.76 -21.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.293 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.691 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 29.8 mtpp -106.64 -91.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -177.24 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.29 -68.1 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.601 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.41 38.76 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.819 0.448 . . . . 0.0 112.179 -172.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.668 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 3.6 mm-40 -100.34 -162.25 0.93 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.075 -176.183 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 62.7 m-20 -63.55 -79.35 0.04 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.703 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.905 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.4 mmtm -157.18 141.72 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.514 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.8 mt -98.65 107.73 44.39 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 120.65 0.262 . . . . 0.0 110.612 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -93.39 122.14 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 123.328 2.686 . . . . 0.0 111.851 176.699 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.4 mp -117.54 124.89 49.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 0.0 110.351 -179.338 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.638 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -115.49 117.43 30.36 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 174.82 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.745 HG22 HD12 ' A' ' 91' ' ' LEU . 13.1 t -84.25 116.14 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.574 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.03 109.24 27.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.438 -176.371 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.62 115.07 3.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 174.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.603 HD22 HD23 ' A' ' 30' ' ' LEU . 6.2 t-20 -124.85 -169.97 2.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.986 0.393 . . . . 0.0 109.987 -176.37 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 131' ' ' ASP . 29.3 mmmt 60.85 24.9 14.84 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.464 0.477 . . . . 0.0 110.278 -176.311 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.2 m -72.2 30.11 0.05 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.464 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.7 t70 -84.61 -28.42 26.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.595 0.712 . . . . 0.0 109.373 176.267 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 1.014 HD21 HG22 ' A' ' 96' ' ' THR . 6.1 mp -82.04 80.74 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.573 178.117 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -82.29 -42.88 18.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.513 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -82.06 -22.14 36.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.141 -178.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -105.89 8.53 32.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.735 -174.708 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.0 ttm105 -52.71 114.51 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.945 -178.129 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.609 ' HB2' ' HA ' ' A' ' 96' ' ' THR . 30.3 mm-40 -87.71 -33.13 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.785 -176.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 p -118.58 120.97 31.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.044 0.45 . . . . 0.0 110.695 176.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 123.26 13.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.064 2.509 . . . . 0.0 111.925 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -70.29 -18.28 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.937 -176.524 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.81 -50.82 69.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.274 178.826 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.77 -24.47 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.184 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.48 85.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.237 173.693 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.689 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 23.1 mtp180 -64.21 -39.57 94.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.179 0.514 . . . . 0.0 110.074 175.138 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.0 t -63.61 -33.0 74.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.609 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -65.81 -37.25 85.76 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -62.3 -37.43 85.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 0.0 110.095 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.42 -40.2 85.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.601 178.407 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.54 -40.57 92.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.919 179.453 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -88.66 -4.33 58.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.13 -176.431 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.22 40.8 70.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.625 179.17 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 29.2 m -125.62 -173.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.549 0.214 . . . . 0.0 111.22 -178.38 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.638 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -99.86 155.15 17.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.485 177.029 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.689 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 58.0 t80 -132.28 124.67 29.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.44 124.64 67.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 -179.276 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -85.19 115.1 22.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.061 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 80.6 p -121.62 162.02 21.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -174.317 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 p -152.93 130.13 11.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.362 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.75 -0.55 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.437 0.636 . . . . 0.0 110.166 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -79.51 -44.59 20.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.51 -179.925 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 40.1 p -99.99 -9.17 23.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 -178.336 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 45.56 9.99 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.452 -177.256 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -115.99 136.11 53.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 70.44 7.97 6.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.879 176.846 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 168' ' ' VAL . 82.4 t -70.52 -52.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.655 0.264 . . . . 0.0 110.622 -178.583 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -72.29 -23.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -57.83 -47.11 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.522 -176.596 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -65.03 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.901 -174.841 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -70.95 -50.86 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.637 -179.556 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.438 ' CD1' HD22 ' A' ' 57' ' ' LEU . 47.4 m-85 -68.11 -38.91 82.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.276 -177.421 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.53 -51.91 67.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.628 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.56 ' O ' HG13 ' A' ' 176' ' ' ILE . 37.8 tp -61.64 -42.94 99.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.552 -179.003 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.8 mtm -61.24 -30.82 70.68 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.648 -178.515 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 9.5 mmm180 -68.0 -39.9 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.907 179.412 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.714 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 21.3 mt-10 -72.7 -37.29 67.88 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.795 175.127 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -54.63 -48.12 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.606 0.241 . . . . 0.0 111.082 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 181' ' ' MET . 13.9 ptp180 -67.86 -29.12 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.767 -178.377 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.2 m -77.19 -31.32 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -178.22 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.905 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 70.7 mmtt -66.11 -36.51 83.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.068 0.461 . . . . 0.0 110.255 178.934 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 24.5 mtpp -74.11 -21.65 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 -177.742 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 61.6 mtt . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.535 ' O ' HG12 ' B' ' 398' ' ' ILE . 46.9 m . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.94 -30.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.87 -54.91 41.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.19 -34.81 90.98 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.963 178.845 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.535 HG12 ' O ' ' B' ' 394' ' ' THR . 46.4 mm -60.45 -52.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.338 . . . . 0.0 110.168 176.374 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 63.0 mttm -59.11 -43.98 91.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.606 -178.084 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.21 -38.55 90.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.164 -178.157 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.635 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 8.5 tp10 -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.639 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.5 mt -53.62 -53.58 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.592 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 79.2 mtp180 -61.79 -35.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.939 -177.17 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.635 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 38.0 ttm180 -61.2 -52.56 64.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.37 176.637 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.1 mm-40 -68.77 -27.8 66.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.14 -176.93 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.9 mt-10 -60.38 -37.41 80.7 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.019 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.99 -49.44 67.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 178.27 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.479 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.9 mp -56.09 -52.2 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.999 176.028 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.495 HD23 HG13 ' B' ' 432' ' ' VAL . 2.4 tm? -56.21 -47.1 79.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.12 177.574 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.58 -45.8 84.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.167 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.73 -55.27 36.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.379 -178.294 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -52.17 -43.08 63.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.92 0.391 . . . . 0.0 111.033 177.863 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.83 -44.14 96.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.374 -179.85 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -76.48 -41.03 48.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.28 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.3 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.384 -179.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 38.6 mt -70.4 -27.52 64.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.443 -175.624 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.23 -23.99 62.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 178.285 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.72 3.35 56.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.156 -178.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.82 28.76 10.64 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.908 178.494 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.5 133.58 68.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.843 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -155.52 144.77 20.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 0.0 111.798 178.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 24.8 t70 -150.86 166.88 29.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.761 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.26 -23.94 62.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.416 0.627 . . . . 0.0 110.603 -179.43 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -67.86 -31.48 71.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.615 175.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 60.8 mmtt -72.72 -49.74 29.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.61 -176.567 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.48 ' OE1' ' HD2' ' A' ' 84' ' ' ARG . 8.9 pt-20 -59.34 -45.65 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.997 -177.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.2 mm-40 -63.23 -47.01 84.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.004 178.433 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.542 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.5 mmt180 -61.09 -37.23 81.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.898 178.242 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 412' ' ' LEU . 9.1 mt -56.37 -49.93 73.02 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.004 177.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.534 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 93.7 m95 -70.66 -34.35 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.867 -177.489 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 54.4 mt-10 -61.61 -56.4 20.3 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.803 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.546 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.9 p -64.96 -33.26 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.408 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -54.88 -52.23 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.394 177.271 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.2 mpt_? -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.245 -178.196 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' B' ' 432' ' ' VAL . 65.8 mt -65.77 -47.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.826 0.345 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.406 HD11 HG22 ' B' ' 402' ' ' ILE . 34.8 tp -59.85 -42.91 94.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.686 -179.068 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.618 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.2 -34.46 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.289 -178.308 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.33 -39.49 94.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.031 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.639 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.2 mp -59.3 -44.14 92.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 175.824 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -58.45 -41.35 84.92 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.244 0.545 . . . . 0.0 110.194 177.102 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -67.39 -43.68 80.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.572 179.166 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.5 mmmm -57.98 -35.97 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.018 176.786 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.1 -45.01 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.548 178.028 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.33 -2.93 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.38 179.2 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -91.61 -20.14 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.398 0.618 . . . . 0.0 109.518 175.454 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.438 179.357 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -93.86 17.52 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.508 -177.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 36.1 tp -130.24 127.42 39.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.487 174.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -132.25 144.57 50.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -175.435 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 30.8 mmtp -118.54 132.05 56.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.847 0.356 . . . . 0.0 110.063 179.161 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' HB ' HD13 ' A' ' 66' ' ' ILE . 83.3 t -127.85 117.98 47.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.685 177.76 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.98 116.74 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.552 175.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HE2' HG22 ' A' ' 92' ' ' VAL . 8.3 tpt -84.57 103.84 14.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.91 -176.54 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.95 143.21 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -175.011 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.83 -176.67 38.62 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.213 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -110.51 8.19 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.513 0.673 . . . . 0.0 109.991 -176.738 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.13 -80.85 0.36 Allowed Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.686 -178.286 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.7 46.32 1.29 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.401 -175.713 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.5 m -86.86 9.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.338 0.589 . . . . 0.0 110.083 175.6 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.62 40.7 79.76 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.369 -177.775 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.6 pttp -82.78 -16.58 47.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.6 m -77.26 -19.55 56.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 177.234 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -70.39 -50.15 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.938 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.28 -39.82 95.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.16 -176.667 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -69.91 -36.95 75.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -177.932 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -60.29 -49.51 77.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.754 177.567 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.626 ' HG2' ' HA ' ' A' ' 39' ' ' PHE . 45.2 mt-30 -66.25 -35.23 79.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.259 -176.706 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 87.6 t80 -69.13 -37.91 78.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.335 -178.764 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.6 mtm -91.83 -47.93 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.759 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.431 ' CD1' HD21 ' A' ' 32' ' ' LEU . 96.4 m-85 -91.93 -1.5 57.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.38 -175.42 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 69.97 2.35 3.86 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.715 0.634 . . . . 0.0 112.394 171.306 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 45.2 mt-10 -131.97 165.91 22.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.021 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 69.8 t80 -75.74 141.03 42.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.895 0.379 . . . . 0.0 110.597 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -70.02 123.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.446 0.641 . . . . 0.0 111.331 -179.566 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.62 -47.06 3.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.597 178.532 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -148.82 100.43 3.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.279 176.055 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -163.5 107.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.831 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 mm-40 -116.53 -42.23 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -179.422 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.831 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 5.7 Cg_endo -48.31 102.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.735 2.29 . . . . 0.0 113.354 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.57 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.52 70.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.826 177.256 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -88.29 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 109.169 170.405 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB3' HD22 ' B' ' 409' ' ' LEU . . . -127.52 15.33 7.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.641 170.365 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.57 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.6 m-20 -79.44 80.01 5.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.129 -173.435 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -90.68 167.31 12.61 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.978 177.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -136.06 149.27 48.69 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.473 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -95.22 111.96 23.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.861 0.363 . . . . 0.0 110.598 -175.114 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 55.6 tptt -101.6 135.01 43.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 4.0 ttmp? -111.46 125.02 53.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.887 0.375 . . . . 0.0 110.289 174.215 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.59 144.9 34.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.655 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.36 125.36 54.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.129 0.49 . . . . 0.0 109.959 178.056 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.1 tp -108.97 109.44 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.697 178.572 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 72.83 -46.48 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.256 0.972 . . . . 0.0 112.589 177.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.84 -49.34 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.995 -1.097 . . . . 0.0 113.933 -174.275 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -95.34 141.13 29.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 117.79 0.795 . . . . 0.0 111.191 -177.138 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.4 131.28 40.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.353 179.541 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -121.75 145.47 28.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.715 -177.371 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.32 149.37 34.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.054 0.454 . . . . 0.0 110.036 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 173' ' ' MET . 12.2 tt -144.85 131.61 15.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 -176.37 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 43.1 m-20 -101.62 125.82 48.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.428 176.372 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.425 HD13 ' HB ' ' A' ' 17' ' ' VAL . 43.3 mm -107.64 112.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.629 -178.013 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 tp -96.77 104.29 16.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -178.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.95 99.94 12.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.843 176.932 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -86.06 167.24 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.673 -173.236 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.58 129.4 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.068 175.455 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.81 39.76 2.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.215 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -116.75 168.08 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.505 0.193 . . . . 0.0 110.95 -178.19 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HA ' HH21 ' A' ' 79' ' ' ARG . 21.3 mm-40 -70.14 -35.69 74.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.979 -172.462 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HB2' HD12 ' A' ' 72' ' ' LEU . 3.8 m-20 -56.11 -75.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.314 0.578 . . . . 0.0 111.794 -178.609 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.404 ' HB3' HD13 ' A' ' 78' ' ' ILE . 98.0 m-85 -81.27 57.44 3.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.16 -175.159 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.88 -24.22 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.343 0.592 . . . . 0.0 110.225 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.16 -10.11 46.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.428 177.765 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.623 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 57.0 mt -94.18 -34.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.89 178.837 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.564 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 14.7 ptt180 -92.15 -64.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.384 177.514 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.564 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 3.8 m-20 -62.08 -51.43 67.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 111.411 -175.001 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.545 HD21 ' HA ' ' A' ' 77' ' ' ALA . 80.4 m-20 -76.41 -15.3 59.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.554 -172.001 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.623 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -91.87 -12.52 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.068 -0.395 . . . . 0.0 111.792 178.888 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.83 -34.41 77.87 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.826 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -47.23 85.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.803 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.723 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 16.7 m -91.25 18.82 6.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -171.875 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 143.38 15.82 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.486 175.512 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.625 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -98.91 -38.77 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.616 0.708 . . . . 0.0 111.368 -179.345 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.91 125.57 8.39 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.013 -174.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' HE3' ' A' ' 115' ' ' LYS . 97.9 m-85 -121.16 115.73 23.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.789 -179.028 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 124' ' ' LEU . 26.8 mt -93.89 111.42 23.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.706 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 107' ' ' PHE . 31.6 tp -92.73 106.34 18.33 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.844 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.539 HG21 ' HB ' ' A' ' 126' ' ' VAL . 48.3 t -119.36 131.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -171.888 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.456 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 35.8 p90 -144.13 158.83 43.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.474 173.419 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.68 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 1.5 m -83.54 139.34 32.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.855 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.492 ' O ' HG11 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -70.83 8.9 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.468 -178.408 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.647 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.4 p -106.56 -0.93 23.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.235 0.541 . . . . 0.0 110.344 173.018 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 94' ' ' SER . 33.8 mt-10 -108.35 101.55 10.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.191 179.557 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -79.58 -28.45 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.38 -48.04 76.98 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -61.41 -30.48 70.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 178.303 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 142' ' ' GLU . 43.5 t80 -66.92 -48.55 68.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.798 175.388 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -35.2 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.125 0.488 . . . . 0.0 110.825 178.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 -14.64 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.617 -175.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.474 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 51.9 p -53.45 -38.57 63.69 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.563 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.95 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.04 -41.85 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 -178.19 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CD2' HD11 ' A' ' 91' ' ' LEU . 35.6 m-85 -57.38 -47.22 82.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.628 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -56.85 -54.02 51.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.213 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.28 -39.95 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -176.615 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.473 ' OE1' ' HD3' ' A' ' 113' ' ' ARG . 7.4 tp-100 -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.722 -177.716 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.3 mt -65.59 -39.27 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.696 178.26 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.87 -26.13 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HD3' ' OE1' ' A' ' 110' ' ' GLN . 69.1 ttt180 -65.15 -36.78 85.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -178.742 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.548 HG21 ' HG3' ' A' ' 115' ' ' LYS . 33.8 m -90.51 -4.89 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.409 . . . . 0.0 111.33 -178.667 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HG3' HG21 ' A' ' 114' ' ' VAL . 56.9 mttm -124.59 -106.65 0.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.392 -175.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.88 -46.7 0.51 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.237 1.015 . . . . 0.0 113.405 178.409 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.42 1.86 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.116 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.08 -163.46 1.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.483 178.525 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.79 -90.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.049 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.631 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 33.4 mmtp -143.81 148.24 35.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -175.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 33.5 mt -111.92 95.48 29.26 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -177.178 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.625 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 4.2 Cg_exo -78.16 129.82 9.86 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.422 2.748 . . . . 0.0 112.205 179.218 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 89' ' ' PHE . 35.6 mt -119.99 156.53 30.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.536 ' CD1' ' HG2' ' A' ' 153' ' ' GLN . 15.0 tp -150.49 122.29 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 171.085 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.3 t -96.77 122.2 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.014 0.435 . . . . 0.0 110.083 -178.21 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.539 ' HB ' HG21 ' A' ' 92' ' ' VAL . 46.2 t -108.16 127.51 64.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.706 -176.635 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 90.65 1.56 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.711 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -88.96 168.94 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.702 -0.293 . . . . 0.0 110.451 -174.649 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.68 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 29.3 mmtp 72.47 15.12 5.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 178.715 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.433 ' CB ' ' HB3' ' A' ' 156' ' ' GLU . 23.2 t -61.77 -9.41 6.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.417 0.627 . . . . 0.0 110.655 -179.518 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 158' ' ' SER . 34.2 t70 -63.12 -14.59 50.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.68 177.685 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.565 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.6 mt -75.05 -43.54 52.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.205 176.412 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 63.28 -77.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.747 0.819 . . . . 0.0 112.636 177.239 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.59 4.52 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.432 . . . . 0.0 110.978 -172.186 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.565 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 75.6 mtt180 -110.08 7.5 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.831 179.307 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -56.36 118.71 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.287 -177.23 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.647 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 51.8 tp60 -92.0 -29.73 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -177.222 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 95' ' ' ILE . 5.8 p -109.25 113.75 58.41 Favored Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.57 ' HD2' ' OE2' ' A' ' 142' ' ' GLU . 74.6 Cg_exo -52.11 125.52 17.61 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.637 2.225 . . . . 0.0 111.243 174.372 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.645 HG11 ' HG3' ' A' ' 144' ' ' ARG . 5.6 t -54.15 -28.89 18.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.861 -178.018 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.29 -41.48 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.513 -178.565 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.57 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 42.8 mt-10 -57.88 -46.12 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.75 0.786 . . . . 0.0 110.207 178.06 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.38 60.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.436 -1.257 . . . . 0.0 112.106 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.645 ' HG3' HG11 ' A' ' 140' ' ' VAL . 20.1 mtp180 -63.39 -41.62 98.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.137 0.494 . . . . 0.0 110.462 178.576 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -58.57 -34.45 71.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 176.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 48.0 mmtm -69.84 -43.77 71.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.29 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.04 -40.62 77.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.615 -178.698 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.07 -42.79 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.749 -179.53 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.33 -34.11 76.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.747 -178.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -87.65 -16.78 33.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.043 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.27 38.07 22.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.266 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.0 m -128.64 177.26 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.472 . . . . 0.0 111.264 -178.595 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.536 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -96.14 147.59 23.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.708 176.257 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HE2' HG13 ' A' ' 140' ' ' VAL . 66.2 t80 -132.67 113.57 13.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.073 0.463 . . . . 0.0 109.761 171.221 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.453 HG12 ' HD3' ' A' ' 167' ' ' LYS . 2.5 p -137.38 147.59 26.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.399 178.364 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 130' ' ' SER . 43.0 mt-10 -84.81 138.07 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 111.13 -175.205 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.5 m -122.39 140.23 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.483 -178.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 131' ' ' ASP . 59.3 p -126.28 132.8 51.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.714 175.574 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.5 -41.17 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.901 0.382 . . . . 0.0 111.605 -174.238 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -67.94 -35.59 78.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.973 -174.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.84 -4.97 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.554 176.639 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 52.04 80.64 0.09 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.379 0.671 . . . . 0.0 111.922 -177.274 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.57 122.89 14.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 178.094 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 70.6 22.18 5.14 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.805 0.69 . . . . 0.0 112.246 175.629 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 34.2 t -78.39 -21.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.95 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.311 -177.662 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.453 ' HD3' HG12 ' A' ' 155' ' ' VAL . 3.4 ptpp? -58.07 -52.76 64.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.282 -0.872 . . . . 0.0 113.234 -171.892 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.423 HG11 HG13 ' A' ' 126' ' ' VAL . 27.3 m -48.29 -38.16 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.119 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 173' ' ' MET . 72.9 m-85 -75.94 -55.44 5.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.09 177.251 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.407 ' HA ' ' SD ' ' A' ' 173' ' ' MET . 49.2 m-85 -61.91 -36.66 81.99 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.717 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.15 -46.88 88.73 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.642 0.258 . . . . 0.0 110.897 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.5 -37.27 84.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.325 0.583 . . . . 0.0 109.848 178.164 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 170' ' ' PHE . 65.5 mtp -60.91 -31.31 70.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.342 178.864 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -70.81 -47.9 56.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.044 178.66 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -53.51 -36.29 61.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.402 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.661 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 80.3 mt -56.04 -37.9 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 178.514 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 181' ' ' MET . 93.1 mtt180 -71.07 -52.17 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.037 -178.249 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.7 m -57.36 -38.57 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.217 -177.006 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.631 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -65.21 -45.92 82.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 178.291 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.8 mmtp -67.64 -28.74 67.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.647 0.261 . . . . 0.0 111.317 -178.693 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.7 mtt . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.113 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.664 0.269 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 48.4 mt-30 -63.23 -34.93 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.108 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.73 76.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.565 177.287 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.67 -39.76 97.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.775 177.547 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 402' ' ' ILE . 27.1 mm -58.99 -47.78 88.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.817 0.341 . . . . 0.0 110.26 174.869 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.506 ' HA ' HD13 ' B' ' 402' ' ' ILE . 99.5 mttt -63.94 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 -179.002 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.54 -33.91 77.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 175.684 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.2 mt-10 -75.36 -37.57 60.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.232 175.05 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.554 HG12 ' HB3' ' B' ' 439' ' ' LEU . 90.2 mt -56.11 -53.71 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.496 174.761 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -28.45 69.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 110.83 -178.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 404' ' ' ARG . 20.9 ttt180 -62.37 -45.31 93.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 175.777 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.2 mm-40 -73.29 -31.67 64.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.356 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.93 -41.14 91.14 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.222 176.816 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -64.26 -47.42 79.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.419 ' O ' HD21 ' B' ' 412' ' ' LEU . 78.3 mt -61.62 -49.41 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 -179.179 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 48' ' ' ALA . 14.4 tp -62.15 -40.03 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.849 179.036 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.21 -49.31 72.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.114 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.3 t -61.81 -55.16 32.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 -178.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.605 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.6 mm? -57.0 -30.44 64.17 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.097 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.449 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 8.6 m-70 -70.63 -48.62 54.11 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 122.163 -0.336 . . . . 0.0 110.905 175.578 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.24 -52.48 22.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 0.0 111.706 -174.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.57 -33.06 72.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.978 -173.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 425' ' ' LYS . 11.2 mp -81.95 -27.01 33.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.023 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 41.0 mt-30 -65.17 -23.78 67.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.739 0.304 . . . . 0.0 110.644 178.604 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.22 -21.57 78.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.517 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.11 -14.47 7.0 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.418 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.9 mt -79.51 116.04 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.283 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.774 ' HB2' ' HZ2' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -146.37 136.06 23.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.594 0.712 . . . . 0.0 111.067 -179.929 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.7 t70 -144.42 167.98 21.19 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -177.628 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.7 mm? -61.24 -39.53 90.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.815 0.34 . . . . 0.0 110.416 -178.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 424' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' B' ' 428' ' ' ARG . 17.2 p -59.39 -37.83 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.607 ' HB3' HD11 ' B' ' 416' ' ' LEU . 44.3 mmtt -67.61 -46.16 73.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.245 0.545 . . . . 0.0 109.78 -176.273 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -67.8 -37.88 82.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.779 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 48.7 mt-10 -67.79 -45.92 73.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.213 175.687 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.675 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.4 mmt180 -60.45 -45.33 94.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.775 179.277 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.5 mt -56.32 -42.03 76.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.162 0.289 . . . . 0.0 111.53 -179.162 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.723 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 8.0 m95 -68.83 -32.67 72.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.404 177.84 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.931 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 49.5 mt-10 -68.63 -53.02 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.749 179.19 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.5 t -56.77 -34.54 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.379 179.779 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -55.16 -57.39 11.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.396 -1.274 . . . . 0.0 109.577 176.131 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.931 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 18.7 mtp180 -55.44 -46.55 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.74 -179.246 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.466 HD11 ' HA ' ' B' ' 432' ' ' VAL . 9.5 mt -67.12 -38.76 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.012 -176.935 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.74 -47.13 85.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -77.85 -34.59 51.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -176.698 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.42 -36.73 84.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.502 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.554 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -63.38 -40.34 96.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.822 177.52 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 444' ' ' ARG . 94.4 mttt -61.31 -38.34 86.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.219 176.787 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . 0.517 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.0 OUTLIER -68.79 -42.66 77.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.775 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -57.48 -33.05 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.911 176.891 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 56.6 tp -68.54 -36.36 78.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.598 176.435 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' B' ' 440' ' ' LYS . 68.3 mtp180 -82.46 -9.29 59.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -91.42 -16.14 27.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.237 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.629 -179.555 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.21 14.38 1.51 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.858 -1.064 . . . . 0.0 113.871 176.946 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 tp -149.21 128.59 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 111.082 -179.063 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -137.41 149.96 47.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.243 178.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 37.8 mmtt -123.54 127.51 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.335 177.307 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.634 HG13 HD22 ' A' ' 172' ' ' LEU . 16.3 m -128.44 108.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.557 0.694 . . . . 0.0 109.784 174.279 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.12 122.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.723 -176.62 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 92.3 mmm -86.36 111.02 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.856 179.097 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG23 HD23 ' A' ' 91' ' ' LEU . 26.6 m -94.87 168.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.498 -177.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.97 31.47 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.172 179.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -105.29 12.63 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.386 0.612 . . . . 0.0 109.915 -177.177 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.32 -61.83 0.31 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.853 -179.95 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.06 44.02 1.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.07 -175.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 93' ' ' PHE . 48.5 t -89.79 -21.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.298 0.57 . . . . 0.0 110.121 176.538 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.74 63.41 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.871 -177.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -121.48 -37.05 2.96 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -173.514 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -67.24 -26.64 66.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.75 -49.0 33.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.31 -33.13 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.916 -172.701 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.51 -45.09 88.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.988 0.423 . . . . 0.0 110.727 -179.63 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD11 ' HB ' ' A' ' 40' ' ' VAL . 95.9 mt -64.54 -29.44 70.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.754 HE22 ' HA ' ' A' ' 39' ' ' PHE . 22.1 mm-40 -66.83 -49.88 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.456 -178.761 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 89.6 t80 -69.11 -37.9 78.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.967 -179.222 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.3 mtm -74.61 -44.26 51.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.852 -175.802 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -110.23 -91.04 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.466 -176.474 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 171.59 -31.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.367 0.417 . . . . 0.0 110.472 -174.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.39 150.96 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -172.979 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.754 ' HA ' HE22 ' A' ' 33' ' ' GLN . 42.2 t80 -81.19 150.32 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.891 -178.012 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' HB ' HD11 ' A' ' 32' ' ' LEU . 6.0 p -64.71 118.45 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 111.297 -178.031 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.82 -49.51 4.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.441 178.12 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.39 108.72 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.514 178.239 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -158.26 106.11 1.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 110.855 -178.507 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.632 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 43.2 mt-10 -91.91 -53.99 0.27 Allowed Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.744 178.407 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 50.0 Cg_exo -53.47 106.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.752 2.301 . . . . 0.0 113.544 -175.182 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -153.42 35.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.229 172.014 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.79 -55.88 3.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.186 -178.135 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB2' HD22 ' B' ' 409' ' ' LEU . . . -123.07 27.35 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.368 177.753 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 12.2 m-20 -96.08 100.23 11.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.565 -172.694 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -106.84 148.65 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 171.596 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 68.6 m-85 -136.88 145.42 44.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.274 0.559 . . . . 0.0 111.765 -175.871 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -102.07 115.85 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.158 -175.068 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 64' ' ' ILE . 46.0 tptt -105.75 132.64 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.344 177.814 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.08 129.47 35.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.285 176.584 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG21 ' HE1' ' A' ' 173' ' ' MET . 19.9 m -137.15 151.88 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.005 175.531 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 60' ' ' GLU . 12.0 p -148.16 128.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.044 0.45 . . . . 0.0 110.455 176.934 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -115.37 95.96 5.42 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.445 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 45.1 29.81 0.54 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.252 0.97 . . . . 0.0 113.097 -179.71 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.53 -113.48 0.36 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.343 -1.408 . . . . 0.0 114.621 -175.388 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.4 pt-20 -90.9 146.03 24.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -171.188 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.75 108.39 5.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.37 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.7 t -106.68 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.223 -171.644 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -112.1 118.13 34.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 176.265 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.489 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.5 tt -104.5 117.76 50.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.396 176.457 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 21.9 t0 -94.52 124.71 38.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.907 -175.772 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -107.3 112.37 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -173.803 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.3 tp -101.53 113.32 26.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.031 178.704 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.54 85.72 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.404 0.621 . . . . 0.0 110.088 178.311 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.522 ' CG2' ' HA ' ' A' ' 79' ' ' ARG . 25.7 m -62.94 142.74 58.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.588 -176.388 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 131.07 34.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.042 174.144 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.21 64.88 1.94 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.63 -176.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.596 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -143.71 153.2 42.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -75.65 -12.71 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.46 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 m-20 -56.67 -71.6 0.09 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.469 0.652 . . . . 0.0 110.446 176.038 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.596 ' H ' HD11 ' A' ' 72' ' ' LEU . 95.2 m-85 -89.65 64.8 6.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.703 -178.228 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.64 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.042 177.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.712 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.14 -6.56 46.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.768 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.894 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 70.3 mt -109.13 -31.56 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.925 0.393 . . . . 0.0 110.403 178.193 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.522 ' HA ' ' CG2' ' A' ' 69' ' ' THR . 56.6 ttp180 -92.86 -65.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 111.269 179.864 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.85 -53.71 9.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.564 0.697 . . . . 0.0 110.924 -173.012 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.712 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -76.75 -16.97 59.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.683 -170.759 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.894 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -84.59 -14.07 49.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -174.282 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' HB2' HG22 ' A' ' 114' ' ' VAL . 18.1 m-30 -75.07 22.65 0.11 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 23.9 mmt180 -75.47 -82.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 179.484 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 m -80.19 44.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 112.055 -173.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.61 119.25 2.83 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 176.768 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.579 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.1 pm0 -90.3 -41.46 11.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.711 0.255 . . . . 0.0 110.781 -179.03 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 87' ' ' GLU . . . -93.9 131.69 10.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.151 -175.031 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -131.18 132.64 44.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.89 0.376 . . . . 0.0 111.409 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 109.64 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 176.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 HD23 HG23 ' A' ' 20' ' ' VAL . 73.9 mt -84.96 106.67 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.71 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.691 HG11 ' HB ' ' A' ' 126' ' ' VAL . 30.5 m -110.04 133.41 55.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.968 0.413 . . . . 0.0 111.24 -176.811 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.494 ' HA ' HG12 ' A' ' 25' ' ' VAL . 28.0 p90 -143.31 158.42 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.968 176.102 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 p -97.15 129.88 44.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 177.696 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.42 20.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -174.161 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 132' ' ' LEU . 33.5 p -116.5 -31.76 5.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 174.433 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.3 109.67 20.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.704 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -56.78 -44.81 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.627 -175.349 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -14.67 61.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -173.091 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.9 m -72.57 -32.23 65.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.13 -39.33 60.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.992 174.511 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 m -63.82 -32.08 73.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 176.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.32 61.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -175.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.5 p -55.14 -41.59 71.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.545 -178.096 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.26 80.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.47 -44.61 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.05 179.052 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.456 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.8 m-85 -58.19 -44.72 88.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.111 0.481 . . . . 0.0 109.931 175.962 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -55.52 -53.41 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.068 -178.472 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -64.28 -36.18 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.26 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -26.94 65.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.398 178.349 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -79.05 -46.0 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.458 178.033 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.24 -44.77 28.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -57.89 -33.87 69.2 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.695 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 83' ' ' PHE . 35.2 m -85.07 -1.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.617 -177.402 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.7 mtmm -141.24 -85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.916 -178.676 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.32 -62.33 0.32 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.724 0.809 . . . . 0.0 112.858 177.452 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -84.04 31.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.66 0.384 . . . . 0.0 111.672 -172.995 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 13.4 mm-40 -87.64 -166.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.751 178.199 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.63 -82.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 174.726 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.947 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 31.9 mmmt -149.17 128.28 12.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.499 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 54.3 mt -101.92 110.5 62.38 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.696 0.284 . . . . 0.0 110.841 -178.105 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.579 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.1 Cg_endo -88.02 126.29 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.303 2.669 . . . . 0.0 112.141 177.436 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.8 141.44 48.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.599 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.716 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.6 tp -133.42 121.55 22.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.971 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -89.54 123.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.8 179.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.691 ' HB ' HG11 ' A' ' 92' ' ' VAL . 60.8 t -119.08 123.85 72.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 -177.312 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.18 126.78 8.81 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.298 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.54 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 4.8 p30 -113.48 165.95 11.98 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.2 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 35.7 mmtm 73.39 13.94 4.51 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.886 0.741 . . . . 0.0 110.297 -174.595 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 m -68.98 -4.6 17.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.231 0.539 . . . . 0.0 110.519 179.034 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.187 175.334 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.522 ' CD1' HG23 ' A' ' 96' ' ' THR . 84.8 mt -69.41 -61.45 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.655 -179.344 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 65.46 -69.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.765 0.665 . . . . 0.0 111.409 -178.099 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.9 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 8.0 pt-20 -59.96 -29.99 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 0.0 110.979 -178.784 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.9 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.4 mtt180 -102.15 12.93 36.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.316 -173.661 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -61.28 112.95 2.35 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.668 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.19 -26.04 18.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.361 -174.099 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.9 116.6 56.94 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.103 174.083 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.94 113.48 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.782 2.321 . . . . 0.0 111.385 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.22 -4.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -171.229 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.86 -50.78 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.347 179.182 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.84 -27.35 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 178.5 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.8 88.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 0.0 110.428 177.873 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -68.15 -36.76 80.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.35 175.282 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -62.49 -33.48 74.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.074 178.386 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.9 mmtt -63.67 -30.79 71.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.55 178.767 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.1 -45.78 91.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.043 0.449 . . . . 0.0 110.213 176.151 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.34 -34.78 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.402 179.07 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -37.24 80.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.974 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -97.21 -5.92 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -176.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.48 34.38 40.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.428 179.386 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.66 -172.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.29 . . . . 0.0 110.784 -178.871 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.716 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.5 pm0 -114.08 151.99 31.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.528 174.834 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.475 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 57.9 t80 -123.03 122.03 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.078 176.939 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.19 133.4 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.269 -179.583 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -92.98 129.72 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 0.0 110.404 176.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -112.76 134.93 54.03 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.866 -178.7 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.7 m -107.8 124.74 50.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.27 -8.77 23.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 -176.308 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -76.57 -47.61 21.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.019 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.2 t -99.83 -5.53 28.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.524 178.326 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 60.74 80.61 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.072 -179.229 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.37 136.96 38.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -177.647 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 69.13 4.55 4.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.095 0.872 . . . . 0.0 111.809 177.559 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.0 t -69.34 -46.14 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.128 -175.9 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.523 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 4.0 m-20 -70.12 -42.41 72.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -177.716 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.31 -44.84 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.269 -170.566 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.4 m -57.39 -33.41 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.041 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.18 -43.84 69.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.722 0.296 . . . . 0.0 110.336 177.592 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -66.89 -41.49 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.859 178.749 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.29 -51.38 69.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.935 179.248 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.634 HD22 HG13 ' A' ' 17' ' ' VAL . 39.3 tp -66.52 -35.72 80.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -178.108 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.519 ' HE1' HG21 ' A' ' 55' ' ' VAL . 60.3 mtm -63.51 -33.35 75.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.164 178.452 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 21.2 mmt180 -64.77 -37.25 86.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.675 0.274 . . . . 0.0 110.662 177.639 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 15.1 mt-10 -69.79 -40.9 75.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.721 0.296 . . . . 0.0 110.515 176.197 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.428 HG23 ' HG3' ' A' ' 87' ' ' GLU . 76.1 mt -55.75 -38.85 52.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.463 -178.586 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 16.4 ptt180 -68.73 -45.68 70.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.903 -177.537 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 177' ' ' ARG . 26.3 m -64.29 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.464 -179.674 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.947 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.5 mptt -58.24 -57.34 13.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.659 178.317 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -76.41 -33.79 58.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -174.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.3 mtt . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.298 177.316 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.519 ' O ' HG12 ' B' ' 398' ' ' ILE . 16.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.18 -27.78 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.998 -178.384 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -55.49 -53.7 53.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.267 174.824 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.7 90.62 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.533 ' O ' HG13 ' B' ' 402' ' ' ILE . 13.7 mm -58.89 -54.2 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.041 176.707 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.29 -37.61 78.14 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.909 -177.876 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 41.1 mm-40 -58.19 -47.74 82.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 178.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.588 ' HB3' HD22 ' B' ' 439' ' ' LEU . 48.0 mm-40 -71.67 -36.84 70.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.579 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.8 mt -53.94 -54.04 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.944 179.703 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.422 ' HA ' ' HB2' ' B' ' 406' ' ' GLU . 11.2 ptp85 -69.78 -28.55 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.398 -178.412 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 74.3 ttt180 -59.02 -52.14 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.852 175.167 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' B' ' 436' ' ' LEU . 72.6 mm-40 -73.73 -27.59 61.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 39.4 mt-10 -59.09 -50.01 75.68 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.259 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.34 -44.57 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.726 178.71 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.555 ' O ' HD23 ' B' ' 412' ' ' LEU . 69.3 mt -61.85 -51.48 68.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.691 -179.058 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.513 HD11 HG13 ' B' ' 432' ' ' VAL . 36.2 tp -64.56 -35.41 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.836 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -65.12 -41.67 94.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.549 178.655 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -59.77 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.679 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.555 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -58.73 -37.83 77.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 175.268 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.832 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 9.9 m-70 -62.6 -45.11 94.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.232 177.816 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -77.39 -33.9 55.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.521 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -56.81 -51.86 67.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.645 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 53.0 mt -71.84 -26.79 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.228 -177.159 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.47 -17.4 62.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.384 179.39 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -86.19 17.15 39.39 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.674 179.659 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.87 20.22 76.47 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.645 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 40.0 mt -120.15 142.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' B' ' 416' ' ' LEU . 60.1 pttt -149.13 150.63 33.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.345 0.593 . . . . 0.0 111.288 174.32 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.602 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.5 t70 -146.7 160.19 42.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.434 179.798 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.17 -36.14 83.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.358 . . . . 0.0 110.993 -176.004 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 34.8 t -64.52 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.117 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.602 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.8 mmtt -64.21 -52.02 60.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.654 0.74 . . . . 0.0 109.698 -179.715 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.92 -46.0 92.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.128 -1.397 . . . . 0.0 110.985 -175.523 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.24 -48.34 80.38 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.385 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.588 ' O ' HG11 ' B' ' 432' ' ' VAL . 16.3 mmt180 -60.75 -37.04 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.61 178.897 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' B' ' 429' ' ' LEU . 11.2 mt -55.7 -56.2 23.28 Favored 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 123.122 0.264 . . . . 0.0 111.443 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.469 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 78.2 m95 -66.0 -30.39 70.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.562 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 34.4 tt0 -71.67 -56.75 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.935 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.588 HG11 ' O ' ' B' ' 428' ' ' ARG . 7.6 p -63.58 -32.79 58.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.122 0.487 . . . . 0.0 110.215 -179.275 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -55.74 -50.95 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.623 175.61 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.562 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 0.8 OUTLIER -67.58 -26.63 66.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.714 -176.887 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.578 HD13 ' HA ' ' B' ' 432' ' ' VAL . 38.0 mt -75.63 -46.14 37.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.459 176.519 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.504 HD12 ' HE3' ' B' ' 440' ' ' LYS . 3.1 tm? -57.11 -42.63 81.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.156 177.363 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.433 HG23 ' HA ' ' B' ' 434' ' ' ARG . 8.6 t -72.63 -34.85 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.311 -178.073 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.41 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.313 0.578 . . . . 0.0 109.762 176.884 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' B' ' 401' ' ' GLU . 2.2 mp -63.22 -44.05 96.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.472 177.607 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . 0.504 ' HE3' HD12 ' B' ' 436' ' ' LEU . 83.4 mttt -63.43 -34.31 77.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.511 178.286 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.06 -47.06 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 177.083 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -63.27 -31.44 72.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 179.894 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.11 -49.83 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.006 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . 0.88 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 2.8 mmp_? -84.02 -1.89 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.937 0.398 . . . . 0.0 112.047 178.539 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -80.28 -22.76 41.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.777 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.403 178.486 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 1.59 36.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.075 0.941 . . . . 0.0 109.905 175.464 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 2.4 pt? -144.28 148.03 34.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.336 175.108 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.546 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 57.3 m-70 -136.37 136.32 39.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -172.074 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -114.56 115.81 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 176.994 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.22 112.48 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.151 177.917 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' A' ' 89' ' ' PHE . 56.7 mt -90.87 123.91 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -176.174 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.444 ' HE1' HD12 ' A' ' 90' ' ' LEU . 8.5 mmt -77.28 107.65 9.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.876 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.437 ' HB ' HD23 ' A' ' 91' ' ' LEU . 51.4 t -95.0 133.16 36.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.982 0.42 . . . . 0.0 111.266 -172.714 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.04 160.35 27.35 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.714 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -64.85 -40.68 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.297 178.527 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 71' ' ' GLY . . . -132.23 -70.04 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.654 175.386 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 69.57 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.253 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 94' ' ' SER . 44.8 t -44.47 -55.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.167 0.587 . . . . 0.0 112.174 -178.918 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.476 ' HA3' ' OD1' ' A' ' 128' ' ' ASN . . . -152.2 16.97 0.79 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.201 177.831 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HZ1' ' HA ' ' A' ' 68' ' ' ASP . 19.8 ptmt -63.26 -43.96 96.51 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.964 -0.139 . . . . 0.0 111.259 -176.904 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -65.95 -30.85 71.49 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -177.762 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.99 -47.06 54.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.104 0.478 . . . . 0.0 110.854 178.49 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.14 -39.34 89.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.469 -177.071 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -67.26 -32.08 72.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.668 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.38 -41.93 88.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.033 175.987 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB2' HG13 ' A' ' 165' ' ' VAL . 88.0 mt-30 -76.03 -15.43 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.654 -177.887 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -72.38 -27.19 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 110.529 175.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.407 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 66.6 mtm -107.41 -51.39 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.185 -178.058 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.91 -28.5 15.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.234 -175.326 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.7 t0 62.63 31.14 16.94 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.041 0.924 . . . . 0.0 109.725 -176.576 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -117.92 156.98 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.554 178.517 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -85.16 150.51 24.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.67 107.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.533 0.682 . . . . 0.0 112.168 -174.275 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.74 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.591 172.381 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.99 121.28 13.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.786 177.345 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -163.64 93.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.246 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.9 tp10 -93.41 -39.37 0.33 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.816 178.85 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 66.2 Cg_exo -40.22 136.95 1.5 Allowed 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 122.26 1.973 . . . . 0.0 111.711 171.4 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 45' ' ' PRO . 2.9 t 171.24 -10.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.601 -166.734 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' O ' HD13 ' A' ' 78' ' ' ILE . 21.8 mtpp -72.63 -58.95 2.97 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 -171.529 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.41 11.51 7.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.741 0.781 . . . . 0.0 109.43 174.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -78.31 125.95 30.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.895 -175.876 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 70.1 m -152.67 163.46 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -177.856 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -133.96 139.0 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 0.0 111.803 -171.198 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -95.97 107.01 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.119 170.848 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 50.6 tptt -97.82 128.62 44.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 -178.24 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.666 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 36.4 ttpt -107.5 126.85 53.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.282 0.563 . . . . 0.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 m -129.03 143.88 39.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.255 178.33 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 13.9 p -92.08 119.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.573 0.701 . . . . 0.0 110.997 -175.266 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB2' HG23 ' A' ' 62' ' ' VAL . 53.8 mt -113.81 106.63 14.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.544 179.612 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 73.89 7.96 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.783 172.546 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.46 -32.31 2.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.38 175.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.38 140.65 37.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.723 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.666 ' HB3' ' HD2' ' A' ' 54' ' ' LYS . 65.8 mt-10 -76.76 116.56 17.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.476 0.655 . . . . 0.0 109.777 178.053 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 57' ' ' LEU . 3.1 t -107.24 154.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.337 -171.679 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 39.2 mt-30 -112.38 135.52 52.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.048 0.451 . . . . 0.0 111.985 -170.998 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 HD12 ' HE3' ' A' ' 173' ' ' MET . 16.5 tt -125.21 127.74 72.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.36 0.6 . . . . 0.0 109.499 171.892 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 23.2 t0 -101.87 120.56 40.58 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.212 -173.513 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 50' ' ' SER . 36.3 mm -109.12 113.64 44.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.889 -174.867 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD11 ' OG ' ' A' ' 50' ' ' SER . 44.3 tp -101.08 127.34 47.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' HA ' ' HZ1' ' A' ' 27' ' ' LYS . 8.4 t70 -98.98 -177.54 3.66 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.641 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -148.57 141.16 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.102 0.41 . . . . 0.0 112.076 -171.444 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.12 126.0 30.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.323 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 23' ' ' GLY . . . -79.18 62.02 4.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.155 -174.971 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -160.61 156.68 26.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.784 0.326 . . . . 0.0 111.136 -179.679 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.97 -12.06 55.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.615 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.455 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.6 m-20 -53.94 -52.39 60.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.449 0.642 . . . . 0.0 110.447 178.326 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.433 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.9 m-85 -104.07 65.37 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.616 176.576 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.77 -25.42 60.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.206 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.975 ' HA ' ' HB3' ' A' ' 81' ' ' ASN . . . -67.17 -5.85 15.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.15 179.26 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 47' ' ' LYS . 51.4 mt -96.92 -43.03 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.981 179.171 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -93.84 -66.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.565 0.697 . . . . 0.0 110.917 177.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.44 -55.99 5.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.582 -168.086 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.975 ' HB3' ' HA ' ' A' ' 77' ' ' ALA . 8.5 t-20 -71.41 -16.14 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.665 -173.115 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -82.0 -20.16 38.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.838 -178.633 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.586 ' HB2' HG21 ' A' ' 114' ' ' VAL . 21.5 m-85 -70.09 81.43 0.5 Allowed 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.988 0.423 . . . . 0.0 110.366 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.424 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 19.8 mmm180 -145.04 -79.45 0.18 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 179.628 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 m -72.38 -5.0 33.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.867 -176.673 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.46 136.61 15.23 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.436 175.865 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.564 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 35.8 tt0 -93.84 -62.49 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 -177.521 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.8 141.46 18.67 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.533 -175.939 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CE1' HD11 ' A' ' 18' ' ' ILE . 98.5 m-85 -125.62 127.28 46.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 110.977 179.05 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -103.08 109.68 21.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' HB ' ' A' ' 20' ' ' VAL . 52.8 mt -91.24 107.82 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.026 -177.458 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.715 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.5 m -101.91 141.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.0 111.953 -176.033 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -150.6 175.58 11.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.511 174.778 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB2' HG13 ' A' ' 25' ' ' VAL . 47.2 t -118.01 143.84 46.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.319 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.457 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.64 -0.84 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.968 179.881 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 135' ' ' ARG . 43.1 p -111.17 -7.68 14.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 174.028 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.26 91.32 3.57 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.937 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -69.38 -22.18 63.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.25 -177.265 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.6 -52.77 64.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.882 177.798 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -71.73 -25.77 62.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.839 178.584 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.44 -45.14 95.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.821 0.343 . . . . 0.0 110.234 176.308 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.231 0.539 . . . . 0.0 110.3 177.111 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.07 -15.31 63.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.117 -177.499 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 45.2 p -58.24 -36.99 74.02 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 178.429 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.39 88.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.265 177.005 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 9.8 tp10 -64.12 -37.44 87.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.948 178.823 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -62.89 -49.21 75.71 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.274 175.522 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -56.48 -50.8 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.131 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.7 -28.76 68.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.821 -178.861 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.8 tp-100 -63.86 -41.3 97.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 178.212 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 107' ' ' PHE . 68.2 mt -61.34 -43.68 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.988 179.555 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -73.23 -21.36 60.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.948 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -78.92 -26.98 43.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 -177.672 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.1 m -107.88 -24.06 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.678 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 25.0 mtpp -110.03 -88.77 0.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.245 -179.406 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.02 -60.93 0.29 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.1 46.03 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.027 0.442 . . . . 0.0 111.591 -173.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 5.6 mm-40 -102.87 -162.4 0.91 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.856 -176.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.07 -69.61 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.52 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -144.95 129.3 17.82 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.214 177.654 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.438 HG21 HG21 ' A' ' 111' ' ' ILE . 68.9 mt -105.69 107.3 59.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.635 ' HG3' ' HZ1' ' A' ' 179' ' ' LYS . 87.2 Cg_endo -90.82 127.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.19 2.593 . . . . 0.0 112.771 176.104 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.7 122.59 42.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.486 -179.231 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.613 HD11 ' HG2' ' A' ' 153' ' ' GLN . 10.8 tp -114.2 120.55 40.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.071 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.14 122.41 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.482 -176.837 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.715 ' HB ' HG11 ' A' ' 92' ' ' VAL . 41.3 t -108.65 109.86 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.538 -176.948 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.88 112.36 3.7 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.038 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.476 ' OD1' ' HA3' ' A' ' 26' ' ' GLY . 3.7 t-20 -100.98 172.69 6.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.971 0.385 . . . . 0.0 110.335 -176.027 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 71.09 21.04 4.99 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.664 0.602 . . . . 0.0 111.367 175.337 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.5 m -62.19 -7.7 4.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -179.314 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.02 -18.44 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.879 177.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 96' ' ' THR . 72.3 mt -70.33 -73.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.69 -174.709 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 67.18 -65.74 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.458 0.703 . . . . 0.0 111.962 -177.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.879 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.4 pt-20 -59.31 -30.79 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.525 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.879 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 84.5 mtt180 -106.41 14.72 26.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.13 -173.69 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -55.24 121.28 8.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 -177.319 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.22 -28.34 14.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.02 123.85 27.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.731 176.773 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.1 119.12 5.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.64 2.226 . . . . 0.0 111.234 176.483 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.664 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.4 p -74.22 -13.72 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.702 -173.936 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.09 -49.73 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.23 -20.9 60.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 110.477 178.115 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.87 -33.55 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.122 0.487 . . . . 0.0 110.139 175.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 67.7 mtp180 -68.51 -31.89 71.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.364 0.602 . . . . 0.0 109.391 173.348 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 23.0 t -71.91 -36.12 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.098 -176.515 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -52.92 -52.07 59.07 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.533 176.481 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.49 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -60.55 -39.1 86.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.99 177.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.03 -37.39 87.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.414 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 145' ' ' SER . 43.8 mt-10 -64.66 -35.64 81.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.391 . . . . 0.0 110.954 177.416 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -84.55 -4.76 59.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -177.296 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.29 27.92 65.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.79 179.9 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 -178.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.613 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -101.58 153.59 19.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.466 172.911 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 52.4 t80 -117.57 120.03 36.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.422 ' HB ' HG12 ' A' ' 168' ' ' VAL . 47.0 t -115.24 125.78 72.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.551 -179.748 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -89.55 126.91 35.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.108 177.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.5 p -114.15 129.05 56.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.482 0.658 . . . . 0.0 111.303 -175.231 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.0 m -109.14 127.13 53.92 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.494 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -106.78 -25.18 11.83 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.456 -172.726 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.36 -40.46 23.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.072 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.0 p -90.54 -13.1 35.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.494 176.733 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 61.1 87.61 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.395 179.555 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.22 128.21 12.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.903 -178.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 66.87 18.57 10.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.747 0.655 . . . . 0.0 111.936 175.478 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.534 HG13 ' HB2' ' A' ' 33' ' ' GLN . 85.4 t -66.87 -50.08 68.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -178.123 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -76.24 -18.35 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -178.388 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.26 -48.54 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.451 -175.226 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' A' ' 155' ' ' VAL . 30.6 m -62.47 -30.95 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.279 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.6 -51.05 15.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.147 -177.868 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 49.4 m-85 -68.71 -34.4 75.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.146 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.05 -52.3 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.194 -177.118 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.06 -26.63 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.271 0.558 . . . . 0.0 109.918 -179.512 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.492 ' HE3' HD12 ' A' ' 64' ' ' ILE . 7.9 ttm -63.3 -39.81 95.61 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.134 176.869 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 9.1 mmm180 -69.42 -34.35 74.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.388 -176.586 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.4 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 0.0 110.967 177.591 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.546 ' HB ' ' HD1' ' A' ' 15' ' ' HIS . 74.3 mt -63.64 -25.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 111.132 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -59.86 -49.59 77.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.542 179.167 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 4.5 m -59.34 -36.46 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.272 -175.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.635 ' HZ1' ' HG3' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.6 -51.65 66.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 180' ' ' LYS . 12.7 mmtp -74.47 -19.69 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.662 -175.42 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.963 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.504 ' O ' HG12 ' B' ' 398' ' ' ILE . 3.6 m . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.638 0.256 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.07 -27.58 68.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.792 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.32 -49.53 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.122 177.45 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.72 -36.73 93.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.699 176.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.517 ' O ' HG13 ' B' ' 402' ' ' ILE . 43.5 mm -60.83 -47.93 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.198 . . . . 0.0 110.557 176.347 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -59.68 -33.97 72.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.593 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.61 -47.35 86.6 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.025 0.441 . . . . 0.0 110.243 176.624 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 19.6 mt-10 -73.25 -35.53 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.976 -178.107 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.55 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.9 mt -56.71 -53.7 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.502 174.549 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.49 -29.42 70.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 -179.021 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.0 ttm180 -60.19 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.254 174.946 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 69.8 mm-40 -72.85 -37.61 67.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.487 -177.567 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 82.7 mt-10 -60.84 -37.65 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.374 179.026 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.85 -47.5 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.806 175.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.7 mt -61.5 -46.5 89.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 -179.768 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.496 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 18.7 tp -61.67 -45.83 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 178.635 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -57.38 -44.51 84.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.937 179.003 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.9 t -60.14 -55.21 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.414 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.505 ' O ' HD12 ' B' ' 416' ' ' LEU . 3.3 mm? -53.97 -39.87 66.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 111.136 177.58 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . 0.496 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 27.1 m-70 -65.14 -48.31 74.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.832 178.381 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -68.69 -44.21 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.243 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.08 -33.99 72.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.955 0.407 . . . . 0.0 111.613 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.4 mp -66.03 -29.37 69.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.8 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.27 -9.51 56.18 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.973 179.411 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.85 3.69 63.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.115 176.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.82 68.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.111 178.256 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.18 119.44 33.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.885 0.374 . . . . 0.0 110.682 -177.895 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -133.42 134.18 43.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 172.405 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.668 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.4 t70 -148.22 162.34 39.67 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.889 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.13 -27.1 69.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.376 0.607 . . . . 0.0 109.618 177.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 11.4 m -73.53 -36.14 65.64 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.035 -178.593 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.1 OUTLIER -70.08 -36.39 74.88 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.695 -173.123 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.572 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.5 pt-20 -73.76 -44.84 54.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.468 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.43 -35.19 80.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.94 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.635 ' O ' HG23 ' B' ' 432' ' ' VAL . 22.7 mmt180 -64.14 -44.62 91.59 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.498 175.605 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 10.9 mt -56.5 -53.87 52.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.704 -179.231 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.477 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 86.7 m95 -62.86 -31.4 72.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.044 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.29 -54.04 20.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.392 174.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 428' ' ' ARG . 21.3 t -56.82 -36.05 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 109.37 178.345 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -56.75 -55.29 36.05 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.475 179.15 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.663 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -68.78 -26.31 65.14 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.441 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.656 HG13 ' HD3' ' B' ' 434' ' ' ARG . 22.1 mt -72.33 -44.15 63.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 110.058 176.001 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -63.49 -44.22 95.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.477 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.663 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.2 t -69.68 -30.86 68.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.011 0.434 . . . . 0.0 110.077 -178.978 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.686 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.86 -43.69 82.92 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.716 173.757 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 0.883 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.444 -178.996 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -58.9 -39.3 81.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.682 0.753 . . . . 0.0 109.793 175.925 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -65.62 -40.72 92.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.962 178.026 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.883 ' HD3' HD12 ' B' ' 439' ' ' LEU . 24.3 mtpp -61.44 -32.4 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.331 176.678 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.494 ' HA ' HG23 ' B' ' 398' ' ' ILE . 44.8 tp -59.57 -44.93 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.716 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -83.74 -2.89 57.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 176.662 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . 0.645 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 30.5 tt0 -82.2 -31.77 30.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 178.328 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.086 -178.176 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.84 8.8 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.468 0.651 . . . . 0.0 110.488 178.361 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -139.24 128.92 24.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.977 177.87 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -136.93 152.62 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.107 0.48 . . . . 0.0 111.891 -176.822 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 23.1 mmtp -122.41 112.52 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.396 178.047 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -121.5 129.79 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.731 -176.596 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 HD13 ' CE2' ' A' ' 89' ' ' PHE . 51.0 mt -107.45 127.91 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.95 -178.046 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.642 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 19.0 mmt -78.58 111.66 14.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.414 173.616 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG21 HD21 ' A' ' 91' ' ' LEU . 16.9 m -115.34 138.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.114 0.483 . . . . 0.0 111.07 -178.493 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.3 158.14 12.78 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.703 -179.163 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -84.14 122.39 28.77 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.843 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 -93.33 1.3 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.453 -175.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' HA2' ' CD ' ' A' ' 27' ' ' LYS . . . 162.01 65.92 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.52 176.511 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.08 -68.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.722 -179.277 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.68 14.11 4.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.395 -179.094 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.847 ' HB3' HG21 ' A' ' 92' ' ' VAL . 11.9 ptmm? -72.41 -11.03 60.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.32 . . . . 0.0 111.491 -175.422 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -109.9 -30.03 8.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 176.796 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.44 -55.08 7.59 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.28 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.6 -31.81 72.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.057 0.456 . . . . 0.0 111.347 -174.745 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.521 HG22 HG23 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -64.37 -39.76 94.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.01 -174.349 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD13 ' HB ' ' A' ' 40' ' ' VAL . 73.3 mt -66.35 -23.16 66.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.653 0.263 . . . . 0.0 111.364 -178.594 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -71.27 -44.2 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.155 0.502 . . . . 0.0 109.915 175.432 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.22 -38.05 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp -70.85 -57.66 4.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.246 -178.878 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 98.7 m-85 -106.06 -80.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -176.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.4 t70 157.59 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.297 0.998 . . . . 0.0 108.946 -172.323 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -95.49 153.89 17.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.025 -172.124 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -83.18 150.5 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.242 -175.181 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.839 ' HB ' HD13 ' A' ' 32' ' ' LEU . 6.4 p -67.68 123.02 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -92.97 -42.85 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.609 176.364 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.58 137.04 8.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.536 172.341 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.38 94.17 0.97 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.652 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.5 mt-10 -74.45 -58.78 1.75 Allowed Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.06 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.3 Cg_exo -58.84 -91.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.456 2.104 . . . . 0.0 114.036 -170.217 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.511 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 40.4 p 50.19 32.39 5.99 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.143 0.577 . . . . 0.0 111.441 -174.235 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 37.7 mtmt -87.24 -50.77 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.778 177.02 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.07 27.59 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.228 178.923 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 22.0 m-20 -89.63 111.46 22.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.3 0.571 . . . . 0.0 110.963 -177.424 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.449 ' HB3' ' HG3' ' B' ' 433' ' ' GLN . 41.9 t -122.45 140.76 52.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.688 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -135.24 132.7 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.789 0.328 . . . . 0.0 110.292 -177.529 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -95.12 127.58 41.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.75 179.533 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -117.18 133.7 55.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.759 -177.52 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -101.31 122.76 44.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.542 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.66 144.7 35.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.107 177.483 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 56' ' ' VAL . 7.3 p -116.56 103.18 14.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.539 0.685 . . . . 0.0 109.76 177.043 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.772 HD13 ' HE ' ' A' ' 174' ' ' ARG . 2.5 pt? -96.46 98.37 10.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.577 0.703 . . . . 0.0 110.435 -177.968 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 61.19 15.64 6.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.098 174.199 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.37 -85.33 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 118.394 -1.86 . . . . 0.0 115.593 -176.426 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' CD ' HH12 ' A' ' 177' ' ' ARG . 8.3 pt-20 -100.61 148.64 24.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 111.595 -168.595 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.45 105.85 5.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.47 174.57 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 13' ' ' ALA . 8.2 t -106.17 136.17 41.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.593 -175.81 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -113.18 123.79 51.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 -176.848 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.478 HD13 ' SD ' ' A' ' 173' ' ' MET . 10.2 tt -122.65 120.07 59.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.836 -175.979 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.3 m-20 -88.3 120.56 29.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.386 176.934 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.521 HG23 HG22 ' A' ' 31' ' ' THR . 47.5 mm -107.15 120.83 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.669 0.271 . . . . 0.0 110.517 -179.334 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.26 115.41 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.428 176.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.5 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 33.1 t0 -98.95 105.87 18.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.029 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -85.57 152.91 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.266 -174.959 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 47' ' ' LYS . . . -73.89 118.89 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.04 173.146 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.62 62.85 3.47 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.763 -178.224 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.62 -172.34 3.28 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.239 0.215 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -100.07 -22.69 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.189 0.519 . . . . 0.0 111.036 -176.861 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.52 -65.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.594 -174.181 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.54 67.79 8.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 -172.787 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.87 -23.83 65.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.19 179.217 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.56 -29.47 70.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.987 178.838 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.514 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 9.8 mt -89.43 -25.01 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.985 -179.137 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -92.04 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.384 -176.072 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.66 -44.94 39.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.901 -173.264 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.558 HD21 ' HA ' ' A' ' 77' ' ' ALA . 93.3 m-20 -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.248 -170.269 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.558 ' OH ' HD11 ' B' ' 409' ' ' LEU . 25.9 m-85 -83.1 -11.34 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.491 174.711 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -76.27 77.8 3.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 179.161 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.483 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 31.3 ttt-85 -162.66 -62.15 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.023 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -67.3 -23.43 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.559 178.825 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.53 124.02 17.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.831 177.818 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 25.0 mt-10 -85.3 -64.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.144 0.497 . . . . 0.0 110.333 -176.785 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.74 150.57 18.79 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.672 -175.661 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' HE2' ' A' ' 115' ' ' LYS . 87.9 m-85 -129.13 128.31 43.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 0.0 110.695 -178.961 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.62 110.66 23.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 176.764 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.702 HD11 HG23 ' A' ' 125' ' ' VAL . 78.3 mt -81.92 107.42 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.356 179.27 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 27' ' ' LYS . 27.2 m -98.23 120.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.557 0.694 . . . . 0.0 111.408 -176.308 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.7 p90 -151.3 166.37 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.974 176.691 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.757 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 12.6 t -118.68 146.49 44.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.931 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.81 -2.04 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.731 -176.752 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.437 ' CG2' HD21 ' A' ' 132' ' ' LEU . 18.8 p -94.28 -28.27 15.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.878 0.371 . . . . 0.0 110.284 171.26 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.757 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.1 mm-40 -90.67 95.56 10.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.858 -177.519 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -67.97 -29.53 68.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.571 -176.863 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.78 -39.7 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.33 . . . . 0.0 110.344 179.09 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 93' ' ' PHE . 17.0 m -62.91 -37.54 87.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.377 178.33 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.41 -42.99 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.809 179.856 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.9 m -69.29 -34.15 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 111.253 -179.946 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.94 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.695 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.52 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 67.7 p -61.02 -28.89 69.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -177.63 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.11 80.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.729 -178.696 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.93 -42.36 94.76 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.703 -179.636 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 13.0 m-85 -60.48 -50.58 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.863 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -51.28 -58.41 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.447 -178.532 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.84 -30.35 69.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.462 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.63 -32.67 68.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.014 0.435 . . . . 0.0 110.242 -179.678 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.1 mt -65.76 -47.81 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.782 177.865 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.82 -19.47 65.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.743 -179.321 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -71.06 -41.93 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.629 HG21 ' HG3' ' A' ' 115' ' ' LYS . 34.5 m -101.23 -19.97 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.554 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 114' ' ' VAL . 24.5 mtpp -119.4 111.25 17.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.683 0.277 . . . . 0.0 111.432 -175.929 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.51 20.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 110.476 172.82 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.474 ' CD ' HH21 ' A' ' 84' ' ' ARG . 28.4 mt-10 -105.15 -0.06 26.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.999 -174.475 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.46 -170.82 1.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.477 -169.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.45 -75.37 0.05 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.294 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.576 ' HB2' ' CG ' ' A' ' 179' ' ' LYS . 65.6 mmtt -157.09 161.49 39.44 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.386 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mt -109.67 102.84 51.5 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 -177.813 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_endo -88.42 116.62 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.757 2.971 . . . . 0.0 112.638 179.6 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.75 152.39 24.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.301 176.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.645 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -136.08 120.81 18.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.712 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.702 HG23 HD11 ' A' ' 91' ' ' LEU . 10.7 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.531 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -109.01 116.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -174.366 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.61 101.41 2.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.634 177.295 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.463 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.4 m120 -82.64 143.9 30.67 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 -178.692 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.431 ' HD2' ' OD1' ' A' ' 131' ' ' ASP . 23.9 tptm 63.34 71.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.789 0.681 . . . . 0.0 110.24 177.768 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.7 p -97.18 9.4 42.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.388 0.614 . . . . 0.0 109.783 176.437 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.431 ' OD1' ' HD2' ' A' ' 129' ' ' LYS . 4.0 m-20 -67.16 -20.97 65.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.218 -176.91 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.6 OUTLIER -72.11 -47.73 49.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 -179.291 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 62.22 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.378 0.671 . . . . 0.0 112.1 -179.132 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.29 -27.65 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.573 -173.647 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 48.5 mtt180 -84.38 17.54 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 -177.331 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -64.17 114.38 4.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.101 0.476 . . . . 0.0 110.753 -178.076 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -176.894 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.84 112.48 32.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 134.61 53.99 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.784 2.322 . . . . 0.0 112.025 -179.571 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.597 HG13 ' HG3' ' A' ' 144' ' ' ARG . 5.4 t -58.77 -26.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.823 178.763 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.31 -36.15 68.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -78.79 -40.87 31.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.342 0.591 . . . . 0.0 110.264 178.722 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.203 179.179 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.597 ' HG3' HG13 ' A' ' 140' ' ' VAL . 78.6 mtp180 -65.09 -34.97 79.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.32 178.253 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -59.18 -45.2 91.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.22 176.351 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 65.9 mmtt -66.13 -36.22 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.133 179.633 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.35 80.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.251 0.548 . . . . 0.0 110.17 174.566 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -72.72 -49.29 32.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.545 178.384 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.11 -43.59 91.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.633 -177.452 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -83.06 -25.62 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -176.692 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.71 45.09 5.29 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.18 -179.651 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.9 m -132.85 -174.91 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 -177.691 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . 0.645 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -106.08 156.75 18.11 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 175.785 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.41 ' HE2' HG12 ' A' ' 140' ' ' VAL . 78.3 t80 -128.87 123.26 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.164 178.141 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.418 HG13 ' ND2' ' A' ' 164' ' ' ASN . 96.9 t -132.73 125.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -178.61 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -86.05 144.92 27.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.811 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 p -135.65 130.78 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 111.841 -173.223 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 p -118.29 102.3 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.148 175.804 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.35 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.891 -177.113 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.98 -42.95 36.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 178.042 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 16.6 p -110.41 5.24 21.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.408 -179.519 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 64.01 24.57 13.61 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.097 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -80.91 122.42 27.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.878 -174.018 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.418 ' ND2' HG13 ' A' ' 155' ' ' VAL . 1.0 OUTLIER 66.5 11.45 8.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.169 174.394 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.4 t -75.63 -37.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 -177.156 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.37 -38.46 84.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.727 -178.342 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.353 -174.736 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -57.77 -32.89 43.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -173.308 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -75.52 -52.57 10.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 179.244 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -69.09 -39.01 79.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.551 -176.057 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.72 -50.05 75.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.203 -177.532 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.0 tp -67.82 -39.04 83.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.811 -177.491 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.478 ' SD ' HD13 ' A' ' 64' ' ' ILE . 41.8 mtm -60.91 -34.36 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.592 -179.903 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.772 ' HE ' HD13 ' A' ' 57' ' ' LEU . 7.2 mmt85 -75.97 -38.05 57.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.857 178.389 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.606 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.8 mm-40 -61.25 -35.57 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 176.352 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 83.6 mt -59.11 -40.63 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 109.96 173.744 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.413 HH12 ' CD ' ' A' ' 60' ' ' GLU . 29.6 mtp180 -68.6 -37.59 79.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 m -55.52 -42.76 74.98 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.408 0.623 . . . . 0.0 110.011 174.474 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.3 mptt -70.69 -41.45 71.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.534 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 75.1 mmtt -62.56 -33.19 74.44 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.248 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.5 mtt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.476 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 394' ' ' THR . . . . . 0.524 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.6 m . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 395' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 52.2 mt-30 -60.69 -36.17 78.09 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.11 178.063 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 396' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.05 -55.18 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.952 0.406 . . . . 0.0 110.726 177.475 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.82 95.03 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.233 178.69 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 394' ' ' THR . 45.5 mm -61.5 -47.69 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 110.714 177.655 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 399' ' ' LYS . . . . . 0.48 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 56.5 mtpt -63.8 -36.88 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.183 -178.132 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 400' ' ' GLU . . . . . 0.614 ' HG2' HH21 ' B' ' 403' ' ' ARG . 32.6 mt-10 -68.03 -36.06 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.246 176.832 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.98 -39.59 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.96 177.252 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 402' ' ' ILE . . . . . 0.523 ' HA ' HD12 ' B' ' 439' ' ' LEU . 96.6 mt -56.14 -53.15 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.228 174.263 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 403' ' ' ARG . . . . . 0.614 HH21 ' HG2' ' B' ' 400' ' ' GLU . 49.8 mtm180 -55.57 -38.16 69.01 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.032 0.444 . . . . 0.0 110.873 -178.777 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 404' ' ' ARG . . . . . 0.669 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.3 ttm180 -62.17 -52.09 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.779 -179.756 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 405' ' ' GLN . . . . . 0.592 HE21 HG22 ' B' ' 432' ' ' VAL . 15.5 mm100 -73.0 -27.44 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.61 -177.455 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.52 -54.12 50.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.39 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.69 -41.29 97.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.152 -179.462 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 408' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 60.7 mt -60.2 -50.86 72.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 -179.223 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 409' ' ' LEU . . . . . 0.558 HD11 ' OH ' ' A' ' 82' ' ' TYR . 42.4 tp -70.18 -36.17 74.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.016 178.986 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.45 -47.65 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.421 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.3 t -59.77 -40.98 90.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.004 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 412' ' ' LEU . . . . . 0.76 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 56.6 mt -58.73 -49.69 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 173.739 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -57.29 -48.47 78.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.395 -177.992 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.55 -31.53 69.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -176.697 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.17 -48.2 62.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.621 178.342 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 416' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 23.3 mt -61.61 -42.15 98.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.47 -9.76 28.42 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.442 -178.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.48 -10.51 85.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.511 173.7 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.24 16.15 11.63 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.529 178.898 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 420' ' ' ILE . . . . . 0.645 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 25.2 mt -131.98 117.45 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 O-C-N 122.838 -0.213 . . . . 0.0 111.211 -178.451 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 421' ' ' LYS . . . . . 0.468 ' CB ' HD21 ' B' ' 416' ' ' LEU . 0.0 OUTLIER -135.5 165.14 26.21 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 172.185 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' B' B ' 422' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 20.5 t70 -147.79 154.35 40.37 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.084 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.45 -30.41 68.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 -177.589 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -35.48 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.12 177.647 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 425' ' ' LYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 429' ' ' LEU . 20.0 mttt -73.37 -43.94 59.65 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -177.152 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 426' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' B' ' 429' ' ' LEU . 1.1 mm-40 -57.15 -41.64 79.52 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.086 -177.502 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.586 178.785 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 428' ' ' ARG . . . . . 0.509 ' O ' HG11 ' B' ' 432' ' ' VAL . 23.8 mmt180 -59.53 -40.97 88.91 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.012 176.269 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 429' ' ' LEU . . . . . 0.657 HD12 HD11 ' B' ' 416' ' ' LEU . 84.1 mt -55.82 -54.87 39.21 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.723 -177.514 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 430' ' ' TRP . . . . . 0.539 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 57.8 m95 -61.31 -41.57 97.21 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.197 0.311 . . . . 0.0 111.745 -178.017 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 431' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 7.9 tp10 -70.65 -53.79 14.43 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.265 -176.145 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 432' ' ' VAL . . . . . 0.592 HG22 HE21 ' B' ' 405' ' ' GLN . 12.3 p -60.61 -33.73 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 0.0 110.709 -179.512 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 433' ' ' GLN . . . . . 0.449 ' HG3' ' HB3' ' A' ' 50' ' ' SER . 25.9 tp60 -56.29 -53.31 58.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.303 177.766 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 434' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 0.0 OUTLIER -71.04 -26.61 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.505 -179.059 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' B' B ' 435' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' B' ' 432' ' ' VAL . 84.1 mt -66.2 -47.96 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.56 175.588 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 436' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' B' ' 439' ' ' LEU . 49.8 tp -58.1 -40.63 81.67 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.782 0.325 . . . . 0.0 111.692 176.359 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 437' ' ' THR . . . . . 0.521 HG23 ' HA ' ' B' ' 434' ' ' ARG . 4.1 t -74.24 -31.6 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 -177.299 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 438' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.91 -37.0 86.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.974 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 439' ' ' LEU . . . . . 1.065 HD22 ' HD3' ' B' ' 442' ' ' LYS . 63.9 mt -62.0 -37.12 83.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.788 176.168 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.25 -38.84 81.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 109.571 175.246 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -66.68 -44.66 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.264 177.851 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 1.065 ' HD3' HD22 ' B' ' 439' ' ' LEU . 53.6 mtpt -58.24 -40.48 81.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.159 178.468 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 443' ' ' LEU . . . . . 0.432 ' HB2' HD13 ' B' ' 402' ' ' ILE . 62.5 tp -61.21 -42.93 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.012 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.057 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -90.32 -39.21 12.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.95 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' B' B ' 446' ' ' ALA . . . . . 0.418 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.294 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -128.84 10.12 5.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.928 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -67.37 -22.97 65.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HD2' ' A' ' 180' ' ' LYS . 19.9 m -88.19 3.51 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.458 0.647 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.72 -25.05 11.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.48 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -84.79 2.54 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -124.93 124.45 42.07 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.219 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -123.86 138.73 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.661 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.664 ' HD3' ' HB3' ' A' ' 65' ' ' ASP . 62.3 mmtt -118.11 116.31 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' HB ' HD12 ' A' ' 66' ' ' ILE . 97.7 t -129.68 121.93 53.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 0.0 111.208 -176.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.569 HD11 ' CE2' ' A' ' 89' ' ' PHE . 57.5 mt -105.14 131.75 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.09 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.538 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 44.3 ttm -111.06 118.65 36.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.891 0.376 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.08 162.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.32 -165.76 20.99 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 21.3 t -92.97 4.95 53.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.653 0.74 . . . . 0.0 109.762 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.68 -64.94 0.49 Allowed Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.93 -91.17 1.77 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.1 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG12 HG13 ' A' ' 92' ' ' VAL . 96.8 t 71.23 -51.75 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.415 0.686 . . . . 0.0 111.448 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.623 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 139.03 24.38 0.32 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.55 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.5 pttp -81.25 12.15 3.76 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -106.8 -33.34 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.18 69.14 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.99 -39.81 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.159 0.504 . . . . 0.0 110.707 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -49.88 66.97 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.256 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.762 HD22 HG22 ' A' ' 40' ' ' VAL . 10.8 mp -62.52 -35.06 78.2 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 121.288 -0.165 . . . . 0.0 111.204 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.77 -48.93 79.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.597 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -71.17 -14.43 62.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.521 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.56 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 72.0 mtm -106.49 -47.5 3.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.07 -13.18 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.32 23.16 13.66 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.881 0.372 . . . . 0.0 110.646 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -116.0 145.03 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.661 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -84.69 143.19 29.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.672 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.762 HG22 HD22 ' A' ' 32' ' ' LEU . 45.8 t -68.1 100.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.859 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.96 -59.96 2.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.202 0.525 . . . . 0.0 109.596 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -154.15 102.69 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.284 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.8 93.4 2.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.509 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 41.7 tt0 -75.26 -64.0 0.64 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.417 -172.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 38.9 Cg_exo -27.67 -104.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.963 3.775 . . . . 0.0 115.699 -167.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.469 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 51.3 p 43.6 37.01 1.34 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.114 0.566 . . . . 0.0 112.318 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -84.63 -55.08 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' HE1' ' B' ' 413' ' ' HIS . . . -125.44 -9.99 6.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.812 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.93 119.03 15.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.8 m -153.3 156.2 37.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.879 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -124.03 162.96 22.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' B' ' 434' ' ' ARG . 33.7 mtm180 -104.62 144.49 31.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.202 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 55.6 tptt -106.28 128.83 54.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.939 0.399 . . . . 0.0 111.108 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.26 115.92 26.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.829 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.503 HG12 ' HG3' ' A' ' 53' ' ' LYS . 14.8 m -126.85 146.2 33.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.29 114.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.335 0.588 . . . . 0.0 110.035 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mp -102.76 100.77 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.551 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 62.99 16.91 9.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.834 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.28 -30.78 2.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 119.62 -1.276 . . . . 0.0 114.136 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.85 129.07 43.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.813 0.807 . . . . 0.0 110.424 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.66 109.53 14.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -106.45 142.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.518 -171.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -113.58 123.71 50.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.293 0.568 . . . . 0.0 111.108 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.625 HD11 ' HE2' ' A' ' 173' ' ' MET . 19.0 tt -108.57 121.21 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.575 0.702 . . . . 0.0 110.009 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.664 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 46.4 t0 -95.66 110.75 22.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.472 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD12 ' HB ' ' A' ' 17' ' ' VAL . 27.7 mm -110.21 142.74 21.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -131.16 117.73 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.491 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 38.4 t0 -91.3 91.33 8.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.2 p -88.18 144.4 26.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.814 -169.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -69.4 130.62 43.05 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.999 171.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.24 97.64 0.22 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' HG ' ' N ' ' A' ' 73' ' ' GLU . 2.4 pt? -142.14 -58.26 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 9.5 tp10 176.08 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.895 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.11 -72.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.743 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' HB3' HD13 ' A' ' 78' ' ' ILE . 95.6 m-85 -80.26 53.42 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.668 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -18.96 65.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.399 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.72 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -71.58 -10.33 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.479 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.532 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 50.6 mt -101.11 -34.37 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.835 0.35 . . . . 0.0 110.07 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 51.4 ttp180 -86.89 -65.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 4.2 m-20 -74.54 -46.67 37.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 -171.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.72 HD21 ' HA ' ' A' ' 77' ' ' ALA . 91.0 m-20 -70.01 -15.96 63.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.884 -174.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 15.2 m-85 -93.32 -9.61 38.28 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.494 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 5.1 m-30 -63.14 -22.93 67.19 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.541 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -58.91 -54.62 45.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 111.793 -174.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.453 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 2.3 m -91.37 37.97 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.923 0.392 . . . . 0.0 111.936 -169.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.37 122.09 4.29 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.53 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.543 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 32.7 mm-40 -65.22 -74.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.757 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.14 155.87 18.6 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.634 -173.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' CE2' HD11 ' A' ' 18' ' ' ILE . 92.6 m-85 -130.03 135.85 48.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.969 0.414 . . . . 0.0 111.092 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 124' ' ' LEU . 96.2 mt -106.99 112.89 26.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.929 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 HG23 ' A' ' 125' ' ' VAL . 48.9 mt -89.47 106.42 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.573 HG21 ' HB ' ' A' ' 126' ' ' VAL . 44.7 t -110.54 117.3 54.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -173.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -138.33 172.9 12.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.34 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.593 ' HG ' ' HB2' ' A' ' 129' ' ' LYS . 8.1 t -121.22 146.52 46.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.46 5.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.838 HG22 HD23 ' A' ' 132' ' ' LEU . 6.3 p -89.49 -17.64 28.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.0 109.742 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.404 ' HB2' ' OG ' ' A' ' 100' ' ' SER . 45.0 mt-10 -110.32 106.7 16.17 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.059 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.88 -23.9 59.65 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.66 -48.27 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.839 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.482 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 13.4 p -70.58 -24.33 62.75 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.433 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.51 -48.84 75.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 m -65.4 -32.36 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.633 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.29 62.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.56 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.6 p -58.3 -39.43 79.31 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.048 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.79 81.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.544 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.71 -46.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.807 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.01 -44.38 91.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.228 0.537 . . . . 0.0 110.033 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.471 ' O ' HD22 ' A' ' 112' ' ' LEU . 61.8 ttt180 -55.91 -51.25 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.702 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.585 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 37.7 mt-10 -69.26 -32.2 71.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.837 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.219 0.533 . . . . 0.0 110.076 174.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.91 -41.35 81.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.78 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.471 HD22 ' O ' ' A' ' 108' ' ' ARG . 3.8 mm? -61.96 -33.08 73.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.585 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 55.5 mtp180 -70.27 -21.97 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.482 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 115' ' ' LYS . 34.6 m -110.21 -17.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.445 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.534 ' HD2' ' OE1' ' A' ' 118' ' ' GLU . 15.5 mtmt -136.42 118.33 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.725 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.26 -31.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.04 4.82 49.07 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' HD2' ' A' ' 115' ' ' LYS . 11.1 pt-20 -86.73 -169.36 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.568 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -82.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.078 0.236 . . . . 0.0 111.407 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.796 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 12.4 mmmm -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 -175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.1 mt -102.47 104.19 36.37 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.779 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_exo -72.94 120.64 6.75 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.17 2.58 . . . . 0.0 111.918 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 89' ' ' PHE . 77.7 mt -119.61 129.27 54.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.71 HD12 ' HG2' ' A' ' 153' ' ' GLN . 8.8 tp -130.91 119.75 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.015 0.435 . . . . 0.0 109.866 175.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.463 HG23 HD12 ' A' ' 91' ' ' LEU . 12.6 t -90.3 121.5 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.691 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.573 ' HB ' HG21 ' A' ' 92' ' ' VAL . 47.5 t -110.29 120.95 62.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.49 -175.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.46 115.96 5.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 56.4 t30 -101.42 155.6 17.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.705 ' HB3' HD22 ' A' ' 132' ' ' LEU . 25.3 mmmt 77.09 42.15 0.14 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.024 0.827 . . . . 0.0 112.302 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -70.97 15.08 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.248 0.547 . . . . 0.0 110.868 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' A' ' 129' ' ' LYS . 3.5 p-10 -103.62 -1.48 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.453 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.838 HD23 HG22 ' A' ' 96' ' ' THR . 2.7 pp -83.88 -45.65 13.0 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.318 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.485 ' N ' HD11 ' A' ' 132' ' ' LEU . 41.5 tt0 62.2 -77.66 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.806 0.843 . . . . 0.0 112.74 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.14 -16.43 59.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.82 7.16 15.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -60.4 119.43 7.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.303 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.46 -16.82 14.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.3 p -128.93 121.38 20.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 24.3 Cg_exo -63.3 132.85 37.79 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.909 2.406 . . . . 0.0 112.281 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.588 HG13 ' HG3' ' A' ' 144' ' ' ARG . 18.2 t -63.4 -22.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.636 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.5 -47.32 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.029 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.407 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 15.7 pt-20 -81.52 -27.56 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.98 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' HG13 ' A' ' 140' ' ' VAL . 38.4 mtp180 -70.33 -32.76 70.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.029 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.5 t -63.36 -35.48 80.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.3 mmtt -65.24 -36.87 85.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.877 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -58.88 -45.58 89.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 0.0 110.014 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.57 -37.58 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.523 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.56 -39.02 86.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.101 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -97.55 -5.75 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -176.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.53 30.39 60.24 Favored Glycine 0 C--O 1.228 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.16 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.5 m -120.28 -170.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.9 pm0 -114.82 150.67 35.13 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.29 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.494 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 85.6 t80 -121.15 124.15 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.507 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.67 134.21 66.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.19 130.29 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.033 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -137.62 173.44 11.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.123 0.487 . . . . 0.0 110.852 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.0 t -169.83 135.94 1.5 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.32 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.03 -6.99 58.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.727 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.601 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 28.1 tptp -77.89 -51.72 9.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.511 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -89.94 -17.82 27.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.886 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 61.44 66.43 0.86 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.628 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -130.72 132.73 45.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.31 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 65.93 16.04 10.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.24 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.529 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 90.7 t -71.15 -42.77 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -52.65 -57.52 9.77 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.54 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.24 -33.84 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 51.2 m-85 -74.97 -51.2 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.9 m-85 -66.17 -43.85 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.195 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.64 -49.3 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.775 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 90' ' ' LEU . 45.5 tp -67.21 -39.42 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.625 ' HE2' HD11 ' A' ' 64' ' ' ILE . 16.2 ptp -67.1 -29.58 69.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.742 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.639 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 18.4 mmm180 -69.33 -39.16 78.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.284 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.58 -35.34 74.11 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.911 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.27 -32.93 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.916 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -65.56 -43.47 89.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.206 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.4 m -62.8 -37.74 87.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.796 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.3 mptt -68.48 -39.43 81.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.075 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.452 ' HD2' ' HB3' ' A' ' 11' ' ' SER . 23.4 mmtm -74.14 -23.98 59.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.1 mtt -81.37 -21.52 39.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 48.7 m 64.79 173.91 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.52 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -107.73 -73.62 0.68 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.052 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 50.55 52.63 14.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.589 0.709 . . . . 0.0 110.212 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.514 -179.311 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 26.3 p -157.47 28.22 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -51.5 -59.84 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.557 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 18.8 m -84.92 -33.06 22.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -64.51 -28.07 69.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.67 -54.51 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.087 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.61 -35.06 91.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.059 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.577 HG21 ' HA ' ' B' ' 443' ' ' LEU . 42.9 mm -65.13 -48.78 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.847 177.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.61 -42.45 92.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.102 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.594 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 7.4 tp10 -68.81 -42.08 77.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' B' ' 443' ' ' LEU . 96.3 mt -55.68 -49.54 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.046 175.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.09 -37.78 75.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.594 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 37.4 ttm180 -63.96 -42.92 97.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.528 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.0 mm-40 -71.12 -38.44 72.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.133 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.04 -41.14 96.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.078 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.29 -48.38 81.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.474 ' HB2' HG21 ' B' ' 432' ' ' VAL . 62.8 mt -56.8 -46.9 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.533 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.498 HD12 ' OH ' ' A' ' 82' ' ' TYR . 12.9 tp -67.96 -46.56 71.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.3 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.38 -48.79 79.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.435 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -59.91 -52.98 63.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.567 ' HB3' HD21 ' B' ' 429' ' ' LEU . 31.2 mt -56.15 -31.2 63.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.023 0.439 . . . . 0.0 111.064 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.451 ' HE1' ' HB3' ' A' ' 48' ' ' ALA . 28.6 m170 -72.52 -48.77 37.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.213 -0.305 . . . . 0.0 111.222 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -68.81 -43.12 76.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 111.032 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.3 -44.76 96.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.469 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.678 HD21 HD13 ' B' ' 429' ' ' LEU . 10.2 mp -75.65 -27.57 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -63.98 -22.01 66.74 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.482 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.61 -2.33 74.97 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.549 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.33 -7.21 51.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.575 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.8 mt -93.62 115.18 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.649 ' HA ' ' HD2' ' B' ' 425' ' ' LYS . 0.0 OUTLIER -146.47 154.4 41.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.136 0.493 . . . . 0.0 109.773 176.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.658 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 18.7 t70 -147.62 158.57 44.06 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.414 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 8.5 mp -64.02 -26.82 68.74 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.364 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.9 m -65.48 -36.18 83.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.494 0.664 . . . . 0.0 109.393 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.658 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 22.4 mttm -73.91 -45.4 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.54 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.441 ' CD ' ' HZ3' ' B' ' 421' ' ' LYS . 36.9 mt-10 -60.38 -45.49 93.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.018 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -68.15 -41.81 81.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 110.473 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.546 ' O ' HG13 ' B' ' 432' ' ' VAL . 30.6 tpt180 -66.57 -32.9 74.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.678 HD13 HD21 ' B' ' 416' ' ' LEU . 12.4 mt -56.17 -53.05 61.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.581 ' HB3' ' CZ ' ' B' ' 434' ' ' ARG . 25.2 m95 -63.12 -45.53 91.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.622 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 39.9 tt0 -57.83 -54.77 43.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.76 -175.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.3 p -64.58 -34.25 68.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 0.0 110.796 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 33.2 tp60 -55.97 -47.79 77.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.581 ' CZ ' ' HB3' ' B' ' 430' ' ' TRP . 27.2 mtt180 -65.66 -28.46 69.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.491 . . . . 0.0 110.545 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' B' ' 432' ' ' VAL . 44.7 mt -75.76 -39.26 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.064 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.38 -45.94 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.343 175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.424 HG23 ' O ' ' B' ' 434' ' ' ARG . 5.4 t -70.56 -32.57 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 110.271 -178.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.71 -36.75 76.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.208 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.574 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.3 mm? -63.86 -35.93 82.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.017 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -57.49 -42.93 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.437 0.636 . . . . 0.0 109.746 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.54 89.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.466 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.566 ' HB3' HD11 ' B' ' 398' ' ' ILE . 32.5 mmmt -58.7 -35.75 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.489 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.608 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -64.01 -47.51 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 444' ' ' ARG . 36.4 mtm180 -82.23 -1.97 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.8 -42.09 20.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.012 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.233 -176.186 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.623 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -161.77 -69.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.37 . . . . 0.0 110.285 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER -154.74 15.1 0.43 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.915 -178.041 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m 67.07 92.62 0.08 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.672 0.748 . . . . 0.0 111.544 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 177' ' ' ARG . 97.3 mt -96.51 -10.31 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.413 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -93.93 7.52 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.5 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 13' ' ' ALA . 3.5 mm? -126.33 125.42 42.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.553 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.431 ' HD1' HD13 ' A' ' 176' ' ' ILE . 73.5 m-70 -135.5 125.31 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.758 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HG2' ' CZ3' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -112.32 114.82 27.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.162 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 96.0 t -115.44 129.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 110.922 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -111.65 125.48 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.349 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtt -97.85 117.27 31.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.844 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.49 176.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.266 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.9 -161.83 30.52 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.875 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 p -84.7 -9.59 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.386 0.612 . . . . 0.0 110.437 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.53 -49.32 0.9 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.262 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.32 -102.78 1.06 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.855 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t 70.16 -51.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.481 0.712 . . . . 0.0 112.033 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.498 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . 135.08 17.48 0.89 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.695 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HB3' ' HZ3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -60.36 -47.09 87.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.665 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.408 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 56.2 m -68.32 -25.15 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.0 111.13 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.8 -49.85 35.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.614 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.454 HG21 HG23 ' A' ' 66' ' ' ILE . 19.0 p -66.37 -35.97 81.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.685 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD22 ' HB ' ' A' ' 40' ' ' VAL . 23.0 tp -76.03 -31.52 58.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.671 HE22 ' HA ' ' A' ' 39' ' ' PHE . 84.4 mm-40 -69.15 -36.79 77.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.24 -2.25 21.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.297 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 39.7 tpp -106.11 -57.71 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -96.31 -105.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.483 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 177.79 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.028 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.13 165.53 12.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.671 ' HA ' HE22 ' A' ' 33' ' ' GLN . 60.3 t80 -76.52 142.3 40.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.898 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.625 ' HB ' HD22 ' A' ' 32' ' ' LEU . 6.2 p -75.43 133.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.529 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -126.35 -32.91 2.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.207 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -144.97 109.4 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.769 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -166.95 100.73 0.54 Allowed 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.585 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 31.4 mt-10 -91.18 -59.99 0.22 Allowed Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -172.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -74.93 110.3 3.09 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.488 2.125 . . . . 0.0 114.544 -166.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.696 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 42.3 p -145.82 7.13 1.07 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.576 170.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.57 -56.51 13.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.144 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.92 26.92 6.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.492 ' CG ' ' HZ2' ' B' ' 440' ' ' LYS . 18.4 t70 -135.73 101.03 4.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.689 -174.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.5 p -108.81 167.98 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.856 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.554 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.5 t80 -131.9 104.61 6.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.199 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -84.56 133.63 34.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.314 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' NZ ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -137.04 177.3 7.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -178.009 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.641 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 39.7 ttmt -106.53 127.84 53.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.707 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.86 146.72 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.286 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.66 103.76 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.783 0.802 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.99 97.72 9.98 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 36.82 81.27 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.789 1.305 . . . . 0.0 112.648 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.41 -99.66 0.2 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.744 -1.217 . . . . 0.0 113.908 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.6 pt-20 -123.45 163.92 19.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 0.0 111.079 -172.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.641 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 36.1 mt-10 -65.11 111.1 2.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.704 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 60' ' ' GLU . 62.0 t -109.09 145.35 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.82 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -114.84 134.9 54.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.241 0.543 . . . . 0.0 110.861 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD11 ' SD ' ' A' ' 173' ' ' MET . 17.6 tt -129.7 142.02 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.082 -173.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -129.53 138.41 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.715 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.454 HG23 HG21 ' A' ' 31' ' ' THR . 15.2 mm -127.45 127.19 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.415 0.15 . . . . 0.0 111.068 -173.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 115.28 27.65 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.696 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 26.2 t70 -92.82 83.69 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.2 p -80.02 157.05 26.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.711 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 151.33 22.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.8 62.03 0.81 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.078 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' O ' ' HD3' ' A' ' 79' ' ' ARG . 0.5 OUTLIER -149.12 151.5 34.5 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 122.193 0.197 . . . . 0.0 110.581 -178.212 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.35 -16.33 58.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' HD12 ' A' ' 72' ' ' LEU . 6.8 m-20 -49.39 -63.09 1.21 Allowed 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.301 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.459 ' H ' HD12 ' A' ' 72' ' ' LEU . 78.6 m-85 -94.3 74.81 3.94 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.122 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.01 -21.49 66.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.359 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.769 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.56 -6.66 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.574 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.3 mt -106.36 -37.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.092 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.504 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 1.8 mtm180 -92.34 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.547 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.37 -46.16 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.194 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.769 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.1 m-20 -77.22 -16.15 59.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.842 -175.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.86 6.35 48.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 176.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.489 ' CB ' HG22 ' A' ' 114' ' ' VAL . 6.5 m-85 -79.88 -159.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.634 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.459 ' H ' ' HB3' ' A' ' 83' ' ' PHE . 31.0 mmm180 69.38 -69.45 0.16 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.058 0.543 . . . . 0.0 111.8 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 -14.48 61.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 146.74 37.47 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.927 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -105.27 -71.83 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 110.292 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.802 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.68 145.67 17.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.712 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.2 128.69 47.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 111.071 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.543 HD23 ' HB3' ' A' ' 124' ' ' LEU . 80.7 mt -104.96 113.28 26.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.482 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.3 106.31 17.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.878 HG11 ' HB ' ' A' ' 126' ' ' VAL . 26.8 m -116.25 134.18 60.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 111.106 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -147.84 154.18 40.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.561 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.3 p -93.11 152.0 19.52 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.82 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.94 -4.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.915 0.388 . . . . 0.0 111.086 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 132' ' ' LEU . 0.8 OUTLIER -91.6 4.15 53.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.805 174.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.53 93.16 3.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.942 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -71.78 -29.3 64.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.23 -53.89 31.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 m -60.73 -27.33 67.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.424 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.16 -49.88 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 m -68.13 -28.3 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.286 0.565 . . . . 0.0 110.431 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.95 63.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.124 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 39.8 p -56.11 -37.06 68.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.252 0.549 . . . . 0.0 111.033 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.22 -35.78 74.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.388 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.61 -39.56 80.8 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.41 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.92 -50.26 73.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.43 ' HA ' HD12 ' A' ' 111' ' ' ILE . 14.0 ptm180 -63.83 -38.45 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.099 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -67.24 -37.28 83.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 110.651 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.87 -35.58 81.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 109.739 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 86.0 mt -66.42 -51.2 60.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.558 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.457 ' HA ' ' H ' ' A' ' 116' ' ' ALA . 8.6 mp -69.75 -20.95 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -61.55 -34.98 76.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 83' ' ' PHE . 19.9 m -104.24 -10.04 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.98 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.694 ' HB3' ' HG3' ' A' ' 118' ' ' GLU . 42.4 mttm -121.55 -87.73 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.027 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.457 ' H ' ' HA ' ' A' ' 112' ' ' LEU . . . 66.15 -74.47 0.06 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.485 0.714 . . . . 0.0 112.091 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.35 42.31 0.94 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.703 0.287 . . . . 0.0 111.423 -173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.694 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 5.2 mm-40 -102.2 -33.1 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.426 ' HB3' ' HD2' ' A' ' 120' ' ' LYS . 31.8 t70 75.23 -48.51 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.37 0.668 . . . . 0.0 111.762 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.721 ' HG3' ' HB3' ' A' ' 179' ' ' LYS . 2.5 mptp? -84.1 50.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 -173.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 115' ' ' LYS . 52.4 mt -114.92 90.15 21.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.802 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 2.6 Cg_endo -87.25 131.79 3.08 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.173 2.582 . . . . 0.0 111.72 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -117.62 122.87 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 0.0 110.649 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.703 HD13 ' HG2' ' A' ' 153' ' ' GLN . 11.2 tp -119.09 122.75 42.79 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.4 ' N ' HD11 ' A' ' 124' ' ' LEU . 20.6 t -88.57 126.86 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.511 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.878 ' HB ' HG11 ' A' ' 92' ' ' VAL . 42.5 t -127.44 129.78 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.157 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.07 138.6 13.95 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -136.13 179.54 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.335 0.567 . . . . 0.0 110.704 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HE2' ' C4 ' ' A' ' 500' ' ' GNP . 35.0 mmtp 62.98 63.83 0.91 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.423 0.689 . . . . 0.0 111.164 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -82.62 5.32 21.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.6 -30.22 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 112.045 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.642 HD13 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -83.37 -58.38 2.86 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.57 -176.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.593 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 40.3 tt0 67.55 -67.48 0.18 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.679 0.791 . . . . 0.0 111.683 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.77 -34.23 77.86 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -86.27 26.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.648 0.737 . . . . 0.0 110.794 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.82 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.4 ttm180 -66.0 113.68 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.099 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -78.15 -40.93 36.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.25 0.548 . . . . 0.0 110.854 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -108.75 124.73 33.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.962 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.3 Cg_exo -56.42 114.42 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.34 2.027 . . . . 0.0 110.762 175.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.549 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -69.79 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 110.235 -174.354 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.11 -48.05 83.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.0 pt-20 -77.56 -19.55 55.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.514 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.95 79.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.5 mtp180 -65.4 -35.0 79.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.825 173.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.3 t -63.2 -33.59 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -66.09 -35.71 81.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 0.0 111.232 176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.41 98.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.071 0.463 . . . . 0.0 109.78 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.98 -44.79 95.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.955 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -58.54 -41.39 85.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.397 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -91.4 -13.83 31.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.597 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.78 34.43 18.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.296 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.08 -168.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.592 0.234 . . . . 0.0 110.979 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.703 ' HG2' HD13 ' A' ' 124' ' ' LEU . 3.2 pm0 -112.53 157.27 21.34 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.53 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -124.25 125.55 44.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.57 128.58 72.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -86.08 134.77 33.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.561 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.0 p -126.37 134.92 50.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.262 0.553 . . . . 0.0 111.455 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.4 m -113.14 97.66 6.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.332 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.4 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -66.68 -45.35 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.419 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 26.2 p -88.2 -3.59 58.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 61.47 49.04 5.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -117.24 139.25 51.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.573 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 70.18 10.22 7.27 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.847 0.717 . . . . 0.0 111.922 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 33' ' ' GLN . 60.2 t -67.4 -47.59 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.42 -28.63 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.844 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.25 -52.55 64.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.896 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.63 -28.34 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.965 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.02 -56.59 4.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.425 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 22.3 m-85 -62.52 -41.12 98.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.509 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.03 -41.7 97.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.429 HD23 ' HG ' ' A' ' 90' ' ' LEU . 34.5 tp -65.83 -38.94 90.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.496 ' SD ' HD11 ' A' ' 64' ' ' ILE . 54.3 mtp -61.09 -31.24 70.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.707 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 1.5 mmt85 -68.82 -45.2 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.629 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 122' ' ' PRO . 13.6 mt-10 -58.14 -39.81 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.325 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.615 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 72.6 mt -56.38 -41.1 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.547 ' HG2' HD22 ' A' ' 12' ' ' LEU . 40.3 mtt180 -61.59 -45.03 95.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.627 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -39.47 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.509 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.721 ' HB3' ' HG3' ' A' ' 120' ' ' LYS . 14.5 mptt -69.88 -31.87 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.8 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 70.3 mmtt -66.36 -51.73 54.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.309 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.7 mtt -70.75 -37.49 73.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.321 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 t 70.44 167.07 0.3 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.079 -174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.03 96.74 5.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.433 0.635 . . . . 0.0 109.852 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -109.63 10.47 24.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.041 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.226 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.813 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 63.8 m -156.24 92.85 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.726 0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.29 -71.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 0.0 110.808 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.5 m -74.68 -34.46 62.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.16 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.813 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 41.8 mt-30 -57.58 -35.78 70.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.749 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.7 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.71 -43.98 98.18 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.708 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.552 ' O ' HG13 ' B' ' 402' ' ' ILE . 23.9 mm -56.36 -51.93 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.501 ' HB3' ' HZ3' ' B' ' 399' ' ' LYS . 8.7 mtpm? -62.1 -40.3 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -176.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 1.4 mm-40 -65.28 -30.58 71.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.552 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.2 mt -58.31 -50.35 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.56 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 25.0 mmt180 -63.03 -33.06 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 177.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.492 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 72.0 ttt180 -60.61 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.54 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.401 ' HB2' HD13 ' B' ' 436' ' ' LEU . 72.7 mm-40 -69.46 -36.27 76.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.56 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 47.7 mt-10 -59.69 -44.57 93.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.07 175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.6 -45.59 92.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.5 mt -58.31 -51.42 69.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' B' ' 413' ' ' HIS . 23.7 tp -58.97 -48.58 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.774 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -55.77 -39.57 71.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.722 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -58.79 -53.48 57.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.414 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 5.7 mp -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.519 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.578 ' HB2' ' O ' ' B' ' 409' ' ' LEU . 0.3 OUTLIER -57.79 -43.85 85.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.63 -39.95 50.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.03 -49.96 63.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.401 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 64.2 mt -62.84 -24.55 67.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.538 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.73 -17.16 54.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 111.386 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.13 -2.94 84.39 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.655 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.77 -18.78 34.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.141 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.6 mt -75.17 126.32 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -153.95 154.08 33.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.457 0.646 . . . . 0.0 110.336 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.675 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 20.8 t70 -148.01 162.91 38.4 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.96 0.409 . . . . 0.0 110.656 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.7 m -66.44 -32.15 73.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.675 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 43.1 mmtt -73.87 -49.42 25.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.229 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.98 -43.12 91.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.307 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.75 -34.88 79.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 431' ' ' GLU . 28.9 tpt180 -65.51 -47.35 76.26 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 8.5 mp -56.4 -49.66 73.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.476 ' CZ3' ' HG2' ' A' ' 16' ' ' LYS . 65.5 m95 -57.39 -32.08 66.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.875 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.545 ' O ' ' HB3' ' B' ' 434' ' ' ARG . 9.3 tp10 -68.97 -54.25 16.32 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.213 0.32 . . . . 0.0 110.898 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.584 ' HA ' HD12 ' B' ' 435' ' ' ILE . 3.6 t -65.8 -38.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 110.584 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -56.52 -49.61 74.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.393 1.092 . . . . 0.0 109.514 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.545 ' HB3' ' O ' ' B' ' 431' ' ' GLU . 6.1 ttt180 -56.65 -45.78 81.41 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.063 -1.88 . . . . 0.0 111.671 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' B' ' 432' ' ' VAL . 26.8 mt -65.18 -49.41 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' B' ' 405' ' ' GLN . 38.7 tp -58.43 -42.42 87.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.554 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.7 t -70.34 -42.36 71.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.8 0.333 . . . . 0.0 111.012 -175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.94 -35.37 80.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.388 0.614 . . . . 0.0 109.89 176.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.25 -32.8 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.069 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.492 ' HZ2' ' CG ' ' A' ' 49' ' ' ASP . 77.1 mttt -64.99 -36.65 85.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.971 0.415 . . . . 0.0 110.276 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.483 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 0.6 OUTLIER -66.86 -40.04 87.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -57.37 -35.41 69.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.164 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.52 ' HA ' HG23 ' B' ' 398' ' ' ILE . 2.6 tm? -63.26 -50.39 70.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.328 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -74.54 -12.38 60.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.734 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -79.8 -16.71 54.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 109.677 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.444 179.067 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.567 ' C4 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.631 ' O ' ' OD2' ' A' ' 68' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -141.88 -153.1 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.418 ' O ' HD21 ' A' ' 12' ' ' LEU . 7.2 m -60.0 171.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.423 0.289 . . . . 0.0 111.202 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . 54.2 m -54.46 128.79 33.42 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.045 0.45 . . . . 0.0 110.571 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER -85.24 43.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 -172.141 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 62' ' ' VAL . . . -93.96 14.08 20.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 33.0 tp -119.61 115.33 23.75 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -125.8 142.93 51.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.775 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 31.3 mmtp -119.23 116.6 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.12 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' HB ' HD12 ' A' ' 66' ' ' ILE . 57.3 t -123.49 113.02 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.0 110.426 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.688 HG12 HD13 ' A' ' 67' ' ' LEU . 56.5 mt -101.65 127.31 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.789 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 38.5 mtt -95.9 110.07 22.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.422 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -95.3 145.97 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.471 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 163.7 -170.67 39.12 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.528 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 4.1 p -84.6 -24.31 29.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.555 0.693 . . . . 0.0 110.172 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.46 -41.64 1.34 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.925 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -122.67 4.88 Favored Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 93' ' ' PHE . 60.9 t 68.31 -52.13 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.544 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.533 ' HA2' " O3'" ' A' ' 500' ' ' GNP . . . 158.65 32.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 20.4 ttpp -86.72 -63.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.271 . . . . 0.0 111.221 -172.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -64.75 -16.6 63.2 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB2' " H4'" ' A' ' 500' ' ' GNP . . . -70.58 -39.14 74.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.81 -37.32 76.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.567 HG21 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -61.62 -53.99 48.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.509 -176.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.06 -31.37 71.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.525 0.202 . . . . 0.0 111.199 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 63.3 mm-40 -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.576 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 67.8 t80 -73.66 -33.18 64.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.247 0.546 . . . . 0.0 110.374 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.4 mtp -75.92 -62.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.001 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -119.42 -2.65 10.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 37.2 t70 69.78 16.69 7.81 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.43 145.74 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.733 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.1 148.57 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.46 105.74 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.98 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.5 -40.49 9.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -160.47 101.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.264 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -155.75 114.69 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.736 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.4 tt0 -96.5 -59.62 0.17 Allowed Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 11.6 Cg_endo -52.45 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.158 2.572 . . . . 0.0 114.819 -166.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -153.96 65.14 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.368 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -86.33 -59.72 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 109.722 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.13 7.01 6.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.877 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.15 112.74 1.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.974 -171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 1.3 m -104.37 149.07 25.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.863 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.76 112.05 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.319 0.581 . . . . 0.0 111.071 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -75.53 107.09 7.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -100.92 130.03 46.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.034 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -86.9 112.54 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' CZ ' ' A' ' 34' ' ' PHE . 18.6 m -134.56 153.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.78 136.74 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.726 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -120.25 96.76 5.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 46.58 75.5 0.12 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.21 -132.13 2.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.497 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 pt-20 -95.63 157.53 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.262 0.225 . . . . 0.0 110.641 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.47 111.37 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLU . 92.1 t -106.41 141.36 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 -172.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -113.47 117.88 32.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.858 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.479 HD13 ' SD ' ' A' ' 173' ' ' MET . 6.5 tt -109.74 125.1 66.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.941 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -107.46 135.48 48.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG21 HG21 ' A' ' 31' ' ' THR . 42.5 mm -118.32 126.24 74.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.471 -172.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.688 HD13 HG12 ' A' ' 18' ' ' ILE . 33.7 mt -98.55 103.97 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.53 80.22 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.9 p -76.52 159.95 29.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.424 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 125.0 35.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.546 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -86.05 66.52 3.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.181 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -132.74 -178.31 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.596 0.236 . . . . 0.0 110.736 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -103.06 0.32 31.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' HB2' HD11 ' A' ' 72' ' ' LEU . 7.7 m-20 -74.6 -73.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.612 . . . . 0.0 111.306 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CB ' HD12 ' A' ' 78' ' ' ILE . 76.6 m-85 -79.82 71.19 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.022 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.56 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.41 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.689 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -65.0 -23.1 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.186 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 75' ' ' TYR . 63.0 mt -95.06 -15.85 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.416 0.627 . . . . 0.0 110.181 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -91.61 -63.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.989 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.66 -57.25 4.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.27 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.718 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 37.8 m-20 -71.03 -36.09 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.12 -169.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -31.64 70.29 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.502 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 9.1 m-30 -65.63 -27.26 68.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.518 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 2.1 tmm_? -60.61 -30.27 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.642 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 41.9 m -104.12 19.27 20.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.197 0.522 . . . . 0.0 111.175 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.24 -164.99 31.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.832 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.518 ' OE2' HG22 ' A' ' 176' ' ' ILE . 79.1 tt0 -155.96 -75.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.055 0.427 . . . . 0.0 110.899 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.557 ' HA3' HD23 ' A' ' 172' ' ' LEU . . . -89.81 151.16 21.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.523 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' HB2' ' HG ' ' A' ' 123' ' ' LEU . 88.5 m-85 -134.76 134.46 40.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.0 0.429 . . . . 0.0 111.484 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 mt -103.78 125.1 50.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.538 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -97.21 107.64 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.175 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.02 132.78 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.977 0.418 . . . . 0.0 110.849 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.621 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.1 p90 -153.51 165.19 36.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.917 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -116.39 138.81 51.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.643 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -76.09 3.62 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.86 0.362 . . . . 0.0 111.682 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.483 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.2 p -94.56 -10.6 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.113 0.482 . . . . 0.0 109.73 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.91 108.91 14.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.859 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -68.16 -24.16 64.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.88 -57.64 11.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.993 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 p -70.27 -24.16 63.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -64.32 -48.06 77.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.461 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 m -65.76 -31.02 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.159 0.504 . . . . 0.0 110.773 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.18 68.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.12 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.457 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 68.3 p -55.8 -39.48 71.36 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.792 0.33 . . . . 0.0 111.177 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.17 85.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.323 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.51 -43.16 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' O ' HG13 ' A' ' 111' ' ' ILE . 24.2 m-85 -57.44 -51.41 69.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.613 ' HA ' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -74.16 -33.73 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.72 -174.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.15 -37.53 75.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.941 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.0 -30.66 71.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.186 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 108' ' ' ARG . 85.3 mt -63.11 -50.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.126 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.44 -22.14 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -68.08 -46.21 71.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.964 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.696 HG21 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -87.44 -20.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.696 ' HG3' HG21 ' A' ' 114' ' ' VAL . 44.1 mtmt -127.82 -102.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.24 -42.77 0.47 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.775 0.83 . . . . 0.0 112.761 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 115' ' ' LYS . 43.5 mt-10 -79.21 34.6 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 55.0 mt-10 -97.98 -96.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.816 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -143.74 -72.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 72.9 mmtt -152.42 113.65 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.429 HG22 HG22 ' A' ' 111' ' ' ILE . 70.5 mt -89.91 108.0 22.91 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-O 120.9 0.381 . . . . 0.0 110.378 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 57.4 Cg_endo -91.13 129.49 1.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.335 2.69 . . . . 0.0 112.474 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' A' ' 89' ' ' PHE . 5.7 mp -124.99 164.86 19.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.674 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -150.16 120.28 7.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.237 175.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.459 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 6.9 t -88.6 124.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.228 0.537 . . . . 0.0 109.57 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.1 t -113.95 111.99 38.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.508 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.76 112.38 3.7 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.08 163.64 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.099 0.449 . . . . 0.0 109.837 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.658 ' HE2' ' N3 ' ' A' ' 500' ' ' GNP . 1.2 mptm? 64.17 75.11 0.39 Allowed 'General case' 0 C--O 1.224 -0.26 0 O-C-N 123.698 0.624 . . . . 0.0 112.053 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.4 m -96.03 -2.52 46.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.372 0.606 . . . . 0.0 109.389 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -78.94 -3.31 44.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.846 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.07 -45.11 9.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 58.52 -78.97 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.136 0.974 . . . . 0.0 112.96 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.35 -14.22 62.72 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.657 0.383 . . . . 0.0 111.941 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.473 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 92.4 mtt180 -93.72 11.82 27.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.122 -177.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.643 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 48.7 ttp180 -65.91 113.43 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -94.19 -33.19 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.278 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 3.4 p -101.93 125.81 35.72 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.226 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 50.5 Cg_exo -56.69 110.54 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.734 2.289 . . . . 0.0 111.946 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -67.98 -16.61 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.72 -52.75 63.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.491 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 7.7 pt-20 -74.85 -23.34 58.41 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.089 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.413 ' HA ' ' HG2' ' A' ' 146' ' ' LYS . . . -65.1 -33.51 76.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 110.266 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.2 mtp180 -70.46 -39.29 74.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.685 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 m -60.74 -31.17 70.5 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.641 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 69.9 mmtt -60.07 -47.39 86.07 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.44 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.997 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.29 -48.01 81.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.436 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.75 -42.24 95.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.63 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -76.66 -23.76 53.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.82 40.73 6.59 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.191 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 123' ' ' LEU . 14.1 m -134.79 -170.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.423 . . . . 0.0 110.932 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.674 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -111.19 158.73 18.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.554 176.477 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -126.03 120.18 29.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.82 127.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.745 0.307 . . . . 0.0 110.813 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.53 127.85 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 58.5 p -136.18 171.38 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 111.195 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.9 m -153.31 106.31 2.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.597 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.57 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.653 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.524 ' HB2' ' C2 ' ' A' ' 500' ' ' GNP . 23.4 tptm -62.11 -36.44 81.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.7 p -103.29 3.49 35.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 59.41 32.47 21.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.587 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.05 116.72 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.505 -175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.28 17.54 10.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.801 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.45 -38.15 80.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.234 0.54 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.73 -28.22 62.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.559 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 63.8 tttm -60.64 -54.08 49.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.519 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.87 -32.82 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -170.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -70.58 -52.88 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.896 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -68.71 -31.72 71.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 3.0 t70 -62.41 -51.66 66.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.69 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.609 HD21 HD12 ' A' ' 176' ' ' ILE . 7.3 tt -68.44 -34.63 76.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.305 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.524 ' HA ' HD11 ' A' ' 176' ' ' ILE . 53.9 mtm -63.28 -30.49 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.41 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.478 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 19.5 mmm180 -66.03 -44.35 84.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.83 -39.35 74.06 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.322 0.582 . . . . 0.0 111.164 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.609 HD12 HD21 ' A' ' 172' ' ' LEU . 98.6 mt -60.17 -26.18 35.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.696 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -71.16 -52.16 20.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 175.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.9 m -60.99 -38.72 86.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.382 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.476 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -54.74 -54.06 46.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.232 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HZ2' HG22 ' A' ' 176' ' ' ILE . 41.0 mttp -72.13 -28.61 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.948 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.69 -47.96 81.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.7 m 58.88 117.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 O-C-N 124.303 1.002 . . . . 0.0 111.937 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -78.79 122.59 26.23 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.584 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -117.52 7.15 12.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.801 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.5 pttm . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.533 -179.394 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.623 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 14.5 p -167.74 102.59 0.48 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -61.92 1.65 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 109.815 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.7 m -82.2 -34.34 28.99 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.958 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.623 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 95.7 mt-30 -62.01 -27.59 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 178.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -61.77 -50.88 70.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.475 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.05 88.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.921 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.547 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -64.18 -52.44 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -60.41 -41.77 94.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.665 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.2 mt-10 -62.34 -41.4 98.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.448 . . . . 0.0 110.55 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.428 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 17.3 tp10 -70.51 -34.16 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 398' ' ' ILE . 91.5 mt -58.2 -49.4 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.5 -36.5 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.1 ttm180 -65.77 -48.32 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.411 ' HB2' HD11 ' B' ' 436' ' ' LEU . 89.1 mm-40 -68.2 -34.86 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.562 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.78 -42.06 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.974 173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -67.37 -44.63 78.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.2 mt -57.48 -51.42 69.53 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.147 0.498 . . . . 0.0 110.274 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.444 ' N ' HG11 ' B' ' 432' ' ' VAL . 30.2 tp -65.54 -36.63 84.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.417 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -65.46 -39.81 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 33.8 t -59.78 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.87 -38.34 75.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.918 175.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.03 -48.47 79.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.212 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -75.35 -44.44 45.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.051 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.97 -48.64 79.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.559 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.718 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.3 mp -74.55 -26.42 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.667 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.15 -23.6 62.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.18 -3.17 81.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.112 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.35 22.54 14.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.504 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 65.0 mt -126.4 115.68 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.512 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 21.2 pttp -133.08 164.18 27.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.173 0.511 . . . . 0.0 110.475 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.654 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.4 t70 -147.25 164.0 34.58 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.57 -35.65 78.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.905 0.384 . . . . 0.0 110.651 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.6 m -63.92 -34.14 77.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.151 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.654 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.5 mmtt -70.63 -50.51 36.15 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.833 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.54 -47.17 85.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.236 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 90.2 mt-10 -64.16 -48.04 77.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.626 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.588 ' O ' HG22 ' B' ' 432' ' ' VAL . 17.9 mmt180 -61.94 -36.7 82.19 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.873 -0.149 . . . . 0.0 111.028 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' B' ' 429' ' ' LEU . 7.5 mt -55.93 -46.28 78.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.606 0.241 . . . . 0.0 111.297 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.723 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 11.6 m95 -65.17 -43.46 91.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.587 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.752 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 5.0 mm-40 -57.17 -50.46 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.132 0.27 . . . . 0.0 111.269 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.602 ' HA ' HD12 ' B' ' 435' ' ' ILE . 18.0 t -60.36 -43.44 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 CA-C-O 121.469 0.652 . . . . 0.0 110.1 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.485 ' NE2' ' HB ' ' B' ' 437' ' ' THR . 36.0 tp60 -56.86 -48.22 78.61 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.67 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.752 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 43.0 mtp180 -55.77 -42.61 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.008 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' B' ' 432' ' ' VAL . 25.7 mt -65.43 -52.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.672 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' B' ' 405' ' ' GLN . 28.5 tp -57.34 -43.26 83.26 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.485 ' HB ' ' NE2' ' B' ' 433' ' ' GLN . 14.5 t -72.29 -39.6 68.19 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.036 -0.415 . . . . 0.0 111.348 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.4 78.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' B' ' 402' ' ' ILE . 35.0 tp -67.96 -34.95 77.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.794 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.52 -41.92 86.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.497 0.665 . . . . 0.0 109.414 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -68.75 -40.85 79.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.104 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.607 ' HZ1' ' HG2' ' B' ' 445' ' ' GLU . 30.3 mmmt -58.34 -32.48 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.32 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.441 ' HA ' HG22 ' B' ' 398' ' ' ILE . 59.9 tp -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.164 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.613 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 0.2 OUTLIER -81.94 -4.84 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.194 177.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.607 ' HG2' ' HZ1' ' B' ' 442' ' ' LYS . 4.7 tp10 -86.03 -36.17 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.962 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.658 ' N3 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.413 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.642 ' HG2' ' HB2' ' A' ' 12' ' ' LEU . 8.1 tt0 -134.25 23.56 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.597 0.713 . . . . 0.0 109.384 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -58.92 -47.19 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -77.68 0.92 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.562 0.696 . . . . 0.0 111.006 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.642 ' HB2' ' HG2' ' A' ' 9' ' ' GLN . 63.1 mt -111.59 5.63 19.51 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.883 178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -92.99 7.51 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 110.261 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -134.25 124.4 25.85 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.828 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -124.22 137.65 54.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.915 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.639 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 1.3 tppt? -114.52 107.17 15.17 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.587 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.12 130.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.333 0.587 . . . . 0.0 111.113 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.2 mt -117.08 113.3 42.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.5 ttm -93.07 118.28 31.02 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -105.89 170.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.442 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.8 169.55 42.69 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 t -74.15 -25.83 59.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.021 0.41 . . . . 0.0 110.217 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.77 -63.07 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -149.05 -63.61 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.307 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t 70.55 -59.58 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.644 0.778 . . . . 0.0 111.03 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.598 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . 157.69 32.65 0.02 OUTLIER Glycine 0 C--N 1.315 -0.604 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.435 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.569 ' HG2' HG23 ' A' ' 92' ' ' VAL . 34.5 mtmt -62.55 -47.34 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 0.0 111.398 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -63.12 -18.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.834 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.33 -51.98 21.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.928 0.394 . . . . 0.0 110.534 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.34 -36.21 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.446 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' ' 35' ' ' MET . 68.4 p -72.3 -40.36 67.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.938 -177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.945 HD22 ' HB ' ' A' ' 40' ' ' VAL . 32.5 tp -65.03 -36.15 83.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.829 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.7 mm100 -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.101 0.476 . . . . 0.0 109.774 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -69.55 -23.97 63.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.782 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 31' ' ' THR . 66.8 mtp -82.33 -57.33 3.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.181 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 73.5 m-85 -112.32 -4.25 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 30.6 t70 74.16 -16.05 0.55 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.813 0.445 . . . . 0.0 112.197 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.32 156.41 16.45 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.082 -0.386 . . . . 0.0 110.388 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -78.82 135.9 37.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.096 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.945 ' HB ' HD22 ' A' ' 32' ' ' LEU . 4.2 p -73.12 127.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.098 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -100.7 -42.97 6.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.89 126.86 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.327 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -175.59 116.05 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.822 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 mm-40 -120.8 -48.23 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.822 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 9.1 Cg_endo -49.61 97.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.766 2.311 . . . . 0.0 113.414 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.572 ' HA ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -149.5 47.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.324 176.147 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' O ' HG23 ' A' ' 78' ' ' ILE . 56.8 mtpt -79.51 -56.44 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.19 24.46 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.71 0.767 . . . . 0.0 109.218 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.6 t0 -96.15 116.69 29.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.603 -175.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -125.2 159.45 31.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.537 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.631 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.6 m-85 -132.69 144.55 50.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.594 0.712 . . . . 0.0 112.68 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -103.26 109.82 21.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.088 -1.414 . . . . 0.0 109.808 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -106.01 139.6 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.963 0.411 . . . . 0.0 110.934 -176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 37.6 ttmt -111.14 126.74 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.9 m -138.81 162.87 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -133.93 126.31 50.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.407 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -112.72 98.22 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.481 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 45.29 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.45 1.094 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.33 -107.87 0.47 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.858 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' HG21 ' A' ' 56' ' ' VAL . 12.3 pt-20 -119.73 157.18 29.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 86.9 mt-10 -59.88 125.86 25.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.335 0.588 . . . . 0.0 111.265 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 13' ' ' ALA . 6.6 t -108.41 148.07 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.637 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -113.96 148.11 37.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 111.251 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -148.57 123.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.088 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.639 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 37.1 m-20 -95.58 131.08 42.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.05 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.56 116.73 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.91 125.31 48.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -104.7 104.46 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 p -78.43 138.43 38.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 111.54 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.44 63.41 4.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.366 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -124.96 2.68 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.602 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 76.2 -45.7 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.775 0.83 . . . . 0.0 112.133 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' HB2' HD13 ' A' ' 72' ' ' LEU . 1.5 m-20 -46.68 -65.93 0.48 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.445 ' HB3' HD12 ' A' ' 78' ' ' ILE . 96.5 m-85 -78.78 59.56 2.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.209 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.7 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.776 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.627 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.91 -24.7 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.193 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.544 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 51.6 mt -97.79 -28.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -92.99 -65.85 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.53 -49.37 33.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.939 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.627 HD21 ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -74.34 -18.3 60.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.171 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -86.86 -21.42 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 122.372 -0.205 . . . . 0.0 111.324 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.8 m-30 -58.57 -20.53 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.744 0.307 . . . . 0.0 111.625 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -56.71 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.677 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.5 m -84.59 26.34 0.81 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.0 138.85 14.11 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.18 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -81.22 -74.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.714 0.293 . . . . 0.0 111.246 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -102.48 151.24 18.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.816 -173.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -126.76 129.94 49.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.944 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -106.02 125.51 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD12 HD21 ' A' ' 123' ' ' LEU . 59.1 mt -100.84 108.14 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.962 HG13 ' HB ' ' A' ' 126' ' ' VAL . 34.9 m -119.47 137.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.058 0.456 . . . . 0.0 110.85 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -151.91 169.61 21.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.554 ' HG ' ' HB2' ' A' ' 129' ' ' LYS . 23.0 t -110.44 144.69 38.85 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.79 -10.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.893 HG22 HD11 ' A' ' 132' ' ' LEU . 20.5 p -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -81.61 87.08 6.29 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.212 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.38 -24.58 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.189 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.67 -28.94 67.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.039 0.447 . . . . 0.0 110.638 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.5 m -69.11 -23.14 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.976 0.417 . . . . 0.0 110.347 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -76.94 -31.81 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -62.84 -39.4 94.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.258 0.551 . . . . 0.0 110.747 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.6 60.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.616 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.472 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 48.1 p -55.95 -42.08 75.66 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.555 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.88 68.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.71 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.62 -29.65 66.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.475 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.4 m-85 -60.67 -38.66 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.557 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -58.93 -58.77 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.681 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.68 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 4.8 pt-20 -61.83 -33.4 74.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.201 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.52 -41.33 98.49 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.98 0.419 . . . . 0.0 110.386 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 107' ' ' PHE . 79.5 mt -68.18 -42.05 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.241 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -68.25 -16.48 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 86.2 mtt180 -69.36 -31.23 69.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.981 0.419 . . . . 0.0 110.446 175.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.527 HG21 ' CB ' ' A' ' 83' ' ' PHE . 18.9 m -102.95 -27.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.045 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 26.4 mtmm -143.46 104.33 4.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.495 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.36 -36.25 3.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.285 0.565 . . . . 0.0 109.539 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.97 64.5 2.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.473 ' HG2' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -107.53 -167.3 1.24 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.819 -171.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.547 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 18.5 m-20 -82.96 -87.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.636 ' HB3' ' HG3' ' A' ' 179' ' ' LYS . 2.9 mptp? -144.44 94.02 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.242 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 118' ' ' GLU . 71.7 mt -66.28 112.33 8.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 0.0 110.982 175.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.742 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.1 Cg_endo -95.29 121.09 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.812 3.008 . . . . 0.0 112.19 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 HD21 HD12 ' A' ' 91' ' ' LEU . 4.8 mp -110.95 151.79 27.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.556 ' CD1' ' HG3' ' A' ' 153' ' ' GLN . 3.2 tp -150.24 121.97 8.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.547 ' N ' HD13 ' A' ' 124' ' ' LEU . 21.8 t -92.77 118.85 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.962 ' HB ' HG13 ' A' ' 92' ' ' VAL . 39.5 t -114.57 125.45 71.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.689 -176.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.41 110.49 3.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.542 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -107.0 150.59 26.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.554 ' HB2' ' HG ' ' A' ' 94' ' ' SER . 30.9 mmtp 57.74 81.15 0.15 Allowed 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.621 0.575 . . . . 0.0 109.582 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.2 p -118.73 9.17 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.446 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.65 8.28 10.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.489 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.893 HD11 HG22 ' A' ' 96' ' ' THR . 0.2 OUTLIER -124.1 54.65 1.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.762 -178.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.8 -31.52 71.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.344 -174.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.44 -17.48 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.705 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -95.96 2.35 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.314 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 136' ' ' ARG . 39.2 ttm180 -59.54 114.29 2.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.854 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -98.3 -18.44 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.653 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.93 109.78 60.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.301 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.67 119.96 7.42 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.06 1.84 . . . . 0.0 110.265 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.471 HG12 ' HE2' ' A' ' 154' ' ' TYR . 10.0 t -57.0 -24.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.978 0.418 . . . . 0.0 110.466 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.27 -54.81 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.405 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.16 -23.79 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.527 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.33 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.2 0.524 . . . . 0.0 110.018 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 53.3 mtp180 -69.01 -36.67 78.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.187 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -58.16 -45.19 87.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.523 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.1 mmtt -61.77 -41.58 97.88 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.089 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.13 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.26 -40.78 90.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.581 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.94 -36.25 80.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -87.73 -12.22 45.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.16 35.43 27.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.95 -177.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.907 0.384 . . . . 0.0 111.719 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.556 ' HG3' ' CD1' ' A' ' 124' ' ' LEU . 7.0 pt20 -104.51 141.47 36.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.994 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.4 t80 -122.27 113.95 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.149 0.499 . . . . 0.0 110.1 171.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.82 142.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.441 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.7 139.68 31.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.051 0.453 . . . . 0.0 110.59 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.505 HG23 ' HB2' ' A' ' 164' ' ' ASN . 67.3 p -131.06 164.42 25.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.6 -177.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.1 t -145.5 134.19 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.202 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.72 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.433 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.31 -56.99 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.907 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 35.0 p -92.93 -7.83 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 55.4 74.29 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.711 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -123.57 122.48 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.613 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.505 ' HB2' HG23 ' A' ' 157' ' ' THR . 47.2 m-80 66.97 16.32 10.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.894 0.746 . . . . 0.0 111.96 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.5 -56.33 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.673 0.273 . . . . 0.0 111.026 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.62 -35.5 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.356 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.42 -58.99 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.796 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.49 -26.86 31.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.6 -56.1 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.499 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.7 m-85 -66.23 -33.03 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.463 -175.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -57.26 -51.35 69.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.92 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 122' ' ' PRO . 37.3 tp -68.39 -39.53 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.046 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.35 -31.51 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.621 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.2 OUTLIER -74.0 -39.76 63.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.888 -0.142 . . . . 0.0 110.934 176.173 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.63 -31.75 72.64 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -56.21 -30.3 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.824 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.94 -51.57 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.179 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.16 -36.56 79.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.885 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.636 ' HG3' ' HB3' ' A' ' 120' ' ' LYS . 14.1 mptt -58.83 -52.93 63.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.276 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.07 -35.63 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.41 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 46.1 mtt -66.39 -35.54 80.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 m 62.91 16.28 9.03 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.346 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -97.15 70.87 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.56 0.695 . . . . 0.0 110.091 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.1 t30 179.7 53.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.248 0.982 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.056 -170.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.869 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 6.1 p -118.98 83.19 1.98 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.055 0.455 . . . . 0.0 110.535 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.454 ' C ' ' H ' ' B' ' 395' ' ' GLN . 37.7 mt-10 -62.95 117.91 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.167 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.515 ' O ' HG12 ' B' ' 398' ' ' ILE . 37.9 m 72.29 -40.05 0.46 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.495 0.497 . . . . 0.0 111.316 -176.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.869 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 82.5 mt-30 -58.56 -29.58 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.45 34.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.417 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.79 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.012 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.515 HG12 ' O ' ' B' ' 394' ' ' THR . 47.7 mm -59.28 -51.31 74.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.591 0.234 . . . . 0.0 110.51 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.519 ' HA ' HD12 ' B' ' 402' ' ' ILE . 93.3 mttt -59.48 -40.8 88.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.381 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -64.37 -36.38 83.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 0.0 110.628 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 5.7 mm-40 -74.48 -37.2 63.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.653 HG12 ' HB3' ' B' ' 439' ' ' LEU . 99.5 mt -53.25 -53.01 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 172.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -65.66 -32.38 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -60.84 -52.97 62.82 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.8 mm-40 -65.62 -33.66 76.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.781 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.3 mt-10 -59.52 -44.53 93.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.22 -53.45 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.28 -48.66 73.71 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.665 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.53 HD11 HG13 ' B' ' 432' ' ' VAL . 21.9 tp -65.74 -47.55 74.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.433 0.635 . . . . 0.0 110.358 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.68 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 53.8 t30 -56.32 -50.06 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.334 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.1 m -59.81 -49.55 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.13 -51.0 71.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.723 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.68 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 9.4 p80 -68.4 -31.19 70.36 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.552 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.4 mtt180 -68.98 -47.09 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.681 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -52.23 66.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -178.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 429' ' ' LEU . 10.4 mp -62.24 -26.57 68.45 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.05 -19.62 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.287 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.61 86.88 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.19 1.08 51.13 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.23 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.2 mt -99.81 115.81 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -133.9 153.33 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 110.492 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.621 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.1 t70 -148.98 163.01 38.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.162 0.506 . . . . 0.0 110.475 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -63.52 -31.61 72.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.621 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.2 mmtt -69.41 -51.1 39.67 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.543 -176.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.83 -51.43 64.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG11 ' B' ' 432' ' ' VAL . 33.6 mmt180 -61.08 -44.74 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.127 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.553 HD11 HD22 ' B' ' 416' ' ' LEU . 16.2 mt -55.57 -53.3 58.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.544 0.528 . . . . 0.0 111.818 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.677 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -66.79 -36.88 83.44 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.416 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.459 ' O ' HG13 ' B' ' 435' ' ' ILE . 28.7 mm-40 -66.36 -55.44 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.673 HG11 ' O ' ' B' ' 428' ' ' ARG . 7.5 p -62.66 -33.03 57.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.082 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -55.73 -55.63 29.96 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.365 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.47 -25.06 63.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.821 -177.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.5 mt -72.79 -42.61 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.82 -44.24 90.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.631 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 14.7 t -72.1 -31.46 66.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.983 0.421 . . . . 0.0 110.436 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.12 -36.88 84.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.653 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.59 -45.31 92.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.858 175.645 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -57.73 -40.89 80.7 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.321 0.581 . . . . 0.0 110.429 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.14 -46.15 88.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.919 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.2 mmmt -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.55 -38.98 88.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.359 . . . . 0.0 110.319 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.519 0.676 . . . . 0.0 109.477 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.472 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 1.2 tp10 -75.93 -35.6 59.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.276 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.842 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.723 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -111.54 141.5 45.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.211 0.529 . . . . 0.0 111.176 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 t -164.2 -40.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.38 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -97.74 28.53 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.842 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -126.98 23.87 6.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.151 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -105.19 11.04 33.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.695 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -141.08 108.06 5.43 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -114.94 143.72 44.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.66 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.96 116.08 31.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.192 178.197 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG22 HD11 ' A' ' 64' ' ' ILE . 92.8 t -121.11 123.32 69.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.897 0.38 . . . . 0.0 110.737 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.39 130.47 64.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmt -90.18 122.92 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.288 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.47 142.25 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.254 0.55 . . . . 0.0 110.923 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.8 161.23 24.74 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -66.96 107.9 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.853 0.327 . . . . 0.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 67.15 -88.02 0.15 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.137 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.6 47.99 0.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.73 60.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 112.029 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.624 ' HA2' ' H8 ' ' A' ' 500' ' ' GNP . . . 95.6 34.9 5.84 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.167 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.882 ' HB3' HG21 ' A' ' 92' ' ' VAL . 20.9 pttp -120.0 2.38 10.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.728 0.764 . . . . 0.0 112.12 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -104.69 -26.57 12.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.519 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.71 -49.77 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.713 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.74 -35.11 80.0 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.675 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 p -67.39 -44.13 79.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.199 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.1 -37.11 79.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.106 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.778 HE22 ' HB1' ' A' ' 159' ' ' ALA . 78.6 mt-30 -71.12 -28.91 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.274 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.63 -39.61 67.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.678 0.275 . . . . 0.0 111.356 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.702 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mpp? -90.72 -48.36 7.1 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -98.58 -24.73 14.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 64.35 63.67 0.75 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.552 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.26 149.75 17.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.845 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.96 136.74 38.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.74 118.04 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.873 0.844 . . . . 0.0 111.472 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -123.02 -37.08 2.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.015 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -134.77 85.37 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.757 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -173.97 104.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.89 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.58 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.6 mm-40 -100.83 -59.64 0.11 Allowed Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.91 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.58 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 94.1 Cg_exo -17.92 -99.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 125.262 3.975 . . . . 0.0 115.706 -166.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.532 ' HG1' ' C ' ' A' ' 45' ' ' PRO . 1.9 p 44.13 28.36 0.26 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -86.98 -57.51 2.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.601 0.715 . . . . 0.0 109.353 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.63 8.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.294 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.529 ' CG ' ' HZ3' ' B' ' 440' ' ' LYS . 15.6 t70 -96.85 104.93 16.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.809 -171.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -115.28 176.32 5.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.55 159.12 44.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HG2' ' OD1' ' A' ' 65' ' ' ASP . 31.7 mtp180 -107.1 137.96 44.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.406 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.702 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.2 tptt -128.81 134.46 48.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.733 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.705 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 23.4 ttmm -118.17 130.75 56.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 110.239 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.09 149.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.875 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.3 p -119.86 129.99 74.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.296 0.57 . . . . 0.0 110.754 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD12 ' CD1' ' A' ' 170' ' ' PHE . 95.2 mt -118.96 99.4 6.71 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.415 175.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 75.61 -37.21 0.32 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.02 0.825 . . . . 0.0 112.473 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.87 -102.16 1.62 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.795 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 62' ' ' VAL . 21.3 pt-20 -97.49 153.57 18.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.03 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.705 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 42.1 mt-10 -67.53 109.1 3.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.545 . . . . 0.0 109.902 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 13' ' ' ALA . 89.8 t -105.97 137.49 35.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.031 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -113.41 139.57 48.79 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.518 0.675 . . . . 0.0 111.25 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 17' ' ' VAL . 6.9 tt -123.05 121.48 63.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.796 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.604 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 13.0 m-20 -93.94 130.26 40.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.43 116.26 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.635 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.01 108.52 18.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.89 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -93.91 125.49 38.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -86.57 145.83 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.47 101.51 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.837 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -78.1 68.81 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.575 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -141.48 173.04 11.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.29 5.99 49.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.6 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' HB2' HD12 ' A' ' 72' ' ' LEU . 4.1 m-20 -87.37 -82.58 0.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.886 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.7 68.38 6.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.216 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.82 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.807 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.507 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.76 -10.43 56.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.408 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.6 mt -98.3 -23.5 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.501 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -92.27 -66.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.071 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.1 -45.24 42.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.51 -171.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 92.0 m-20 -72.92 -17.47 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.82 -174.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -82.28 -15.17 53.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB2' HG21 ' A' ' 114' ' ' VAL . 20.7 m-85 -69.39 -16.69 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -50.9 -58.06 6.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -171.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -105.91 27.06 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.031 0.444 . . . . 0.0 111.45 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.31 123.14 7.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.549 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 30.4 mt-10 -77.47 -72.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.908 0.354 . . . . 0.0 110.237 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.488 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -95.1 138.29 13.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.803 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' HG22 ' A' ' 121' ' ' ILE . 53.9 m-85 -121.88 126.46 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -104.48 111.98 24.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.651 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.2 mp -88.4 107.83 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.731 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.882 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.1 m -106.58 139.65 27.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -154.68 158.31 39.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.564 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.807 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -96.43 147.98 23.26 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.12 10.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.855 -176.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.9 p -114.54 -17.25 11.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.015 0.436 . . . . 0.0 110.984 175.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.807 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 31.9 mm-40 -95.09 104.46 16.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.715 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -71.64 -35.48 70.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.38 -48.15 81.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.954 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 m -60.93 -35.51 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.67 -42.57 98.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.4 m -73.26 -32.87 64.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.406 . . . . 0.0 110.82 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.05 66.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.032 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.403 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.1 p -55.97 -38.95 71.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.018 0.437 . . . . 0.0 110.474 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.48 87.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.243 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -56.52 -46.31 80.63 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.535 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.2 m-85 -57.8 -51.8 68.1 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -59.83 -43.77 94.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.098 -178.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.49 -43.29 90.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.893 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.76 -31.71 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 0.0 110.764 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.7 mt -59.62 -46.35 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 172.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.709 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -75.41 -3.16 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.871 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -79.25 -36.46 39.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.439 . . . . 0.0 109.825 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.611 HG21 ' HB2' ' A' ' 83' ' ' PHE . 31.0 m -99.07 -34.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.709 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 54.9 mtpt -124.29 93.48 3.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.854 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 9.56 23.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' A' ' 119' ' ' ASP . 72.2 mm-40 -115.49 92.76 4.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.474 ' HA ' ' HB ' ' A' ' 121' ' ' ILE . 52.6 mt-10 -67.1 14.21 0.05 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.129 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 117' ' ' GLU . 8.9 t70 -60.66 -36.16 78.01 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.232 0.613 . . . . 0.0 111.192 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.974 ' HE3' ' HA ' ' A' ' 180' ' ' LYS . 46.9 mmtm -124.08 39.38 3.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.485 HG22 ' CE2' ' A' ' 89' ' ' PHE . 51.4 mt -128.98 87.84 53.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.278 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.488 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 9.9 Cg_endo -91.3 127.3 1.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.345 2.697 . . . . 0.0 111.327 171.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.51 ' HB2' HG11 ' A' ' 152' ' ' VAL . 5.1 mp -115.16 135.96 53.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 110.855 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.677 HD11 ' HG2' ' A' ' 153' ' ' GLN . 8.7 tp -128.05 117.6 21.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.172 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 117.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.596 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.693 ' HB ' HG11 ' A' ' 92' ' ' VAL . 47.0 t -105.97 109.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.706 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -86.3 97.22 2.2 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.14 175.74 5.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 131' ' ' ASP . 22.0 tptm 62.46 25.76 15.35 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.725 0.64 . . . . 0.0 109.932 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -72.44 29.42 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.941 0.877 . . . . 0.0 110.964 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.3 t70 -91.24 -11.13 39.1 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.447 ' HB2' HD11 ' A' ' 95' ' ' ILE . 26.2 mt -96.22 41.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.201 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.31 -21.28 61.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.622 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.781 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 4.4 pt-20 -90.58 -16.13 29.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.653 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.781 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 85.9 mtt180 -121.89 13.88 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 -173.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.15 114.07 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.906 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -93.4 -28.92 15.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.615 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.422 HG12 ' C ' ' A' ' 95' ' ' ILE . 10.6 p -111.5 122.22 38.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.107 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.601 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 40.6 Cg_exo -58.64 124.87 16.74 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.068 2.512 . . . . 0.0 112.599 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.417 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.83 -25.03 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.59 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -64.69 -42.45 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.601 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.3 pt-20 -81.52 -18.03 46.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.568 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.51 68.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.6 mtp180 -62.02 -42.16 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.155 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -57.19 -33.5 67.55 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.219 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.05 -46.01 83.02 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.672 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.89 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.593 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.26 -41.43 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.135 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -68.16 -42.1 80.55 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.56 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -78.02 -22.08 49.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.196 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.19 35.55 14.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.42 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' A' ' 123' ' ' LEU . 27.1 m -123.32 -179.12 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.677 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.2 pm0 -108.07 149.31 28.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.161 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -118.07 121.02 39.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.835 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -125.72 130.3 72.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.9 140.18 30.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.009 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.4 p -126.91 149.71 49.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.146 0.498 . . . . 0.0 110.646 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -133.56 107.78 8.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.959 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.778 ' HB1' HE22 ' A' ' 33' ' ' GLN . . . -78.53 -6.2 54.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.528 178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -65.52 -43.91 88.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 110.325 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -121.01 9.44 10.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.334 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 57.51 59.25 3.37 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 121.414 0.626 . . . . 0.0 111.2 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -109.33 125.4 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.404 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 65.52 17.79 11.05 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.662 0.785 . . . . 0.0 112.041 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 62.1 t -67.08 -51.43 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.577 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.9 -38.16 82.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.66 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.309 -172.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.3 m -57.65 -34.6 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.38 -46.47 32.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' A' ' 57' ' ' LEU . 42.2 m-85 -67.0 -46.25 75.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.505 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.25 -41.13 92.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.7 tp -62.59 -43.85 97.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.381 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.6 -30.69 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.527 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -63.25 -48.8 76.67 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.814 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.71 -36.34 76.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.291 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.7 mt -58.84 -39.24 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -62.52 -51.72 66.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.899 0.38 . . . . 0.0 110.007 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -59.53 -43.04 93.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.223 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.0 -37.38 85.78 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.974 ' HA ' ' HE3' ' A' ' 120' ' ' LYS . 46.6 mtpt -74.41 -44.61 51.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 59.4 mtm -73.51 -23.65 60.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.594 0.235 . . . . 0.0 110.997 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 27.4 t 67.75 12.18 8.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.519 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.59 92.08 8.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.338 0.589 . . . . 0.0 110.15 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -91.65 -11.72 36.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.675 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -178.388 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 33.1 p 46.89 -84.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.44 1.096 . . . . 0.0 113.54 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 64.83 -83.67 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 123.23 0.612 . . . . 0.0 110.996 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.555 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.6 m -66.61 -36.99 83.93 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.191 0.52 . . . . 0.0 109.702 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 79.0 mt-30 -61.79 -28.16 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -58.95 -51.97 67.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.364 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.27 94.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.833 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 394' ' ' THR . 50.6 mm -57.77 -49.88 79.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.692 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.15 -40.19 84.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.2 mt-10 -62.28 -44.04 97.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.604 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.639 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 33.8 mt-10 -69.92 -36.18 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.443 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.544 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.4 mt -54.48 -52.91 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 173.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.504 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 22.4 mmm180 -61.45 -35.1 76.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.65 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -62.53 -44.2 96.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.5 mm-40 -74.35 -32.77 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -177.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.504 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 47.0 mt-10 -59.3 -44.13 92.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.135 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.66 -49.45 75.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.097 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.59 ' HB2' HG21 ' B' ' 432' ' ' VAL . 89.0 mt -57.37 -47.61 81.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.042 0.449 . . . . 0.0 110.76 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.86 -48.29 77.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.998 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.1 t30 -60.27 -35.27 75.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.177 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' SER . . . . . 0.427 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 8.7 t -62.88 -55.22 28.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.451 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.92 -35.37 68.96 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.045 0.45 . . . . 0.0 110.598 175.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 22.0 m170 -61.26 -33.15 73.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.148 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.1 mtm180 -78.05 -52.85 8.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 0.0 111.087 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.46 -51.6 69.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.033 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.685 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.2 mp -69.36 -26.58 64.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 111.312 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.64 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.3 tt0 -63.41 -23.45 67.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.823 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.53 -5.63 78.61 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.385 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.15 -1.73 31.35 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.152 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.4 mt -105.65 115.84 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.707 -0.29 . . . . 0.0 110.586 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 155.83 47.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.084 0.468 . . . . 0.0 110.538 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.526 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.5 t70 -148.31 168.23 23.1 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.76 -39.64 92.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 20.2 m -62.91 -32.65 73.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.708 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.685 ' HB3' HD11 ' B' ' 416' ' ' LEU . 30.9 mmtt -73.0 -52.43 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.84 -45.19 90.62 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -72.79 -34.21 66.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.447 ' HB2' ' O ' ' B' ' 424' ' ' SER . 17.6 tpt180 -66.45 -35.01 79.23 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.441 HD12 HD23 ' B' ' 416' ' ' LEU . 9.4 mt -56.14 -53.94 51.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.776 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.462 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 65.3 m95 -64.71 -30.9 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.603 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 43.8 mt-10 -64.47 -56.63 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.171 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' B' ' 408' ' ' LEU . 4.0 p -63.61 -33.82 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.285 0.564 . . . . 0.0 110.407 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -55.42 -53.74 52.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.486 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.603 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 0.6 OUTLIER -67.57 -26.69 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.714 -177.658 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' B' ' 432' ' ' VAL . 64.2 mt -72.65 -41.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.473 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.407 HD11 HG21 ' B' ' 402' ' ' ILE . 51.0 tp -59.23 -45.64 90.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 178.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -73.26 -25.36 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.884 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.54 79.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.544 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.75 -40.23 87.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.549 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.529 ' HZ3' ' CG ' ' A' ' 49' ' ' ASP . 92.8 mttt -56.74 -44.14 81.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.173 0.511 . . . . 0.0 110.405 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.6 -44.92 92.6 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.772 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HB3' HD13 ' B' ' 398' ' ' ILE . 14.5 mmmm -61.06 -36.27 79.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.788 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.438 ' CA ' HG23 ' B' ' 398' ' ' ILE . 56.5 tp -63.25 -47.35 82.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.673 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -81.97 -5.69 58.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -84.48 -37.54 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.299 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.671 -178.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.624 ' H8 ' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.869 ' HB3' HD23 ' A' ' 12' ' ' LEU . 9.7 tt0 -169.38 -68.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -169.14 -86.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -92.44 50.05 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 0.0 111.92 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.869 HD23 ' HB3' ' A' ' 9' ' ' GLN . 1.1 pt? -149.15 22.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.235 0.54 . . . . 0.0 110.692 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.4 4.0 50.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.769 0.795 . . . . 0.0 109.783 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.31 136.16 49.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.851 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.408 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 86.9 m-70 -135.35 144.97 46.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -138.86 107.46 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.19 128.21 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.246 -173.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 HG23 ' HE1' ' A' ' 83' ' ' PHE . 53.5 mt -110.1 120.34 60.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.565 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.684 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 53.4 ttm -102.23 121.28 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -99.83 169.93 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.76 -178.97 46.36 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -93.89 13.83 21.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.184 0.516 . . . . 0.0 110.974 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.92 -63.63 0.31 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.485 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.16 -114.5 1.37 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.5 t 69.86 -49.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 123.383 0.673 . . . . 0.0 111.07 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 117.23 35.5 1.1 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.7 pttp -81.85 -1.17 46.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.887 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -92.04 -8.95 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.154 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' HO3' ' A' ' 500' ' ' GNP . . . -71.8 -55.86 6.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.29 -35.61 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.822 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -66.71 -47.13 73.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.312 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 HD11 HG12 ' A' ' 40' ' ' VAL . 9.8 tt -65.47 -41.03 93.8 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 50.1 mt-30 -62.4 -33.24 74.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -73.43 -40.92 63.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.401 ' HE3' ' HB3' ' A' ' 35' ' ' MET . 70.5 mtp -72.66 -50.03 27.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -173.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 1.22 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.655 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 63.12 19.75 11.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 14.3 pt-20 -135.78 172.93 12.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 110.461 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -76.38 150.46 36.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 109.958 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.558 HG12 HD11 ' A' ' 32' ' ' LEU . 56.9 t -73.01 107.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.719 -175.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -74.54 -50.57 17.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.391 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -160.27 145.77 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.7 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -173.16 110.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.12 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.798 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.3 mt-10 -102.04 -63.43 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.798 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 24.3 Cg_exo -61.42 113.47 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.286 1.991 . . . . 0.0 113.228 -170.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.697 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -158.04 47.61 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.594 175.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' HE3' HD23 ' A' ' 72' ' ' LEU . 13.7 mmmm -87.21 -56.94 3.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.362 0.601 . . . . 0.0 109.666 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.22 18.05 8.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.374 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.697 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.0 m-20 -84.72 88.97 7.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.233 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -96.1 142.09 28.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 28.7 m-85 -134.57 169.81 16.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.115 0.483 . . . . 0.0 111.868 -175.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -118.04 150.36 39.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.27 -170.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -135.92 129.79 32.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.621 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -101.79 116.8 33.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.227 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 153.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -124.77 116.54 47.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.396 0.617 . . . . 0.0 110.244 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 97.7 mt -99.41 100.8 11.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.282 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 25.2 t70 76.17 -40.83 0.4 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.777 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.7 -34.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.172 -1.014 . . . . 0.0 113.727 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.59 127.97 34.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 117.397 0.599 . . . . 0.0 110.609 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.28 111.79 12.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.51 141.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.569 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -114.45 127.05 55.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.559 -172.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -126.78 136.72 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.839 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.44 134.51 49.46 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.244 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.16 114.79 47.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.567 0.223 . . . . 0.0 111.339 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD22 HG12 ' A' ' 18' ' ' ILE . 53.8 tp -103.75 103.95 13.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.605 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -92.39 95.01 9.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 p -71.04 145.46 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.201 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 113.69 12.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.78 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.53 78.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.021 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD23 ' HE3' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -155.44 171.17 20.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.611 0.243 . . . . 0.0 110.657 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -93.26 -3.8 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.343 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' HB2' HD13 ' A' ' 72' ' ' LEU . 11.1 m-20 -71.46 -78.47 0.08 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.317 0.58 . . . . 0.0 110.432 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.33 71.51 5.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.262 -175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -22.99 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.088 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.801 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.19 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.795 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 56.8 mt -80.8 -18.42 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.65 0.738 . . . . 0.0 109.848 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -91.84 -63.89 1.19 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.763 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.57 -58.06 3.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.08 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.801 HD21 ' HA ' ' A' ' 77' ' ' ALA . 51.6 m-80 -66.02 -17.37 64.64 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.795 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.88 -13.41 36.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.464 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.2 m-30 -88.31 87.76 7.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' NH2' HD12 ' B' ' 423' ' ' LEU . 35.2 ttp85 -170.39 -49.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.365 166.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 t -66.06 -16.78 64.22 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.19 137.5 14.12 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.628 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -98.42 -42.88 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.166 0.483 . . . . 0.0 112.056 -176.042 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.785 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -82.22 132.37 11.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.702 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.459 ' CE2' ' HE2' ' A' ' 115' ' ' LYS . 97.2 m-85 -124.65 142.88 51.06 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.052 0.453 . . . . 0.0 111.132 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.29 111.03 20.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.084 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.32 106.79 18.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.822 HG11 ' HB ' ' A' ' 126' ' ' VAL . 28.7 m -105.45 137.39 35.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.002 0.43 . . . . 0.0 110.629 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -142.84 151.76 41.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.53 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.813 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 5.9 p -105.93 132.86 51.52 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.567 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 4.31 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.1 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.769 HG22 HD12 ' A' ' 132' ' ' LEU . 24.1 p -94.97 -20.92 18.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.812 0.339 . . . . 0.0 110.732 173.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.813 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 18.5 mm-40 -108.52 103.13 12.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.92 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -72.3 -21.19 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.065 0.459 . . . . 0.0 109.842 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.31 -54.89 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.965 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 p -67.36 -30.75 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 m -78.7 -29.28 45.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.183 0.516 . . . . 0.0 110.719 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.9 64.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.982 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.0 p -56.94 -41.34 78.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.39 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.511 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.19 -41.15 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.325 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -59.2 -47.99 83.27 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.142 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -54.12 -55.02 31.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.908 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.43 -28.79 69.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.867 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.43 -33.92 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 95.2 mt -65.87 -47.53 85.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.801 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.97 -7.71 48.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.49 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -78.86 -47.39 16.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.158 0.504 . . . . 0.0 110.535 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 115' ' ' LYS . 34.3 m -100.37 -8.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.707 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.743 ' HG3' HG22 ' A' ' 114' ' ' VAL . 27.3 mtpp -133.14 106.18 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.403 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.34 11.95 0.72 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.837 0.351 . . . . 0.0 111.229 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -106.5 -9.43 16.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -98.62 -174.25 2.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.27 -66.43 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.786 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -153.11 135.48 15.02 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.518 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.3 mt -99.69 107.07 44.06 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.902 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.785 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 79.0 Cg_endo -86.19 128.62 3.16 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 123.052 2.501 . . . . 0.0 112.642 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.702 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 6.5 mp -118.72 122.85 43.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.658 HD11 ' HG2' ' A' ' 153' ' ' GLN . 12.2 tp -119.82 114.6 22.36 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.9 t -85.58 127.82 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.822 ' HB ' HG11 ' A' ' 92' ' ' VAL . 44.2 t -115.52 118.05 57.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.02 108.62 2.61 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.2 t30 -106.43 156.66 18.3 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 33.8 mmtp 67.62 28.34 7.45 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.657 0.598 . . . . 0.0 110.749 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.6 m -74.06 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.455 0.645 . . . . 0.0 110.29 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.99 20.55 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.769 HD12 HG22 ' A' ' 96' ' ' THR . 0.6 OUTLIER -141.41 46.17 1.72 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.389 179.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.47 -21.9 64.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.856 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.35 -23.73 67.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.325 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -105.54 7.0 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -58.9 115.34 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.55 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -91.92 -30.94 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.654 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.48 122.0 29.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.925 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.85 122.28 10.05 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.248 1.965 . . . . 0.0 111.064 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.6 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -67.86 -8.88 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.275 -175.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.28 -46.48 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.99 -16.94 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.59 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.39 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 52.9 mtm-85 -58.4 -37.52 75.47 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 0.0 110.508 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 t -57.2 -47.06 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.009 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 68.2 mmtt -62.88 -34.42 77.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.535 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -59.0 -47.48 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.19 0.519 . . . . 0.0 110.064 175.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.69 -35.7 79.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.656 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.28 -30.34 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.441 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -91.21 -6.83 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.677 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.52 26.78 62.56 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.174 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.702 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 12.0 m -115.01 -174.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.658 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.0 pm0 -114.12 149.06 36.17 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.272 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.41 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 49.1 t80 -120.22 122.97 42.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.06 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.09 128.57 76.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.628 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.3 131.94 39.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.284 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.0 p -132.25 133.79 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 112.061 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 18.1 m -106.0 88.56 2.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.533 ' HB3' HN21 ' A' ' 500' ' ' GNP . . . -61.64 -27.32 68.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.875 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.11 -36.86 71.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.739 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 p -111.61 8.53 20.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.197 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.482 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 86.4 mtm180 61.8 20.53 11.5 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.485 -177.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.28 116.79 17.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 70.44 7.4 6.2 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.989 0.806 . . . . 0.0 112.181 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.05 -38.43 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 111.669 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.79 -24.7 58.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.57 -47.69 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.075 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.14 -30.75 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.7 -48.11 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.453 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.2 m-85 -69.88 -38.17 76.28 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -51.95 67.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.673 0.273 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.1 tp -66.5 -31.99 73.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.14 -34.18 77.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 13.0 mmt180 -72.04 -37.63 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.531 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.48 -29.44 67.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.333 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 172' ' ' LEU . 34.8 mt -66.09 -27.2 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.565 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.52 ' HG2' HD11 ' A' ' 12' ' ' LEU . 74.5 mtt180 -62.43 -32.65 73.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.891 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.0 m -63.97 -30.34 71.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.631 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 9.6 mptt -68.9 -54.49 15.21 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -71.95 -21.91 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.657 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.9 mtt -78.83 -42.28 28.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.5 t 61.1 -70.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.363 1.065 . . . . 0.0 111.592 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.2 95.0 4.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -94.3 -20.77 19.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.765 -179.668 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 19.2 p -166.84 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.502 0.191 . . . . 0.0 111.297 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.03 -47.13 81.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.916 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.557 ' O ' HG12 ' B' ' 398' ' ' ILE . 31.5 m -77.74 -35.56 51.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.78 -33.38 71.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.796 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.8 62.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.9 -38.63 95.76 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.851 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.567 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.8 mm -57.66 -48.09 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.565 0.221 . . . . 0.0 110.882 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.4 mttm -57.56 -44.32 85.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.441 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.74 -39.3 87.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.0 mt-10 -62.12 -45.61 92.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.631 0.253 . . . . 0.0 110.516 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' B' ' 439' ' ' LEU . 71.7 mt -55.35 -52.82 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.105 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.3 mtp180 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 20.0 ttm180 -57.5 -49.84 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.261 176.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.9 mm-40 -73.11 -33.62 65.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.684 -176.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 77.2 mt-10 -60.37 -42.45 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.53 -47.05 77.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.795 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.9 mt -62.4 -51.84 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.595 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.401 HD11 HG13 ' B' ' 432' ' ' VAL . 59.8 tp -63.94 -34.44 77.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.119 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.634 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 46.4 t30 -59.38 -50.42 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 175.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 11.6 t -59.24 -51.05 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.003 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.522 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -52.24 -53.39 44.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 7.7 p80 -68.63 -28.95 67.36 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.195 -176.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -77.78 -52.93 8.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.93 -45.14 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.975 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.556 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.8 mp -63.7 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.276 0.56 . . . . 0.0 110.927 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -68.26 -28.71 67.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.276 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -15.21 75.58 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.701 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.78 -8.52 7.26 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.969 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.1 mt -83.75 115.77 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -139.16 140.6 37.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.722 0.773 . . . . 0.0 111.435 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.698 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.5 t70 -150.81 166.92 29.04 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.456 HD12 ' NH2' ' A' ' 84' ' ' ARG . 2.7 mm? -65.5 -34.55 78.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.029 0.443 . . . . 0.0 110.233 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.664 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.698 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.2 mmtt -69.11 -43.16 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 84' ' ' ARG . 37.6 mt-10 -60.45 -46.19 90.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.551 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.05 -42.9 99.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.132 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.446 ' O ' HG11 ' B' ' 432' ' ' VAL . 11.9 mmt180 -63.64 -41.84 98.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.676 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 429' ' ' LEU . 2.7 mt -55.8 -56.18 23.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 123.325 0.391 . . . . 0.0 110.938 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.721 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 22.3 m95 -64.84 -41.43 95.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.52 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.464 ' O ' HG13 ' B' ' 435' ' ' ILE . 11.5 tp10 -57.67 -56.21 24.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.693 0.283 . . . . 0.0 110.887 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.529 ' HA ' HD13 ' B' ' 435' ' ' ILE . 12.1 p -62.66 -33.41 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.522 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.1 tp60 -54.57 -52.71 61.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.59 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.721 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.14 -35.21 77.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.501 -178.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 432' ' ' VAL . 36.0 mt -64.98 -43.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.205 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.36 -49.54 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.245 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.419 HG22 ' HA ' ' B' ' 434' ' ' ARG . 13.3 t -71.65 -33.95 69.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.556 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -68.86 -35.04 76.45 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.104 176.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 1.0 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -63.96 -42.74 97.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.21 -29.73 70.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.42 . . . . 0.0 110.06 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.0 tmt_? -67.94 -41.2 82.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 1.0 ' HD3' HD12 ' B' ' 439' ' ' LEU . 53.2 mtpt -57.16 -37.5 72.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.408 ' CA ' HG22 ' B' ' 398' ' ' ILE . 56.3 tp -66.02 -36.77 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.75 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -82.26 -5.28 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.63 -54.64 3.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.418 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.872 -177.256 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.791 HO3' ' HB1' ' A' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HG3' ' HB2' ' A' ' 12' ' ' LEU . 35.8 tt0 -88.97 106.09 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.0 110.961 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -122.46 -56.84 1.78 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.656 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 m -111.41 23.59 13.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.407 0.622 . . . . 0.0 109.792 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.543 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 64.7 mt -101.07 22.26 12.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.858 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 12.1 33.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 110.796 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.8 tp -125.29 128.07 47.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.222 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -131.46 148.66 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.068 0.461 . . . . 0.0 111.467 -174.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.88 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.7 tpmt? -124.37 114.82 20.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.52 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t -120.87 120.26 61.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.84 122.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.451 . . . . 0.0 110.733 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.705 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -84.84 117.37 23.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.682 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 92' ' ' VAL . 35.2 m -127.04 170.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.362 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.33 -161.44 28.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.443 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -75.15 92.65 2.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.992 0.425 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 60.46 -102.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.93 52.79 0.44 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG13 ' OE2' ' A' ' 97' ' ' GLU . 28.6 m -54.0 -35.92 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.78 -19.43 0.02 OUTLIER Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.36 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.816 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -61.86 -18.63 60.81 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.26 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.6 t -72.28 -37.81 68.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.7 66.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.249 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.35 -42.19 81.51 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.107 -176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.498 HG22 ' HZ ' ' A' ' 169' ' ' PHE . 45.4 p -71.29 -39.05 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 28' ' ' SER . 82.9 mt -55.67 -40.41 72.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.439 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 52.6 mt-30 -65.93 -32.72 74.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -73.07 -47.48 44.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -81.16 -34.87 32.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.47 -9.75 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.116 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 67.8 7.77 5.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.061 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 11.2 pt-20 -144.55 170.26 16.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.758 0.314 . . . . 0.0 110.72 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -79.07 150.72 31.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.816 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.52 136.69 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.472 . . . . 0.0 111.297 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.65 -39.03 2.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.002 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -134.44 100.49 4.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -171.42 94.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.068 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 mt-10 -84.13 -56.68 0.42 Allowed Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 28.6 Cg_endo -61.38 124.13 14.14 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.45 2.1 . . . . 0.0 112.775 -176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.72 37.39 0.41 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.43 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -85.83 -53.18 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.271 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' HB3' HD12 ' B' ' 409' ' ' LEU . . . -124.01 27.05 7.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.632 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -102.52 88.66 3.31 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.351 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -96.24 150.65 20.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -133.04 117.1 17.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.978 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 56.1 ttp180 -78.97 106.91 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -97.35 134.28 40.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -95.36 119.13 33.33 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.833 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.25 145.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.787 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 60' ' ' GLU . 9.9 p -115.99 120.55 65.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.545 0.688 . . . . 0.0 110.04 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD12 ' CZ ' ' A' ' 174' ' ' ARG . 0.4 OUTLIER -120.12 97.33 5.55 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.023 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 59.12 37.84 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.725 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.69 -123.27 0.73 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.787 -1.197 . . . . 0.0 113.955 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 56' ' ' VAL . 11.5 pt-20 -107.06 168.02 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.94 118.7 8.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.18 0.514 . . . . 0.0 110.72 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 60' ' ' GLU . 57.7 t -106.71 147.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.341 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -113.16 118.32 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 110.387 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 tt -120.37 121.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.946 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 24.1 t0 -102.37 119.64 39.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.003 -176.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.52 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 45.7 mm -108.61 124.66 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.068 -173.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.542 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 31.1 tp -107.81 128.57 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.015 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -99.47 101.98 13.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.2 p -78.95 138.63 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.58 108.57 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.245 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.668 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -77.3 77.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.352 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.51 174.53 13.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -97.39 0.04 47.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' HB2' HD13 ' A' ' 72' ' ' LEU . 19.3 m-20 -79.43 -72.66 0.38 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.5 m-85 -78.98 76.81 5.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.102 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -23.63 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.16 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.08 -15.2 62.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.751 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.633 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.8 mt -96.75 -31.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 110.717 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -91.89 -61.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.76 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -54.14 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.656 -172.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 93.5 m-20 -76.5 -30.64 57.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.633 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -74.66 -24.48 58.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -64.9 -14.97 61.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HG3' ' CD ' ' B' ' 426' ' ' GLU . 2.9 mmt85 -54.53 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.506 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 6.0 m -80.07 15.98 1.35 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.74 0.305 . . . . 0.0 111.457 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.88 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -86.78 135.47 13.27 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.421 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 80.1 mt-10 -97.61 -72.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.893 0.378 . . . . 0.0 110.485 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.437 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -100.21 143.0 16.15 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.361 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.12 129.33 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -103.59 113.44 26.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.563 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD11 HD23 ' A' ' 123' ' ' LEU . 80.6 mt -88.5 107.4 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 27' ' ' LYS . 28.5 m -106.44 147.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.27 0.557 . . . . 0.0 112.239 -174.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -156.65 148.57 22.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.566 ' HB2' ' HB3' ' A' ' 129' ' ' LYS . 98.2 p -84.76 153.17 23.19 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.901 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.6 10.25 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.148 0.499 . . . . 0.0 112.219 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 94' ' ' SER . 3.0 p -119.64 7.56 11.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.212 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' OE2' HG13 ' A' ' 25' ' ' VAL . 42.5 mt-10 -118.81 97.98 5.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -80.05 -27.58 39.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.67 -56.44 15.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.139 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.8 m -62.28 -28.28 69.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.37 178.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.1 t80 -62.45 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -75.53 -28.08 58.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.211 0.529 . . . . 0.0 110.488 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -14.57 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.053 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.507 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 33.8 p -55.56 -38.38 69.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.604 0.24 . . . . 0.0 111.621 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.19 87.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.77 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.66 -46.51 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.953 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.8 m-85 -61.25 -48.05 83.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.762 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.81 -54.94 27.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.514 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.28 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.805 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.62 -30.35 65.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.5 mt -64.79 -42.34 94.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.975 0.416 . . . . 0.0 110.51 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.04 -26.7 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.21 -40.83 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.755 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.71 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.6 m -96.44 -0.71 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.71 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -129.74 -73.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.669 0.271 . . . . 0.0 111.061 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.526 ' HB2' ' OE2' ' A' ' 117' ' ' GLU . . . 60.86 -88.3 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.831 0.853 . . . . 0.0 113.145 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.526 ' OE2' ' HB2' ' A' ' 116' ' ' ALA . 1.7 pm0 -79.7 62.73 4.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.58 0.705 . . . . 0.0 112.068 -174.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.408 ' HG3' ' HE3' ' A' ' 115' ' ' LYS . 11.4 mm-40 -95.78 -163.07 1.01 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.501 174.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.04 -84.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.94 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 30.6 mmmt -149.05 113.85 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.09 108.31 12.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.931 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 49.6 Cg_endo -91.19 117.02 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.012 2.475 . . . . 0.0 112.512 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 91' ' ' LEU . 6.2 mp -102.8 151.82 21.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.056 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.692 HD11 ' HG3' ' A' ' 153' ' ' GLN . 2.6 tp -145.04 117.52 8.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.9 t -84.44 118.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.702 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.6 t -110.22 110.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.745 -175.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.45 104.43 2.72 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' A' ' 94' ' ' SER . 8.6 p30 -102.74 177.79 4.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.74 0.305 . . . . 0.0 111.201 -174.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.566 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 19.2 tptm 65.63 25.26 11.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.79 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -70.24 0.9 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.92 -15.41 63.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.539 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 135' ' ' ARG . 71.0 mt -77.4 -53.04 8.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 65.01 -76.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.362 0.665 . . . . 0.0 112.18 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.417 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . 24.3 ttm180 -94.9 8.92 41.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 120.929 0.395 . . . . 0.0 110.3 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -53.28 118.89 4.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.021 -175.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.434 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 33.5 tt0 -94.28 -35.48 12.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.46 118.07 37.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.45 133.04 35.59 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.213 1.942 . . . . 0.0 111.893 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 144' ' ' ARG . 19.2 t -57.08 -20.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.223 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.06 -52.86 61.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.34 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.92 -24.75 55.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.815 0.34 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.475 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -69.39 -47.27 64.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' HG13 ' A' ' 140' ' ' VAL . 69.3 mtp180 -63.05 -35.44 80.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.508 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -63.91 -40.67 97.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.89 -46.55 74.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 152' ' ' VAL . . . -58.15 -42.37 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.46 -41.11 98.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.86 -33.72 76.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -81.51 -8.19 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.338 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.46 23.29 56.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.285 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 147' ' ' ALA . 35.5 m -120.43 -179.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.589 0.233 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.692 ' HG3' HD11 ' A' ' 124' ' ' LEU . 11.6 pt20 -106.83 156.33 18.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.22 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.476 ' HE2' HG12 ' A' ' 140' ' ' VAL . 83.3 t80 -121.54 124.09 43.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.955 175.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.38 135.6 61.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.072 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.99 149.3 25.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.317 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 7.1 p -136.38 134.49 37.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.378 0.609 . . . . 0.0 111.622 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.2 m -112.93 129.2 56.56 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.515 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -100.11 -35.09 9.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.667 0.27 . . . . 0.0 111.438 -172.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.448 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 28.0 tptp -70.09 -26.47 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.298 0.57 . . . . 0.0 110.144 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.5 p -109.11 -13.45 14.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.293 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? 60.74 83.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.777 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.79 25.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.581 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 70.68 3.24 4.47 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.004 0.815 . . . . 0.0 112.088 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.06 -40.69 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.312 0.577 . . . . 0.0 109.904 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 -44.17 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.331 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -56.43 -52.7 63.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.772 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -55.89 -30.83 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.498 ' HZ ' HG22 ' A' ' 31' ' ' THR . 61.1 m-85 -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.545 176.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.482 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 51.8 m-85 -59.95 -39.6 86.12 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.055 0.222 . . . . 0.0 111.559 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -56.89 -51.51 68.82 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.72 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.534 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -65.07 -40.32 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.231 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.4 mtp -59.87 -31.55 69.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.221 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.662 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 29.6 mmt180 -72.64 -45.07 60.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.81 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 9.0 mm-40 -57.98 -37.76 74.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 175.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.8 mt -55.81 -43.65 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.991 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 36.2 ptt180 -66.49 -36.73 83.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.41 -41.94 79.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.94 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 64.9 mmtt -61.63 -41.75 97.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.981 0.419 . . . . 0.0 110.731 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.15 -29.01 68.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.2 mtm -86.7 -6.83 58.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.844 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.1 m -78.25 -32.0 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.987 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.837 ' HG3' ' H ' ' A' ' 184' ' ' ASN . 5.6 tp10 -135.66 -162.71 1.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.837 ' H ' ' HG3' ' A' ' 183' ' ' GLU . 48.7 m-80 76.14 67.72 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.715 0.806 . . . . 0.0 110.326 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.908 177.558 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.436 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 15.8 m -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -54.76 -55.37 30.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.958 0.408 . . . . 0.0 111.385 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.587 HG21 ' HB1' ' B' ' 446' ' ' ALA . 8.8 t -80.94 -19.51 44.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.535 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 86.1 mt-30 -58.99 -28.83 66.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.776 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.01 -55.23 35.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.53 -37.92 78.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.54 ' O ' HG13 ' B' ' 402' ' ' ILE . 22.2 mm -54.54 -51.37 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.51 -32.85 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.536 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.13 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 110.91 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 23.8 mt-10 -78.18 -34.97 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.685 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.684 HG12 ' HB3' ' B' ' 439' ' ' LEU . 69.6 mt -57.28 -54.17 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.256 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -64.29 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.576 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.2 ttm180 -58.47 -48.22 81.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.788 173.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.511 ' OE1' HG22 ' B' ' 432' ' ' VAL . 69.9 mm-40 -75.27 -30.32 60.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.631 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 45.2 mt-10 -59.55 -45.28 92.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.31 -48.29 65.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.2 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 80.7 mt -60.03 -51.99 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.969 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.714 HD23 HG12 ' B' ' 432' ' ' VAL . 3.3 tm? -64.13 -34.78 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.644 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 61.2 t30 -64.07 -45.62 87.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.344 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.8 t -59.13 -51.95 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.411 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.526 HD21 ' O ' ' B' ' 408' ' ' LEU . 2.8 mm? -52.86 -34.7 55.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.919 0.39 . . . . 0.0 111.016 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -72.81 -39.68 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.644 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 18.9 mtm180 -76.72 -54.08 7.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.438 0.637 . . . . 0.0 110.785 -176.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.95 -40.25 87.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.987 -168.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.474 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -72.45 -23.91 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.42 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 3.8 mt-30 -54.23 -30.44 50.09 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.851 0.46 . . . . 0.0 111.778 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.15 2.42 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.157 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.02 37.42 83.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.438 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.8 mt -119.06 133.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.413 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -157.6 145.03 18.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.612 . . . . 0.0 110.676 172.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.625 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.79 158.91 44.49 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 176.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.045 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.19 -36.72 85.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 0.0 110.297 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.625 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 34.2 mmtt -72.51 -46.25 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.035 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 62.7 mt-10 -59.82 -47.49 85.48 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.086 -175.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.35 -48.3 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.699 ' O ' HG13 ' B' ' 432' ' ' VAL . 25.9 mmt180 -60.76 -39.89 90.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.086 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -54.82 -54.56 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.576 0.547 . . . . 0.0 110.914 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.542 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 52.0 m95 -70.93 -31.83 68.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.603 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 37.9 tt0 -65.01 -56.44 13.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.446 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.714 HG12 HD23 ' B' ' 409' ' ' LEU . 5.6 p -62.76 -33.91 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.241 0.543 . . . . 0.0 110.233 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -55.49 -53.3 58.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.035 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -71.0 -26.84 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.109 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' B' ' 432' ' ' VAL . 53.5 mt -70.38 -45.21 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.416 HD12 ' HB2' ' B' ' 405' ' ' GLN . 18.1 tp -60.35 -43.59 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 111.379 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.51 HG21 ' HA ' ' B' ' 434' ' ' ARG . 15.0 t -68.99 -33.29 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.591 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.39 -40.18 85.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.684 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -59.14 -43.13 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.262 178.177 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.54 -41.31 89.79 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.337 0.589 . . . . 0.0 110.164 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -66.03 -44.03 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.602 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -61.04 -32.72 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.894 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.465 ' HB2' HD12 ' B' ' 402' ' ' ILE . 62.2 tp -63.28 -48.04 79.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -79.39 -7.29 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.01 0.433 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.7 -26.6 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.988 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.587 ' HB1' HG21 ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.219 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.515 ' C6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' HA ' HD11 ' A' ' 12' ' ' LEU . 64.3 tt0 59.84 76.51 0.36 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.666 0.746 . . . . 0.0 111.032 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 p -143.58 -64.54 0.38 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.731 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -95.66 16.75 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.44 0.638 . . . . 0.0 110.072 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD23 ' HD3' ' A' ' 180' ' ' LYS . 91.7 mt -84.3 -5.79 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.51 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -90.1 6.33 42.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.043 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 tp -134.92 133.76 39.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.281 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -135.98 131.32 34.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.0 tpmt? -101.81 107.44 18.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.085 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -122.51 129.66 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.273 0.559 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.14 127.14 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 49.7 ttm -97.16 127.17 42.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 91' ' ' LEU . 25.5 m -93.55 176.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.836 0.351 . . . . 0.0 111.23 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' HA3' ' HD2' ' A' ' 27' ' ' LYS . . . 143.21 -179.25 20.87 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 1.033 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 21.6 m -133.83 -65.02 0.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.876 0.338 . . . . 0.0 110.856 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.05 -97.02 1.13 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.621 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.78 -85.52 1.85 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.406 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t 71.33 -52.58 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.508 0.723 . . . . 0.0 111.637 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.433 ' HA2' HO3' ' A' ' 500' ' ' GNP . . . 139.49 14.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.1 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -76.73 4.89 8.6 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -121.95 -33.63 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.939 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.22 70.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.384 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.31 -41.9 93.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.326 0.584 . . . . 0.0 110.859 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.57 HG23 HG23 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -62.75 -38.38 90.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.364 -173.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 HG21 ' A' ' 40' ' ' VAL . 28.1 tp -68.64 -30.96 69.78 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.005 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.693 HE22 ' HA ' ' A' ' 39' ' ' PHE . 71.0 mm-40 -63.58 -40.84 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 110.1 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -70.2 -27.81 64.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.298 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtm -97.86 -53.12 3.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.898 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.23 -21.47 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 66.9 29.61 8.16 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.942 0.877 . . . . 0.0 109.283 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -127.06 148.34 50.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.879 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.693 ' HA ' HE22 ' A' ' 33' ' ' GLN . 67.6 t80 -81.6 149.47 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG12 ' HB3' ' A' ' 43' ' ' TYR . 24.0 t -75.17 100.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 111.338 -175.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -98.18 -38.2 9.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -151.71 86.92 1.34 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.469 ' HB3' HG12 ' A' ' 40' ' ' VAL . 82.7 t80 -160.93 105.95 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -95.75 -64.3 0.11 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.393 176.39 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.566 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 22.7 Cg_exo -24.5 84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.607 0 C-N-CA 125.113 3.875 . . . . 0.0 115.269 -167.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.568 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 11.7 p -148.42 22.81 1.04 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.262 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -85.44 -58.48 2.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.246 0.546 . . . . 0.0 110.501 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -126.4 -20.5 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.973 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -97.59 162.73 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.1 t -135.99 169.46 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.994 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.72 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 11.9 t80 -136.19 123.24 21.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -75.36 132.7 41.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -117.4 130.2 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.322 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -100.55 130.27 46.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.01 146.98 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 0.0 110.459 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 60' ' ' GLU . 8.5 p -124.64 135.97 62.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -134.51 97.96 3.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.824 0.345 . . . . 0.0 110.266 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 52.09 34.87 15.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.444 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.45 -122.82 0.66 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.992 -1.099 . . . . 0.0 113.869 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.0 pt-20 -102.37 156.15 17.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -173.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 117.13 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.235 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.51 HG11 ' HA ' ' A' ' 13' ' ' ALA . 6.7 t -107.44 144.45 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.527 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.6 125.27 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.371 0.605 . . . . 0.0 109.92 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD11 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -122.02 149.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.633 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -124.37 117.1 23.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.319 -176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG23 HG23 ' A' ' 31' ' ' THR . 4.4 mm -108.07 112.91 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.584 0.231 . . . . 0.0 110.775 -174.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.572 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 25.5 tp -95.7 128.05 42.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.446 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.568 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 32.5 t0 -92.2 -174.91 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -149.44 139.11 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.512 -0.742 . . . . 0.0 112.719 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' H ' HG23 ' A' ' 78' ' ' ILE . . . -85.02 100.49 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 163.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 1.033 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -75.48 76.14 1.34 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.92 -174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.14 171.05 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.697 0.284 . . . . 0.0 110.626 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.33 -29.53 22.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.12 -68.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.052 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.551 ' H ' HD12 ' A' ' 72' ' ' LEU . 32.7 m-85 -86.69 76.3 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.538 -175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.91 -18.99 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.789 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.47 -7.15 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.054 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.49 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 38.5 mt -102.87 -43.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.622 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -91.35 -63.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.942 0.401 . . . . 0.0 110.619 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -67.14 -49.51 64.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.409 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.688 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 46.1 m-80 -72.77 -35.21 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -74.6 -36.6 62.99 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -58.03 -25.64 61.41 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.734 0.302 . . . . 0.0 111.593 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -48.88 -56.97 7.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.287 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.8 t -96.88 24.57 6.03 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.169 0.509 . . . . 0.0 111.15 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.686 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.58 141.2 15.44 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.332 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.7 mt-10 -89.39 -75.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.411 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -104.06 146.07 16.23 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.328 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.39 129.31 51.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.294 0.568 . . . . 0.0 111.256 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.06 102.58 14.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.792 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.476 ' HA ' HG22 ' A' ' 20' ' ' VAL . 81.9 mt -78.94 105.07 10.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.771 HG13 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -111.62 134.41 54.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.119 0.485 . . . . 0.0 111.1 -177.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -145.38 163.74 33.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.311 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 129' ' ' LYS . 5.6 p -105.05 139.39 39.81 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.297 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.542 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.56 11.19 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.79 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.425 ' CG2' HD21 ' A' ' 132' ' ' LEU . 29.7 p -103.49 -50.04 3.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.074 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.55 99.31 10.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -61.23 -25.85 67.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.583 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -33.09 71.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.999 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 m -68.86 -36.57 78.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.053 0.454 . . . . 0.0 110.212 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.57 -38.2 86.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 m -65.92 -37.23 85.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.09 -14.75 61.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.7 p -57.14 -39.5 75.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 111.417 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.42 -39.8 85.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.477 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.34 -44.45 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.86 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.546 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.3 m-85 -57.58 -51.15 70.68 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.391 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -59.24 -53.75 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.42 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.11 -31.14 72.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.636 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.37 -33.3 71.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.41 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.6 mt -64.8 -43.07 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.853 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.49 -17.48 61.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -72.47 -36.03 68.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.908 0.385 . . . . 0.0 110.551 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.848 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.5 m -98.09 -6.82 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.446 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.848 ' HG3' HG23 ' A' ' 114' ' ' VAL . 25.0 mtpp -137.51 -140.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.97 6.15 5.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 112.832 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -112.57 16.19 19.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.653 0.74 . . . . 0.0 109.567 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.18 -155.75 0.58 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.514 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.15 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.228 0.467 . . . . 0.0 111.566 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 120' ' ' LYS . 12.8 mmmm -145.04 148.14 33.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.142 0.496 . . . . 0.0 111.085 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.9 mt -113.62 109.76 50.43 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.372 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.9 Cg_endo -85.66 127.81 3.27 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.962 2.441 . . . . 0.0 112.327 174.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.429 HD23 HD13 ' A' ' 91' ' ' LEU . 4.8 mp -123.28 122.64 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.619 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.661 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.0 tp -113.25 122.96 49.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.91 121.83 42.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.144 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.771 ' HB ' HG13 ' A' ' 92' ' ' VAL . 48.4 t -117.12 130.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.592 -176.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.19 119.94 6.35 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.137 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 61.5 t30 -105.27 166.98 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.569 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.6 mptm? 81.22 14.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.098 0.959 . . . . 0.0 111.338 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m -72.05 -3.81 25.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.87 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 3.1 p30 -86.43 -1.87 57.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.915 HD23 ' HB2' ' A' ' 135' ' ' ARG . 3.5 tp -98.58 -60.73 1.49 Allowed 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.418 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 38.3 tt0 69.87 -48.64 0.62 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.845 0.858 . . . . 0.0 112.473 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.59 ' HG2' ' HG3' ' A' ' 135' ' ' ARG . 3.3 tt0 -55.41 -48.14 74.84 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.508 0.723 . . . . 0.0 111.971 -173.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.915 ' HB2' HD23 ' A' ' 132' ' ' LEU . 66.7 mtt180 -103.08 33.51 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -175.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -64.59 113.97 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.959 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -91.42 -12.27 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.773 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.85 118.92 11.42 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.481 . . . . 0.0 110.446 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.06 135.9 53.59 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.921 2.414 . . . . 0.0 112.552 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -63.09 -21.87 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.86 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.66 -56.03 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.11 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.74 -22.91 49.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.998 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 140' ' ' VAL . . . -66.37 -39.63 89.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtp180 -67.42 -32.39 73.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.36 0.6 . . . . 0.0 110.381 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 24.6 t -75.72 -19.39 59.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.076 -176.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HA ' ' OE2' ' A' ' 149' ' ' GLU . 12.1 tppt? -72.91 -41.51 64.51 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.766 175.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.75 74.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.051 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 145' ' ' SER . 33.9 tt0 -60.65 -38.18 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.795 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.482 ' OE2' ' HA ' ' A' ' 146' ' ' LYS . 47.2 mt-10 -57.8 -42.0 83.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -90.84 -15.34 30.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.172 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.91 32.83 43.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.951 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.85 -174.93 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-O 120.569 0.223 . . . . 0.0 110.816 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.661 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -104.33 147.33 27.63 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.802 178.408 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -127.17 120.29 28.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.153 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.75 136.24 60.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.28 147.26 26.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.761 0.315 . . . . 0.0 110.47 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 11.0 p -130.89 148.01 52.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.435 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.87 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.1 m -138.25 100.26 4.08 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.22 -25.9 66.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.612 -173.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.54 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.449 HG21 ' HB3' ' A' ' 163' ' ' ALA . 13.5 t -119.96 8.66 11.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.142 0.496 . . . . 0.0 110.365 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 60.59 30.07 19.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.794 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.449 ' HB3' HG21 ' A' ' 161' ' ' THR . . . -77.19 117.15 18.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.432 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.8 13.36 8.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.187 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.08 -49.84 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.858 0.361 . . . . 0.0 110.643 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -76.91 -26.95 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.66 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.964 -175.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.13 -25.67 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -72.66 -56.21 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.46 -37.4 83.48 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.593 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -46.53 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.396 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 176' ' ' ILE . 43.6 tp -69.76 -36.56 75.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.443 ' SD ' HD11 ' A' ' 64' ' ' ILE . 66.8 mtp -58.94 -32.44 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.297 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -72.66 -42.37 64.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.117 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.425 ' HB3' ' HZ3' ' A' ' 179' ' ' LYS . 8.8 mt-10 -59.98 -35.61 75.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.57 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 75.5 mt -56.4 -33.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -60.46 -51.49 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.283 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.3 m -55.4 -47.44 75.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.231 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.425 ' HZ3' ' HB3' ' A' ' 175' ' ' GLU . 2.0 mppt? -69.88 -47.25 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.58 ' HD3' HD23 ' A' ' 12' ' ' LEU . 10.2 tttp -61.29 -34.95 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 94.9 mtp -82.21 -13.95 56.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.925 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.5 p 48.86 87.02 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.029 0.831 . . . . 0.0 112.067 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 61.5 93.0 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.691 0.758 . . . . 0.0 111.403 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -97.12 13.84 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.854 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.206 177.318 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.477 ' H3 ' ' CD ' ' B' ' 393' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.3 p -92.55 50.01 1.55 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.907 0.384 . . . . 0.0 110.697 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.477 ' CD ' ' H3 ' ' B' ' 391' ' ' GLY . 2.2 mp0 -55.61 126.75 26.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.756 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.497 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.7 m 74.3 -40.8 0.46 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.477 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.29 -31.76 72.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.91 41.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.58 -37.75 95.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.095 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' B' ' 443' ' ' LEU . 33.6 mm -55.94 -53.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.504 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 65.2 mttm -59.52 -40.07 85.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.369 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.93 -40.03 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.0 mt-10 -74.87 -31.57 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.074 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.573 HG12 ' HB3' ' B' ' 439' ' ' LEU . 80.6 mt -56.3 -50.02 73.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 76.6 mtp180 -55.4 -42.66 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.4 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.403 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 20.0 ttm180 -60.3 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.293 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.477 ' HB2' HD13 ' B' ' 436' ' ' LEU . 74.5 mm-40 -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -173.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.433 ' OE2' HD22 ' B' ' 436' ' ' LEU . 3.8 mm-40 -59.62 -37.95 80.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.796 0.331 . . . . 0.0 110.406 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -67.55 -48.51 66.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.038 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.414 ' HB2' HG22 ' B' ' 432' ' ' VAL . 7.0 mp -56.36 -48.59 76.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.486 0.184 . . . . 0.0 111.44 175.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 409' ' ' LEU . 1.8 tm? -55.78 -48.72 74.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 109.714 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.85 -48.26 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.269 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.6 t -62.01 -53.2 58.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.631 HD13 ' HG3' ' B' ' 428' ' ' ARG . 37.0 mt -54.0 -35.25 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.52 ' CD2' HD23 ' B' ' 429' ' ' LEU . 4.1 m-70 -66.44 -46.21 77.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.049 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -74.13 -33.6 63.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.601 0.239 . . . . 0.0 111.44 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.167 0.508 . . . . 0.0 110.348 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' B' ' 425' ' ' LYS . 3.6 mp -74.3 -27.16 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.284 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -27.96 55.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.84 -14.09 82.48 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.09 -0.505 . . . . 0.0 113.138 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.02 2.3 39.15 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.102 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.09 121.42 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.581 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 19.3 pttp -130.26 142.99 50.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.126 0.965 . . . . 0.0 112.912 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.516 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.4 t70 -149.14 163.99 36.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.778 -1.555 . . . . 0.0 106.886 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.77 -28.41 67.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.344 0.593 . . . . 0.0 109.781 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 13.0 m -63.26 -42.49 99.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.4 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.728 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -72.75 -37.17 67.78 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.728 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -73.6 -38.0 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.41 -37.25 77.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.346 0.593 . . . . 0.0 109.559 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.631 ' HG3' HD13 ' B' ' 412' ' ' LEU . 14.0 tpp180 -68.02 -37.88 81.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.694 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' B' ' 413' ' ' HIS . 0.5 OUTLIER -56.86 -50.86 71.18 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.732 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 70.1 m95 -68.13 -32.89 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.504 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.643 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -63.02 -55.89 21.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.07 0.231 . . . . 0.0 111.024 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.57 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.4 p -60.91 -34.03 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 109.897 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.468 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.2 tp60 -55.92 -53.67 54.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.5 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.732 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.3 OUTLIER -70.73 -27.35 63.9 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.062 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.57 HD11 ' HA ' ' B' ' 432' ' ' VAL . 61.6 mt -67.62 -48.25 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.672 ' HG ' ' HE3' ' B' ' 440' ' ' LYS . 28.7 tp -62.15 -45.92 91.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.67 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.72 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.2 t -67.51 -34.53 77.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.636 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.92 -37.58 75.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.169 175.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.573 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -56.44 -47.62 78.73 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.406 176.227 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.672 ' HE3' ' HG ' ' B' ' 436' ' ' LEU . 92.9 mttt -66.01 -34.93 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.935 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -64.17 -44.99 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -60.51 -32.46 71.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.068 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.507 ' HA ' HG22 ' B' ' 398' ' ' ILE . 58.6 tp -61.2 -48.61 80.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.915 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -77.6 -11.34 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.48 -30.71 23.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.049 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.841 -179.782 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.433 HO3' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.401 HE22 HD23 ' A' ' 12' ' ' LEU . 5.2 pm0 -162.11 -32.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 p -178.24 156.62 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -64.94 120.43 12.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.841 0.353 . . . . 0.0 110.066 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD11 ' HE3' ' A' ' 181' ' ' MET . 0.7 OUTLIER -115.59 33.6 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 110.488 -175.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.13 16.56 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.518 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.769 HD23 HH22 ' B' ' 434' ' ' ARG . 57.4 tp -119.91 116.67 26.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.197 176.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.465 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 22.7 m-70 -127.94 152.3 48.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.59 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -122.43 124.31 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.844 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.19 110.06 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.003 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD13 ' CE1' ' A' ' 89' ' ' PHE . 64.9 mt -96.89 128.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 52.5 tpp -83.53 103.36 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 HD21 ' A' ' 91' ' ' LEU . 6.0 m -95.72 110.69 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.844 0.83 . . . . 0.0 111.988 -172.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA3' ' HD3' ' A' ' 27' ' ' LYS . . . -168.53 163.53 37.25 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.296 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.801 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 16.2 m -104.13 9.79 36.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 117.533 0.667 . . . . 0.0 110.398 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -153.04 17.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.0 3.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.043 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 93' ' ' PHE . 20.4 m -81.79 -37.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.99 -63.08 0.56 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.028 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' HA3' ' A' ' 21' ' ' GLY . 43.4 mtmt 71.86 -53.8 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.947 1.299 . . . . 0.0 111.352 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 503' ' ' HOH . 4.7 m -75.64 -20.73 58.29 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.532 -172.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.49 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.64 -41.61 60.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.442 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD13 ' HB ' ' A' ' 40' ' ' VAL . 84.7 mt -58.25 -27.61 64.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.88 HE22 ' HA ' ' A' ' 39' ' ' PHE . 64.2 mm-40 -66.95 -38.13 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.64 0.733 . . . . 0.0 109.786 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.43 -17.94 61.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.246 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.42 -44.1 3.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -105.73 -4.42 20.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 73.38 -37.78 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.754 0.659 . . . . 0.0 112.497 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -97.44 165.2 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.322 0.582 . . . . 0.0 111.62 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.88 ' HA ' HE22 ' A' ' 33' ' ' GLN . 26.0 t80 -76.34 150.81 36.82 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.349 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.522 ' HB ' HD13 ' A' ' 32' ' ' LEU . 3.3 p -76.9 126.35 37.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.947 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -85.6 -51.03 6.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -158.2 129.55 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -171.99 91.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.663 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.9 mt-10 -81.03 -55.95 0.64 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.7 Cg_exo -60.54 111.34 1.0 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.171 1.914 . . . . 0.0 112.663 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 30.01 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -78.82 -56.11 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.583 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.49 15.99 24.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.576 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.21 115.98 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.9 t -143.35 137.76 28.98 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.257 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -124.46 125.93 45.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.216 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -95.35 105.54 17.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -97.82 137.83 36.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.914 -171.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -98.62 120.03 38.34 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.914 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.96 144.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 p -115.75 106.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.726 0.774 . . . . 0.0 110.151 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.479 HD23 ' CE1' ' A' ' 170' ' ' PHE . 86.8 mt -93.0 99.59 12.18 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.105 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 74.14 -32.69 0.24 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.491 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.24 -52.3 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.23 -1.462 . . . . 0.0 114.772 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.85 140.81 29.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.996 0.898 . . . . 0.0 111.745 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.33 111.07 9.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.22 140.65 23.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.334 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.46 128.05 56.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -122.87 124.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.804 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.59 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 36.8 m-20 -87.24 120.31 28.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.12 128.48 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.888 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD23 ' CD2' ' A' ' 82' ' ' TYR . 21.2 tp -132.67 140.55 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.615 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -92.12 -41.42 10.49 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.331 0.253 . . . . 0.0 111.595 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.538 ' HA ' HG23 ' A' ' 78' ' ' ILE . 32.6 p 65.66 152.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.621 1.168 . . . . 0.0 112.268 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -98.37 131.09 44.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.801 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -95.55 65.45 1.24 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.067 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -159.28 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.47 -20.22 61.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.551 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' HD12 ' A' ' 72' ' ' LEU . 5.0 m-20 -58.4 -47.89 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.2 m-85 -117.65 65.87 0.74 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.56 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.74 67.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.726 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -70.49 -12.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.049 0.452 . . . . 0.0 111.08 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.538 HG23 ' HA ' ' A' ' 69' ' ' THR . 16.6 mt -98.48 -28.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 26.1 tpt180 -92.55 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.79 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.29 -48.35 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.43 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.726 HD21 ' HA ' ' A' ' 77' ' ' ALA . 91.6 m-20 -69.43 -15.7 63.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.492 -171.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' CD2' HD23 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -89.47 -3.58 58.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.808 -0.557 . . . . 0.0 112.048 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -76.22 -27.2 56.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -59.4 -55.34 35.99 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.632 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 31.4 m -80.9 36.59 0.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 111.292 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.29 118.9 3.8 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.867 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 34.2 mt-10 -81.17 -63.43 1.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.27 148.14 17.06 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.461 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CE1' HD13 ' A' ' 18' ' ' ILE . 97.9 m-85 -129.87 123.15 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.274 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.77 127.37 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 20' ' ' VAL . 72.4 mt -100.12 106.54 18.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.513 177.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.638 HG13 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -117.68 129.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.002 0.43 . . . . 0.0 110.657 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.51 ' HA ' HG13 ' A' ' 25' ' ' VAL . 25.1 p90 -144.96 157.3 44.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.194 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' OG ' HG12 ' A' ' 25' ' ' VAL . 7.7 p -94.75 132.49 39.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.99 177.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.94 15.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.133 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.674 HG22 HD12 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -103.61 -14.61 16.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.95 174.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -114.36 100.8 8.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.514 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.432 ' HA ' HG23 ' A' ' 138' ' ' VAL . 26.4 t-80 -65.45 -23.43 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.33 -46.38 83.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.139 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -63.61 -34.21 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.617 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.52 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 65.4 t80 -64.88 -48.52 73.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -28.32 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.675 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.25 -15.64 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.326 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.59 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.9 p -59.09 -33.4 70.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 111.257 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.57 81.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.118 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.581 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -57.71 -51.36 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.653 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -68.04 -49.87 58.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.1 mt-10 -63.77 -37.33 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.044 -174.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.03 -30.51 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 0.0 110.427 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.6 mt -63.26 -48.55 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.099 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.33 -21.14 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.533 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 28.1 mmm180 -66.66 -30.35 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.475 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.6 m -117.66 -3.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.059 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -122.5 -142.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.826 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.43 23.06 2.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.424 0.69 . . . . 0.0 111.72 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.55 -13.94 12.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.219 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -86.06 -170.43 3.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.991 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -68.21 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.929 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 25.0 mmtm -153.38 127.61 9.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 111.122 -175.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.5 mt -94.52 106.78 25.77 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.116 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 74.1 Cg_endo -87.76 133.6 3.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.981 2.454 . . . . 0.0 112.259 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.3 131.4 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.265 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.684 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -116.35 120.85 40.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.576 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.7 t -86.96 117.78 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.05 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.638 ' HB ' HG13 ' A' ' 92' ' ' VAL . 26.4 t -108.54 118.28 55.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.089 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.88 94.79 1.68 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.594 HD22 ' HB2' ' A' ' 159' ' ' ALA . 3.7 t-20 -93.77 163.15 13.64 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -176.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.505 ' HE2' ' C4 ' ' A' ' 500' ' ' GNP . 1.7 mptm? 71.81 24.05 3.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -70.92 1.01 6.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.371 0.605 . . . . 0.0 110.236 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -22.15 64.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.718 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.674 HD12 HG22 ' A' ' 96' ' ' THR . 31.3 mt -75.83 -56.63 4.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.149 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 67.91 -71.6 0.11 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.779 0.674 . . . . 0.0 112.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.31 -30.6 71.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.509 ' O ' HG21 ' A' ' 96' ' ' THR . 62.5 mtp180 -89.05 11.67 17.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -57.81 114.14 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 111.482 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.443 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 34.9 tt0 -95.75 -30.45 13.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 98' ' ' HIS . 85.0 t -88.05 111.94 46.04 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.275 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 39.2 Cg_exo -60.26 114.28 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.107 1.871 . . . . 0.0 110.877 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.91 -25.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.778 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.59 -51.67 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.638 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.58 -30.3 46.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.52 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -58.55 -51.13 71.19 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.977 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -69.29 -36.19 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 15.8 t -62.86 -25.41 68.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.512 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 42.8 mmtt -70.84 -37.5 73.15 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.975 -0.453 . . . . 0.0 111.057 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.17 93.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.555 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 145' ' ' SER . 27.1 tt0 -59.12 -46.08 89.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.805 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.95 -44.39 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -85.74 -13.16 49.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.447 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.11 39.31 20.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.153 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.4 m -127.61 -173.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.684 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -106.86 157.7 17.56 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.17 0.51 . . . . 0.0 111.086 178.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -129.39 114.88 16.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.638 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.87 125.38 70.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.04 128.44 34.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.0 p -127.8 135.75 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.404 0.621 . . . . 0.0 112.661 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 38.4 t -95.88 114.69 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.758 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.594 ' HB2' HD22 ' A' ' 128' ' ' ASN . . . -84.87 -13.74 50.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -78.41 -33.62 48.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 110.103 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.4 p -95.8 -10.39 29.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.733 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 62.18 37.0 14.66 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.416 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.63 130.14 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.474 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 62.19 16.23 8.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.686 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 168' ' ' VAL . 78.1 t -71.28 -40.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.171 0.51 . . . . 0.0 110.026 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.26 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.2 -50.83 71.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.025 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 165' ' ' VAL . 22.4 m -60.97 -28.04 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -76.09 -50.1 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 18.6 m-85 -65.56 -48.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.7 -177.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -44.13 92.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.612 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 176' ' ' ILE . 32.5 tp -63.14 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 0.0 110.238 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.413 ' SD ' HD13 ' A' ' 64' ' ' ILE . 72.5 mtm -66.33 -31.21 71.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 14.0 mmt180 -67.31 -41.96 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.492 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.17 -36.6 80.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.404 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.597 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 74.9 mt -61.68 -36.54 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 12.6 mtt180 -52.66 -43.1 65.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.183 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -55.0 -43.01 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.548 0.53 . . . . 0.0 111.847 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.445 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -73.04 -34.01 66.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.727 0.299 . . . . 0.0 110.782 -178.269 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 28.4 mmmt -64.93 -45.23 86.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.061 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.477 ' HE3' HD11 ' A' ' 12' ' ' LEU . 58.1 mtt -83.07 -18.26 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.242 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.4 m 69.94 173.6 0.3 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.172 0.92 . . . . 0.0 111.231 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.85 -169.91 0.2 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.425 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.79 20.31 8.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.044 0.45 . . . . 0.0 110.786 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.239 178.208 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 35.3 p -135.59 17.09 3.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 6.3 mp0 -64.47 -47.55 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.669 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.429 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.5 m -75.79 -32.53 59.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -62.58 -35.88 80.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.961 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.55 -50.28 73.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.313 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.21 -39.16 97.31 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.953 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.523 ' O ' HG13 ' B' ' 402' ' ' ILE . 37.9 mm -58.98 -47.99 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.97 -36.55 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.7 mt-10 -62.1 -45.13 94.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 110.178 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.574 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 6.6 tp10 -67.46 -39.14 85.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.523 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.9 mt -57.91 -43.83 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -56.62 -42.35 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.976 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.574 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 30.1 ttm180 -63.1 -45.36 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.627 HE21 HG21 ' B' ' 432' ' ' VAL . 14.9 mm100 -74.61 -37.2 62.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.993 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.496 ' HG2' HD23 ' B' ' 436' ' ' LEU . 70.1 mt-10 -65.45 -35.42 80.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.102 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.96 -50.27 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.506 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.561 ' HB2' HG23 ' B' ' 432' ' ' VAL . 85.1 mt -57.68 -47.69 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.426 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.8 -49.05 76.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.195 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -60.25 -50.6 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.172 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 38.5 m -61.01 -46.02 92.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 53.0 mt -60.0 -44.05 94.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 0.0 110.733 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.9 m170 -59.84 -48.97 79.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.031 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 414' ' ' ARG . 40.0 mtp180 -67.34 -36.25 81.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.662 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.08 -45.74 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.533 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.807 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 33.8 mt -75.15 -34.35 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.122 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 3.4 mt-30 -68.05 -9.84 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.32 -12.44 83.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.905 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.43 -1.52 25.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.619 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.807 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 38.7 mt -108.74 143.33 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.542 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 45.3 pttt -155.4 169.05 25.14 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.583 0.706 . . . . 0.0 110.962 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.576 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 26.8 t70 -147.63 170.07 18.3 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.14 -33.94 75.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.118 0.485 . . . . 0.0 109.791 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.2 m -63.55 -33.87 76.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.585 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.576 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 53.5 mmtt -64.06 -54.45 33.92 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.431 0.634 . . . . 0.0 110.843 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.46 -36.88 85.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.706 -174.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.0 mm-40 -66.77 -50.01 64.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.21 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.566 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 22.8 mmt180 -61.28 -34.69 75.6 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.172 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.475 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.6 mt -55.08 -56.26 21.86 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.587 0.555 . . . . 0.0 110.787 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.647 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 35.6 m95 -61.11 -35.86 78.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.963 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.566 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 49.2 mt-10 -64.86 -56.59 12.47 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.368 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.627 HG21 HE21 ' B' ' 405' ' ' GLN . 6.0 p -64.98 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 110.055 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -55.26 -55.37 32.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.162 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.769 HH22 HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.12 -27.2 63.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -177.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' B' ' 432' ' ' VAL . 83.0 mt -66.58 -47.8 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.517 ' O ' ' HD3' ' B' ' 440' ' ' LYS . 34.9 tp -58.51 -44.4 89.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.459 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.8 t -70.57 -38.23 74.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -176.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.566 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.58 -35.34 78.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.307 0.575 . . . . 0.0 109.497 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.588 HD11 ' HD3' ' B' ' 442' ' ' LYS . 36.5 tp -68.91 -35.15 76.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.414 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' B' ' 436' ' ' LEU . 4.9 mptp? -60.68 -34.97 75.12 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.491 0.662 . . . . 0.0 109.744 171.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.7 tmt_? -65.83 -41.05 92.28 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.661 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 26.3 mtpp -59.83 -30.68 69.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.924 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.22 -41.26 94.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.361 0.6 . . . . 0.0 109.755 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.94 -1.9 53.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.666 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.661 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 43.8 tt0 -94.15 -26.43 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.974 -175.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.582 -179.802 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.505 ' C4 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.508 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.55 -40.7 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.795 0.297 . . . . 0.0 111.508 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -170.46 175.7 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -81.09 95.03 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.225 0.536 . . . . 0.0 109.84 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 180' ' ' LYS . 68.7 mt -98.72 -5.68 31.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.444 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -93.26 -2.77 54.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.474 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.07 134.31 55.09 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.819 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.619 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 62.7 m-70 -137.27 132.21 33.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.493 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -114.15 110.17 19.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.589 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.67 156.94 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.956 0.408 . . . . 0.0 111.533 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD13 ' CE1' ' A' ' 89' ' ' PHE . 53.9 mt -130.33 135.13 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.86 121.12 33.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.946 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG22 HD22 ' A' ' 91' ' ' LEU . 34.2 m -119.48 170.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.743 0.306 . . . . 0.0 111.02 -178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.496 ' HA3' HG23 ' A' ' 25' ' ' VAL . . . 154.49 -178.94 30.99 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 p -83.28 -15.35 50.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.656 0.741 . . . . 0.0 110.341 -175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.08 -55.42 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.757 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 43.73 2.98 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 121.187 0.326 . . . . 0.0 112.38 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG23 ' HA3' ' A' ' 21' ' ' GLY . 28.2 m -117.18 -5.91 11.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.46 -0.435 . . . . 0.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 43.2 45.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.461 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -56.42 -53.81 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.457 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -71.71 -21.46 61.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.571 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -43.44 73.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.165 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 HG11 ' A' ' 165' ' ' VAL . 92.9 mt -73.42 -35.73 65.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.245 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 39.9 p -72.53 -42.91 64.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -53.09 -46.81 68.81 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.234 175.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.21 -33.94 76.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.568 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.66 -40.74 84.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.535 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 39.7 ttm -82.3 -51.79 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.38 -4.88 28.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -170.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.17 22.52 13.2 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.102 0.477 . . . . 0.0 111.221 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.62 161.98 35.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.633 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.4 147.19 29.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.6 p -60.41 110.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 0.0 111.588 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.25 -56.15 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.221 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -136.38 106.61 6.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.72 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -175.45 91.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 44.3 mt-10 -81.44 -60.81 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.864 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -72.05 142.99 39.46 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.703 1.602 . . . . 0.0 112.556 -173.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -154.41 44.29 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.423 171.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 78' ' ' ILE . 49.9 mtmt -85.87 -47.78 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB2' HD22 ' B' ' 409' ' ' LEU . . . -120.19 16.31 12.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.797 0.808 . . . . 0.0 109.399 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 5.3 m-20 -86.34 88.28 7.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.682 -172.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 4.1 t -91.34 137.15 32.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.006 169.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -132.95 103.9 6.29 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.301 0.572 . . . . 0.0 109.932 177.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -77.16 120.24 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.26 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 55.9 tptt -104.87 122.65 46.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.676 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -88.97 125.64 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.878 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 HG12 ' HG3' ' A' ' 53' ' ' LYS . 19.5 m -129.3 142.84 42.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.6 p -100.72 114.94 41.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.7 0.762 . . . . 0.0 110.21 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 59' ' ' GLY . 81.5 mt -102.49 104.4 14.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.524 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 73.3 -25.15 0.19 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 124.118 0.886 . . . . 0.0 112.385 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 57' ' ' LEU . . . 171.13 -30.82 0.13 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.659 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.41 137.49 33.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -84.66 113.36 21.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.37 0.605 . . . . 0.0 109.486 175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -106.38 138.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.49 -174.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.1 117.87 31.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 110.832 -174.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 tt -111.23 129.3 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.477 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -90.63 123.26 34.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.172 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -108.33 112.41 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.84 0.352 . . . . 0.0 110.52 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' CH2' ' B' ' 430' ' ' TRP . 11.0 mt -105.34 123.08 47.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.603 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -102.13 148.06 25.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.843 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 p -114.92 148.22 38.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.885 0.374 . . . . 0.0 111.294 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.48 164.54 18.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.95 53.64 0.74 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.725 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.76 171.83 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.907 0.384 . . . . 0.0 111.329 -177.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -14.15 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -53.56 -65.52 0.55 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.831 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' HB3' HD13 ' A' ' 78' ' ' ILE . 71.3 m-85 -77.91 71.46 4.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.35 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.426 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -62.02 -23.61 66.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.083 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.1 -7.02 51.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.652 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 47' ' ' LYS . 68.1 mt -110.03 -31.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.97 0.414 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 2.7 ptm180 -91.67 -64.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.491 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.97 -51.75 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.397 . . . . 0.0 111.04 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.587 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.4 m-20 -70.08 -18.29 63.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.999 -172.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.2 m-30 -83.11 -26.34 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.525 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 19.7 m-30 -61.62 -24.03 66.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HG3' ' OE2' ' B' ' 426' ' ' GLU . 3.9 tmt_? -51.33 -58.34 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.887 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.17 25.67 8.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.117 0.484 . . . . 0.0 110.975 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.73 164.1 30.04 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.609 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.525 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 39.3 mt-10 -119.73 -71.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.345 0.572 . . . . 0.0 110.191 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.43 130.08 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.998 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 18' ' ' ILE . 97.2 m-85 -116.49 117.3 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.159 0.504 . . . . 0.0 111.192 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.8 mt -94.71 106.53 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.922 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.565 HD13 HD21 ' A' ' 123' ' ' LEU . 28.1 mt -86.96 105.39 17.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.34 131.17 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.321 0.582 . . . . 0.0 110.403 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 30.7 p90 -138.28 175.97 9.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.871 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -115.78 145.64 42.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.808 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.532 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -85.05 0.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.283 -174.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.492 ' CG2' HD13 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -97.42 -61.26 1.42 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.357 176.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -70.33 103.89 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.432 0.634 . . . . 0.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.9 -28.49 68.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.565 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -64.6 -27.62 69.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -75.88 -34.94 60.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.393 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -73.87 -32.98 63.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 110.609 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.9 63.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.151 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.4 p -57.85 -43.2 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.65 -33.6 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.65 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.02 -40.89 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.387 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -58.4 -45.69 87.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.05 0.452 . . . . 0.0 110.049 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -54.98 -52.97 61.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.18 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.62 -31.61 71.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.39 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -39.36 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.471 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.375 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.95 -26.34 64.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.178 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 113' ' ' ARG . 23.5 ttt180 -62.91 -36.4 83.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.5 m -93.96 3.17 8.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.214 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.525 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 49.9 mttm -128.24 -90.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.73 0.44 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -110.94 75.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.684 0.754 . . . . 0.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.488 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 9.9 pt-20 -143.13 -164.82 1.93 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.252 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.482 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -67.01 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.775 0.261 . . . . 0.0 111.145 -172.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.903 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.8 mmmt -141.96 149.96 40.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.5 mt -119.52 93.21 47.11 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.786 0.326 . . . . 0.0 110.292 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.537 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 72.4 Cg_endo -84.38 121.24 2.61 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.211 2.607 . . . . 0.0 113.095 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.565 HD21 HD13 ' A' ' 91' ' ' LEU . 6.7 mp -116.27 157.91 24.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.669 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.452 HD21 ' N ' ' A' ' 125' ' ' VAL . 5.2 tt -147.76 132.09 17.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.46 HG22 HG21 ' A' ' 152' ' ' VAL . 17.8 t -98.11 121.34 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.239 0.543 . . . . 0.0 110.943 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.92 124.13 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.568 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.76 103.73 2.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.676 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.8 t30 -98.08 170.08 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 69.85 18.61 7.32 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.588 0.555 . . . . 0.0 110.773 -174.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.408 ' HB3' ' HG ' ' A' ' 158' ' ' SER . 14.6 t -61.16 -13.52 18.4 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.358 0.599 . . . . 0.0 110.06 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 158' ' ' SER . 1.6 m-20 -63.84 -19.18 64.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.938 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.492 HD13 ' CG2' ' A' ' 96' ' ' THR . 29.9 mt -72.47 -55.19 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.493 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 65.75 -73.54 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.778 0.674 . . . . 0.0 112.203 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.55 -28.76 65.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.784 0.326 . . . . 0.0 111.421 -175.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 44.9 mtp180 -86.22 4.5 38.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.311 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -58.35 113.58 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -95.96 -22.78 17.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.06 117.16 52.41 Favored Pre-proline 0 C--N 1.322 -0.598 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.178 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.17 126.2 21.72 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -59.82 -24.78 30.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.616 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.579 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.68 -43.91 62.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.514 0.673 . . . . 0.0 110.184 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.92 79.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.954 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 12.7 mtp85 -71.71 -32.2 67.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.2 t -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 30.2 mmtp -68.11 -33.89 75.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.627 0.251 . . . . 0.0 111.147 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.93 -44.6 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 110.092 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -64.99 -32.71 74.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.241 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.94 -45.99 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.27 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -84.39 -26.19 28.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.15 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.47 36.18 3.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.985 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.46 HG21 HG22 ' A' ' 125' ' ' VAL . 29.3 m -129.77 -178.96 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-O 120.617 0.246 . . . . 0.0 110.51 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -107.81 141.7 38.99 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.468 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 92.5 t80 -104.16 119.88 39.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.463 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.71 131.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.707 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -85.7 115.77 23.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.884 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.55 ' HA ' ' O ' ' A' ' 163' ' ' ALA . 31.9 p -115.51 129.74 56.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 111.715 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.418 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 11.4 m -112.2 111.25 22.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.943 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.822 ' HB1' HN21 ' A' ' 500' ' ' GNP . . . -84.02 -7.87 59.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -171.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -92.85 -4.0 53.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.1 t -144.25 -1.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.311 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 59.36 84.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 157' ' ' THR . . . -120.36 107.81 13.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.174 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 64.64 17.88 11.13 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.735 0.647 . . . . 0.0 111.858 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.444 HG11 HD22 ' A' ' 30' ' ' LEU . 91.8 t -62.55 -52.12 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.83 -19.96 59.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.786 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 61.9 tttp -60.18 -47.73 84.7 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.276 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.9 m -60.07 -29.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -75.52 -54.17 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.863 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.52 -38.71 90.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 111.368 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.8 OUTLIER -63.66 -51.05 66.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.467 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -67.38 -29.86 69.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.408 ' SD ' HD13 ' A' ' 57' ' ' LEU . 20.2 ttm -64.77 -33.97 77.23 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -67.12 -44.78 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.6 mt-10 -62.63 -31.81 72.73 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.619 ' HB ' ' HD1' ' A' ' 15' ' ' HIS . 74.6 mt -59.09 -30.72 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.535 0.207 . . . . 0.0 110.986 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -64.2 -42.66 96.52 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 m -66.95 -35.43 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.305 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.903 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.4 mptt -68.08 -31.79 71.66 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.404 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 63.5 mmtt -72.05 -34.06 68.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.458 . . . . 0.0 110.056 174.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.1 mtm -85.84 -1.76 57.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 -176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.1 m 65.8 -168.76 0.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.558 0.536 . . . . 0.0 110.921 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.42 -40.81 75.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.867 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 62.71 17.49 9.84 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.899 0.857 . . . . 0.0 109.693 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -175.861 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.685 ' HB2' ' HB3' ' B' ' 396' ' ' ALA . 14.8 p -157.79 -79.35 0.07 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.658 0.229 . . . . 0.0 110.912 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 54.67 -95.39 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.191 0.596 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 20.6 m -75.72 -35.8 60.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.069 0.461 . . . . 0.0 109.929 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.99 -27.13 68.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' B' ' 392' ' ' SER . . . -57.82 -53.25 60.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.309 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.45 96.41 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.038 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.571 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.5 mm -60.42 -52.64 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.367 0.127 . . . . 0.0 110.953 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.89 -42.64 90.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.65 0.262 . . . . 0.0 111.536 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.424 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.1 mm-40 -66.44 -39.99 89.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.567 ' HB3' HD21 ' B' ' 439' ' ' LEU . 1.8 tp10 -67.7 -35.04 78.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.059 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.571 HG13 ' O ' ' B' ' 398' ' ' ILE . 79.2 mt -61.74 -52.41 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.424 HH21 ' CD ' ' B' ' 400' ' ' GLU . 62.0 mtm180 -61.77 -29.96 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.669 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' B' ' 401' ' ' GLU . 73.2 ttt180 -63.45 -49.77 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.643 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.431 ' NE2' HG21 ' B' ' 432' ' ' VAL . 13.3 mm100 -71.89 -33.82 68.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.83 -44.7 93.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.71 -48.09 80.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.17 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.666 ' HB2' HG23 ' B' ' 432' ' ' VAL . 44.2 mt -59.83 -51.39 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.507 HD22 ' HB2' ' A' ' 48' ' ' ALA . 21.2 tp -62.67 -46.72 86.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.516 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -56.92 -48.72 77.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.421 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.44 -54.53 45.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 65.9 mt -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.89 -44.09 91.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.03 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -77.18 -44.63 29.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.643 0.259 . . . . 0.0 111.326 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.554 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.686 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 42.9 mt -71.04 -26.22 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -64.5 -19.14 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.115 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.17 88.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.462 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.54 -15.39 53.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.975 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.686 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.1 mt -86.22 124.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.57 ' HA ' HD21 ' B' ' 416' ' ' LEU . 24.4 pttm -148.01 152.59 37.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.046 0.451 . . . . 0.0 110.305 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.481 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.2 t70 -148.37 162.01 40.42 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.37 -28.03 68.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.907 0.384 . . . . 0.0 110.829 -178.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 18.5 p -63.5 -35.63 81.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.137 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.2 mmtt -73.31 -47.89 38.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.558 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.503 ' OE2' ' HG3' ' A' ' 84' ' ' ARG . 31.1 mt-10 -60.83 -47.42 86.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.281 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.33 -34.79 70.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.494 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.8 tpt180 -64.96 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.907 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.583 HD13 HD13 ' B' ' 416' ' ' LEU . 15.9 mt -56.54 -57.73 11.07 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.923 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.565 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 36.2 m95 -64.55 -31.55 72.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.501 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 38.1 tt0 -67.29 -56.33 10.22 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.666 HG23 ' HB2' ' B' ' 408' ' ' LEU . 9.9 p -63.78 -32.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.314 0.578 . . . . 0.0 109.678 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.421 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 24.3 tp60 -56.45 -57.74 10.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.806 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -63.36 -27.96 69.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.278 -176.459 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.9 mt -70.6 -49.77 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.441 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 33.0 tp -58.27 -39.53 79.46 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.425 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.1 t -71.47 -42.53 68.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.647 -177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.26 -34.5 78.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.379 0.609 . . . . 0.0 109.634 176.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' B' ' 401' ' ' GLU . 21.9 tp -69.24 -32.57 71.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.03 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 34.7 mmtp -60.75 -37.02 80.39 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.432 0.634 . . . . 0.0 109.575 171.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 4.6 tmt_? -63.78 -40.61 97.09 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.65 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 20.2 mtpp -64.67 -27.67 69.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.957 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.416 ' HA ' HG22 ' B' ' 398' ' ' ILE . 40.8 tp -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -83.71 -1.67 54.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.046 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.65 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 31.2 tt0 -85.81 -54.27 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.884 -177.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.933 -176.641 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.822 HN21 ' HB1' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 112.019 -0.433 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -133.34 -168.68 2.14 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -65.19 157.66 28.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -62.61 95.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.92 -27.2 33.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.206 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -83.56 18.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.138 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' ' HE3' ' A' ' 180' ' ' LYS . 62.6 tp -130.78 129.57 42.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.76 148.92 46.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.569 0.223 . . . . 0.0 110.837 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -118.94 119.55 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.005 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -125.09 123.78 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HD12 ' CE1' ' A' ' 89' ' ' PHE . 66.4 mt -109.51 129.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mmm -87.31 101.54 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.802 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.68 139.41 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.108 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.66 146.4 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.917 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.572 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 7.7 t -80.53 94.02 6.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 95.53 -72.08 0.94 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.56 105.72 0.33 Allowed Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.086 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' HA ' ' A' ' 93' ' ' PHE . 60.4 t -74.56 -75.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.889 0.375 . . . . 0.0 110.298 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.678 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . -158.48 33.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.948 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 17.0 pttp -79.29 -8.81 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -79.06 -29.58 43.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.087 0.47 . . . . 0.0 110.26 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.07 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.038 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.83 -45.91 88.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.427 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.45 HG23 HG22 ' A' ' 66' ' ' ILE . 36.2 p -76.52 -39.23 53.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.469 -175.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 ' HB ' ' A' ' 40' ' ' VAL . 21.9 tp -55.24 -41.05 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 110.843 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.75 -30.81 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -72.3 -49.18 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.627 ' SD ' HD13 ' A' ' 66' ' ' ILE . 3.8 mpp? -70.4 -45.98 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 96.9 m-85 -96.46 -88.85 0.27 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.648 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 34.6 t70 168.6 -30.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.077 0.465 . . . . 0.0 111.27 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.56 150.51 20.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.211 0.529 . . . . 0.0 111.498 -171.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -76.1 138.76 40.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.415 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' HB ' HD22 ' A' ' 32' ' ' LEU . 7.1 p -67.18 119.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.513 0.673 . . . . 0.0 111.509 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -94.01 -48.43 6.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.145 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -145.76 136.0 23.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.162 171.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -171.26 91.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.495 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 15.2 mm-40 -66.66 -56.88 13.32 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -167.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 51.2 Cg_exo -51.59 -93.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 122.771 2.314 . . . . 0.0 114.664 -168.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.727 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 18.0 p 48.84 34.32 5.23 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -86.36 -47.43 9.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.353 0.597 . . . . 0.0 109.415 171.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.5 12.88 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.727 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.3 m-20 -73.33 93.75 1.95 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.923 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 18.9 m -108.87 174.51 5.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.51 -0.768 . . . . 0.0 108.94 176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 13.0 t80 -156.1 140.05 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -99.78 112.42 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.609 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 58.6 tptt -109.84 140.6 43.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.308 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 9.0 ttmt -109.55 127.59 54.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.43 149.25 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.449 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.488 HG22 ' C ' ' A' ' 60' ' ' GLU . 3.6 p -120.27 138.77 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.075 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 44.1 mt -139.23 124.25 18.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.555 169.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.533 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 6.5 t70 83.12 -49.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.169 0.918 . . . . 0.0 112.9 175.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.66 -71.61 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 118.874 -1.631 . . . . 0.0 114.841 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.488 ' C ' HG22 ' A' ' 56' ' ' VAL . 8.7 pt-20 -92.55 139.48 30.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.82 0.31 . . . . 0.0 110.908 -170.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.9 mt-10 -71.21 124.45 24.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.439 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -106.6 140.77 23.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 -173.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -113.1 124.08 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.201 0.524 . . . . 0.0 109.964 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.571 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.6 tt -123.54 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.34 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.74 117.63 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.627 HD13 ' SD ' ' A' ' 35' ' ' MET . 30.1 mt -107.74 131.32 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.4 121.18 40.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.217 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.454 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 35.2 t0 -99.35 108.14 20.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -82.65 142.43 31.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.4 113.8 14.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -83.38 71.37 3.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.514 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -139.13 171.41 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.828 0.347 . . . . 0.0 110.813 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.0 5.15 47.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.2 m-20 -86.17 -82.88 0.19 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.439 0.638 . . . . 0.0 111.062 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -78.63 78.78 5.07 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.325 -174.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.12 -16.81 63.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.087 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.88 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -70.18 -13.19 62.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.01 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.561 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 68.6 mt -99.31 -37.49 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.437 ' NH2' ' HG2' ' A' ' 110' ' ' GLN . 4.0 ttp180 -87.15 -68.01 0.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.135 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.32 -42.57 30.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.702 -172.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.88 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.0 m-20 -70.41 -17.66 63.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.603 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 6.2 m-85 -87.74 -20.64 25.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -63.16 -26.65 68.91 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 86' ' ' GLY . 16.4 mmm180 -57.31 -66.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -75.93 25.93 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 84' ' ' ARG . . . -95.99 144.4 17.25 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.165 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 59.9 mt-10 -101.8 -70.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.13 143.08 15.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.027 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CE1' HD12 ' A' ' 18' ' ' ILE . 89.4 m-85 -126.02 127.44 45.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.407 . . . . 0.0 111.004 -176.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.77 115.36 30.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.702 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD13 HG23 ' A' ' 125' ' ' VAL . 83.8 mt -88.77 107.49 18.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 128' ' ' ASN . 97.8 t -99.51 118.28 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.311 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.639 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 10.4 p90 -144.95 154.15 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.075 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.6 p -100.56 147.28 26.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.566 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -86.99 6.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.57 HG21 HD22 ' A' ' 132' ' ' LEU . 17.4 p -86.46 -49.88 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.379 0.609 . . . . 0.0 109.438 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.59 102.97 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.144 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -68.5 -18.78 64.46 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.533 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -65.37 -28.75 69.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 0.0 110.484 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.639 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 42.3 m -67.4 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 0.0 110.298 176.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.3 t80 -78.65 -24.93 44.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.174 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -39.51 29.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.337 0.589 . . . . 0.0 109.845 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.66 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.844 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.633 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 1.2 p -63.58 -28.78 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.471 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.22 85.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.458 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.93 -44.98 94.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.98 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 7.4 m-85 -58.93 -50.98 71.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.082 0.468 . . . . 0.0 109.968 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.14 -46.02 83.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.432 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.04 -33.92 74.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.731 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HG2' ' NH2' ' A' ' 79' ' ' ARG . 5.7 tp-100 -67.66 -36.2 80.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 107' ' ' PHE . 84.4 mt -64.08 -45.24 97.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.137 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -76.3 -38.49 56.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.499 HG21 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -93.18 -4.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.784 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HG3' HG21 ' A' ' 114' ' ' VAL . 54.8 mttm -130.98 -69.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.997 0.427 . . . . 0.0 111.444 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 59.59 79.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.816 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.77 41.13 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.386 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.7 -45.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.679 0.275 . . . . 0.0 110.682 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.03 -90.35 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.581 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 37.5 mmtm -151.94 125.54 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.4 mt -112.09 97.86 40.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.417 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 93.2 Cg_endo -86.91 116.74 1.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.745 2.297 . . . . 0.0 112.523 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.546 ' HB2' HG13 ' A' ' 152' ' ' VAL . 7.2 mp -111.73 150.61 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.175 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD12 ' HG3' ' A' ' 153' ' ' GLN . 1.0 OUTLIER -136.86 113.54 10.26 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.437 HG23 HD13 ' A' ' 91' ' ' LEU . 20.7 t -81.11 118.65 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.275 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.14 109.89 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.402 -173.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.4 91.7 0.65 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.439 ' HB2' HG12 ' A' ' 92' ' ' VAL . 3.8 t-20 -89.24 142.95 27.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.608 ' HG3' HD21 ' A' ' 132' ' ' LEU . 23.7 tptm 68.28 67.41 0.33 Allowed 'General case' 0 C--O 1.221 -0.431 0 O-C-N 123.909 0.755 . . . . 0.0 109.73 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -101.69 8.05 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.793 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.33 14.99 3.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.548 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -95.61 -56.53 2.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.975 176.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.404 ' N ' HD13 ' A' ' 132' ' ' LEU . 12.7 tt0 62.12 -66.4 0.08 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.252 1.021 . . . . 0.0 112.87 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.65 -14.31 50.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 112.016 -175.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 5.0 mpt_? -110.76 21.26 16.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.57 114.5 10.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -114.03 -3.36 13.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 111.157 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' A' ' 95' ' ' ILE . 83.1 t -108.44 108.1 60.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.93 122.08 11.02 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.211 1.941 . . . . 0.0 111.008 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.431 ' HA ' ' HB2' ' A' ' 143' ' ' ALA . 1.4 t -58.98 -21.82 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.43 -55.14 37.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.51 -33.63 60.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . . . -57.54 -48.66 78.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.014 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -69.59 -39.74 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.076 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.6 t -55.36 -35.97 65.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.661 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.6 mmtt -68.31 -34.34 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.422 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 154' ' ' TYR . . . -64.29 -43.92 93.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 176.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.94 -29.85 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.03 -40.22 94.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.499 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -95.89 2.89 53.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 69.11 34.02 75.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.65 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 123' ' ' LEU . 34.0 m -120.53 -167.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.733 ' HG3' HD12 ' A' ' 124' ' ' LEU . 11.6 pt20 -116.35 162.04 18.12 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.319 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.479 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 82.1 t80 -132.18 119.03 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.705 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.91 132.58 67.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.011 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.95 146.17 26.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -133.21 130.3 38.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.362 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.9 m -116.59 95.08 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -67.51 -22.56 65.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.485 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 26.2 tptp -64.19 -14.03 52.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 t -144.03 10.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.466 0.651 . . . . 0.0 109.919 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 53.76 61.15 3.23 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.41 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.63 114.67 28.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.567 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 66.86 12.8 9.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.88 0.738 . . . . 0.0 112.015 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.92 -45.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.371 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.81 -33.66 62.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.17 -51.04 69.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.283 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.86 -31.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.435 ' CZ ' HG22 ' A' ' 31' ' ' THR . 93.8 m-85 -75.29 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.653 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -60.56 -37.44 81.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.396 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -51.11 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.4 tp -67.34 -36.14 80.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.24 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.571 ' SD ' HD13 ' A' ' 64' ' ' ILE . 59.1 mtp -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.74 -41.72 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.818 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.475 ' HB3' ' HZ2' ' A' ' 179' ' ' LYS . 25.1 mt-10 -59.17 -39.54 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.481 177.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 172' ' ' LEU . 57.7 mt -58.1 -29.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.456 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -61.54 -49.29 77.27 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.34 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.3 m -63.0 -36.58 84.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.669 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.581 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 14.4 mptt -61.58 -42.87 99.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.522 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' A' ' 14' ' ' LEU . 68.9 mttm -69.24 -36.02 76.73 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.018 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.0 mtt -70.93 -22.27 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.236 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 5.7 t 65.8 -165.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.204 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.656 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 8.3 tp10 -157.28 142.07 16.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -158.34 9.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.19 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.656 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 25.2 pttm . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.462 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 49.2 m 59.51 32.46 21.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 111.273 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.74 -49.02 67.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.478 ' O ' HG12 ' B' ' 398' ' ' ILE . 74.2 m -74.73 -28.36 60.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.944 177.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.16 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.92 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.11 0.481 . . . . 0.0 110.84 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.18 -35.78 91.38 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.022 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.493 ' O ' HG13 ' B' ' 402' ' ' ILE . 40.3 mm -57.04 -49.59 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.681 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.2 -42.36 86.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -63.94 -46.5 84.45 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.46 -44.49 96.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.399 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.677 HG12 ' HB3' ' B' ' 439' ' ' LEU . 91.8 mt -53.66 -54.76 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.061 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -65.02 -30.21 71.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 61.9 ttt180 -62.27 -47.83 82.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.924 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.516 ' OE1' HG21 ' B' ' 432' ' ' VAL . 83.1 mm-40 -76.47 -31.45 57.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 61.9 mt-10 -59.98 -42.17 93.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.77 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.521 ' HB2' HG23 ' B' ' 432' ' ' VAL . 38.4 mt -62.87 -52.41 63.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.435 HD11 HG12 ' B' ' 432' ' ' VAL . 16.0 tp -60.61 -41.28 94.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.424 0.63 . . . . 0.0 109.968 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -55.69 -46.92 77.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.67 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.8 t -60.46 -55.43 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.429 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.476 HD22 ' O ' ' B' ' 408' ' ' LEU . 4.0 mm? -54.59 -40.08 68.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 178.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -63.66 -40.16 96.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.157 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.64 -46.97 28.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 111.133 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.23 -47.17 85.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.574 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' B' ' 425' ' ' LYS . 7.0 mp -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -61.86 -19.74 62.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.333 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.41 2.17 78.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.686 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.98 28.04 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.027 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 46.7 mt -95.42 116.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -128.16 143.08 51.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.777 0.799 . . . . 0.0 112.097 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.3 t70 -150.11 171.44 16.88 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 171.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.481 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 7.6 mp -71.74 -29.68 64.78 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 14.0 m -65.29 -38.25 89.65 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.022 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.658 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -64.46 -38.39 90.86 Favored 'General case' 0 C--N 1.342 0.239 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.105 -172.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.658 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 pt-20 -73.89 -37.13 64.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.6 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 52.4 mt-10 -62.52 -42.23 99.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.692 ' O ' HG13 ' B' ' 432' ' ' VAL . 37.7 mmt180 -61.05 -50.91 71.42 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.016 174.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.603 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.7 mt -56.31 -57.01 14.06 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.172 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.665 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 70.9 m95 -60.63 -35.47 76.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.376 0.423 . . . . 0.0 111.257 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 6.6 tp10 -72.81 -55.81 6.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.449 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.692 HG13 ' O ' ' B' ' 428' ' ' ARG . 3.3 p -62.29 -33.03 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.162 0.506 . . . . 0.0 110.273 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -55.12 -54.6 41.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.481 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.665 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.32 -27.5 63.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -177.063 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.555 HD13 ' HA ' ' B' ' 432' ' ' VAL . 68.6 mt -67.44 -48.22 78.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.954 0.407 . . . . 0.0 109.974 175.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD21 ' HG2' ' B' ' 406' ' ' GLU . 32.0 tp -59.35 -43.56 92.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.433 HG21 ' HA ' ' B' ' 434' ' ' ARG . 9.7 t -67.2 -34.35 77.3 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.867 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.677 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.8 mp -63.04 -40.31 97.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.627 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -58.36 -43.18 88.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 109.912 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -64.89 -43.43 92.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.819 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 13.9 mmmm -58.37 -33.87 70.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.496 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.558 ' HB2' HD12 ' B' ' 402' ' ' ILE . 45.8 tp -68.54 -37.57 80.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.326 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -82.8 -3.94 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.428 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.42 -42.56 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.056 -177.123 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.678 ' O2A' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -111.9 105.96 14.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.914 0.387 . . . . 0.0 110.555 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -160.99 -72.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.99 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -121.46 -14.13 8.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.361 0.601 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt 63.67 21.66 12.79 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.75 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.44 17.15 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.305 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.772 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 tp -124.28 115.49 21.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.605 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.87 132.66 53.79 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.916 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.772 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -100.3 115.31 29.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.26 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 64' ' ' ILE . 89.7 t -109.43 114.15 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.986 0.422 . . . . 0.0 110.968 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.01 124.97 66.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.4 mtt -87.9 106.8 18.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.947 0.403 . . . . 0.0 110.401 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 91' ' ' LEU . 15.2 m -95.84 127.73 47.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 171.99 -28.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.996 -177.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.544 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 5.7 m 77.78 -63.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.843 0.457 . . . . 0.0 110.644 176.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 147.67 48.83 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.19 65.39 4.08 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.184 -1.008 . . . . 0.0 111.236 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 t -71.58 65.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.986 0.898 . . . . 0.0 110.854 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' HA2' " O3'" ' A' ' 500' ' ' GNP . . . 71.5 7.61 64.85 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-N 114.583 -1.189 . . . . 0.0 113.234 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -57.7 -37.82 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' HD13 ' A' ' 32' ' ' LEU . 29.3 m -60.9 -42.76 98.65 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.97 -43.5 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 90.5 mt -58.4 -46.42 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.21 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.52 ' HB ' ' HE1' ' A' ' 35' ' ' MET . 69.4 p -67.1 -40.34 86.87 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.94 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD23 ' HB ' ' A' ' 40' ' ' VAL . 10.1 mp -66.38 -33.74 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.285 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 76.2 mm-40 -57.77 -43.66 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.0 110.698 175.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.11 -50.88 14.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.874 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.52 ' HE1' ' HB ' ' A' ' 31' ' ' THR . 67.8 mtm -78.06 -43.21 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.497 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 5.3 m-85 -95.67 -18.03 20.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.375 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.6 m-20 70.1 9.73 7.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.667 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.51 169.97 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.181 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.94 149.74 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.679 ' HB ' HD23 ' A' ' 32' ' ' LEU . 3.6 p -74.05 102.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.495 0.664 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.79 -45.27 8.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.486 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -145.61 96.03 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.182 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.418 ' HB3' HG23 ' A' ' 40' ' ' VAL . 48.7 t80 -164.63 92.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.009 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.0 mt-10 -76.29 -57.75 1.32 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.229 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 14.9 Cg_endo -55.28 109.57 0.43 Allowed 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.628 2.219 . . . . 0.0 113.347 -173.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.425 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -151.29 48.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.759 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -87.11 -60.16 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 0.0 110.218 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.65 20.81 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.342 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.4 m-20 -75.38 83.37 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.645 -172.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.451 ' OG ' HD11 ' A' ' 67' ' ' LEU . 35.0 m -91.16 148.64 22.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.296 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.6 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 29.6 t80 -144.14 158.81 43.5 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 6.0 ptp180 -112.92 138.98 48.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.614 ' HG3' HG11 ' A' ' 55' ' ' VAL . 48.4 tptt -106.08 125.89 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.123 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -79.78 111.23 15.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.614 HG11 ' HG3' ' A' ' 53' ' ' LYS . 14.2 m -137.92 144.88 29.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' GLU . 7.4 p -120.3 128.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.187 0.518 . . . . 0.0 109.681 173.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.21 98.03 5.31 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.97 29.5 19.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.467 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.01 -122.09 0.59 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.361 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 56' ' ' VAL . 14.8 pt-20 -109.4 168.88 9.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -58.76 120.97 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.13 0.49 . . . . 0.0 110.979 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -106.93 147.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.036 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -113.8 117.61 31.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.622 0.725 . . . . 0.0 110.29 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 HD12 HG22 ' A' ' 17' ' ' VAL . 6.5 tt -113.54 113.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 42.9 m-20 -90.44 126.36 35.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.447 HG21 HG22 ' A' ' 31' ' ' THR . 30.4 mm -106.46 112.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD11 ' OG ' ' A' ' 50' ' ' SER . 61.2 tp -82.86 107.16 15.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.236 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -83.57 88.46 7.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 m -79.19 139.66 37.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.244 -173.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.18 135.38 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.865 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -129.69 91.54 0.31 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.838 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.1 pt? -151.91 -171.78 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -175.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.34 2.33 32.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.392 . . . . 0.0 111.369 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.591 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 7.4 m-20 -110.15 -75.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.396 0.617 . . . . 0.0 111.177 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HB2' HD22 ' A' ' 72' ' ' LEU . 98.5 m-85 -79.82 85.48 5.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.418 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 79' ' ' ARG . . . -93.23 -26.25 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.634 176.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -66.92 -20.8 65.97 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG13 ' HB3' ' A' ' 75' ' ' TYR . 10.2 mt -77.19 -30.15 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.564 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -92.76 -65.95 0.96 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.051 178.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.34 -46.92 81.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.149 0.499 . . . . 0.0 111.88 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.97 -17.25 57.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.98 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' OH ' HD12 ' B' ' 409' ' ' LEU . 6.5 m-85 -87.32 -15.14 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 20' ' ' VAL . 19.7 m-85 -63.58 -16.66 61.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.768 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -65.46 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.638 -174.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.523 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.4 m -86.02 36.6 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -170.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.96 143.94 13.6 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.565 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.4 OUTLIER -109.67 -35.39 6.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 117.653 0.727 . . . . 0.0 111.79 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.23 115.23 3.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.421 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -117.56 112.65 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.138 0.494 . . . . 0.0 111.005 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 124' ' ' LEU . 77.7 mt -91.7 109.49 20.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.84 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.543 ' HA ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -79.27 105.88 10.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG11 ' HB ' ' A' ' 126' ' ' VAL . 19.1 m -113.73 132.19 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 112.111 -174.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -152.04 163.28 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.692 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 96' ' ' THR . 18.6 p -102.64 138.91 38.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.5 HG13 ' HE ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.8 15.78 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.351 0.596 . . . . 0.0 111.494 -176.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.619 HG22 ' CD1' ' A' ' 132' ' ' LEU . 15.3 p -122.97 5.93 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.378 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -124.28 102.21 7.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.515 0.674 . . . . 0.0 109.492 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -65.67 -31.53 72.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.288 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.23 -44.69 83.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.95 -176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.1 p -64.83 -26.64 68.42 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.613 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.89 -50.91 45.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.4 m -66.55 -28.22 68.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.383 0.611 . . . . 0.0 110.517 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.26 61.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.306 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.2 p -51.31 -46.74 62.64 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 111.677 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.35 -41.94 84.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -58.09 -47.15 84.1 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.29 -44.11 83.77 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.627 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -65.15 -38.06 89.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.395 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -38.36 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.165 0.507 . . . . 0.0 109.945 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 107' ' ' PHE . 74.8 mt -64.05 -54.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.12 -17.99 65.11 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -66.59 -33.74 76.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.076 0.465 . . . . 0.0 110.755 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.7 HG23 ' HG2' ' A' ' 115' ' ' LYS . 32.9 m -111.02 3.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.244 0.545 . . . . 0.0 110.733 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 12.0 mmmm -136.16 -148.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 77.86 -0.36 2.71 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.179 0.992 . . . . 0.0 111.705 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -111.83 12.78 20.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.101 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.665 ' OE1' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.85 -160.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -175.408 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.6 -73.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 0.0 110.341 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.461 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 16.2 tppt? -168.75 136.41 2.0 Allowed 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 115' ' ' LYS . 85.2 mt -94.47 108.63 37.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.898 0.38 . . . . 0.0 111.217 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.565 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.1 Cg_endo -84.24 125.84 3.59 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.78 2.32 . . . . 0.0 111.601 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.1 144.77 38.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.071 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.689 HD11 ' HG2' ' A' ' 153' ' ' GLN . 5.6 tp -139.11 116.27 11.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 172.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.15 126.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.534 ' HB ' HG11 ' A' ' 92' ' ' VAL . 46.8 t -120.18 132.62 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.29 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.3 113.46 4.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.984 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.4 t-20 -96.21 164.26 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 12.8 mptt 74.13 25.75 1.76 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.764 0.665 . . . . 0.0 111.501 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.8 t -65.83 -9.07 25.55 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.409 0.623 . . . . 0.0 109.895 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.4 -15.12 62.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.042 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.838 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.2 mt -77.2 -45.7 25.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.811 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 63.86 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.178 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.54 -17.45 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.137 0.494 . . . . 0.0 110.91 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.838 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.7 mtp180 -87.34 -0.23 56.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.887 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' HE ' HG13 ' A' ' 95' ' ' ILE . 41.4 ttm180 -53.84 113.85 1.36 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.459 ' H ' ' HA ' ' A' ' 96' ' ' THR . 30.1 mm-40 -91.24 -27.08 18.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.9 p -114.13 122.47 34.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.98 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.12 119.67 6.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 111.246 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.09 -12.03 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.292 0.568 . . . . 0.0 109.893 -176.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -57.54 -46.51 83.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.478 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.76 -14.31 54.7 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.41 -34.36 41.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.218 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.6 mtp180 -66.26 -35.94 81.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.983 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -58.41 -30.92 67.24 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.863 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -65.32 -48.68 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.324 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.08 93.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.08 -37.26 86.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.94 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -45.89 70.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.06 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -77.01 -16.66 59.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.19 32.81 10.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.113 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.57 -179.05 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.595 0.236 . . . . 0.0 110.803 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.689 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.0 pm0 -103.07 163.2 12.36 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.949 0.404 . . . . 0.0 111.31 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -134.43 127.64 31.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.946 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.86 131.41 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.361 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.82 144.03 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.557 ' HB ' HG23 ' A' ' 165' ' ' VAL . 31.1 p -128.18 140.33 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.258 0.552 . . . . 0.0 112.147 -175.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.511 ' HB3' ' HB2' ' A' ' 163' ' ' ALA . 20.7 t -102.34 123.16 45.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.515 172.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.11 -1.77 47.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.685 0.278 . . . . 0.0 111.263 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -92.11 -22.5 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.014 0.435 . . . . 0.0 110.941 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.6 t -130.37 1.01 4.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.456 0.646 . . . . 0.0 109.805 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 56.07 71.71 0.54 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.053 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 158' ' ' SER . . . -116.88 129.39 56.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.929 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 71.17 -4.6 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.871 0.732 . . . . 0.0 111.912 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.557 HG23 ' HB ' ' A' ' 157' ' ' THR . 62.0 t -70.23 -43.61 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.123 -176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -71.29 -23.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -60.04 -56.43 21.79 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.9 m -60.45 -28.84 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 173' ' ' MET . 82.7 m-85 -70.09 -52.1 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.619 0.247 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -69.7 -34.97 74.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.198 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -60.46 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.67 -176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.5 tp -69.62 -34.1 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 53.1 mtm -61.76 -31.54 71.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.353 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -70.98 -33.98 70.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.118 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.39 -38.71 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.552 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.5 mt -55.17 -39.2 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.944 -175.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 177' ' ' ARG . 7.3 ptp180 -71.08 -39.65 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.533 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 25.8 m -71.53 -33.65 69.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.44 -43.66 98.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.235 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 33.3 mmtp -73.7 -40.95 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.57 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.6 mtm -72.13 -28.57 63.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.07 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 14.9 t 62.7 -159.35 0.32 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.502 0.501 . . . . 0.0 109.989 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -86.43 -173.36 4.49 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 65.25 80.94 0.22 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.495 0.664 . . . . 0.0 109.931 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 55.2 mttp . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.043 -178.258 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.493 ' H1 ' ' CD ' ' B' ' 393' ' ' GLU . . . . . . . . 0 N--CA 1.478 1.483 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 8.6 t 76.69 5.82 3.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.311 0.645 . . . . 0.0 111.45 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.493 ' CD ' ' H1 ' ' B' ' 391' ' ' GLY . 33.2 mp0 -62.51 -42.78 99.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.027 0.441 . . . . 0.0 109.935 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.439 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.7 m -69.2 -38.0 78.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.06 -37.16 86.1 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.09 82.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.408 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.95 95.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.908 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' B' ' 443' ' ' LEU . 38.4 mm -60.86 -50.61 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.564 ' HA ' HD11 ' B' ' 402' ' ' ILE . 96.2 mttt -60.49 -34.66 74.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.95 -38.25 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.511 0.196 . . . . 0.0 111.086 175.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 58.7 mt-10 -68.3 -38.82 82.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.245 176.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.623 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.95 -50.37 53.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.516 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 21.9 mmm180 -56.35 -42.34 77.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.962 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.541 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 34.3 ttm180 -59.83 -47.89 83.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.107 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 69.0 mm-40 -71.32 -28.98 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.27 -177.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.516 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 46.5 mt-10 -59.95 -45.17 93.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.31 -46.07 71.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.1 mt -60.15 -47.28 86.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.555 HD12 ' OH ' ' A' ' 82' ' ' TYR . 43.1 tp -69.42 -32.6 71.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.012 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.74 -47.61 82.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.9 t -59.41 -51.85 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' B' ' 429' ' ' LEU . 1.9 mm? -54.05 -46.45 71.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.347 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -57.87 -49.06 77.98 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.135 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -69.68 -38.0 76.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.2 -48.39 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.644 HD11 ' HB3' ' B' ' 425' ' ' LYS . 7.0 mp -68.81 -32.92 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.46 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 2.8 mt-30 -69.34 -9.69 54.5 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.051 0.453 . . . . 0.0 111.012 176.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.17 86.77 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.25 28.14 5.61 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.129 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 53.2 mt -132.52 127.8 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.912 0.356 . . . . 0.0 110.091 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -133.37 152.42 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 0.0 111.367 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.605 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.7 t70 -149.86 161.54 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.318 171.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.4 -32.14 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.716 0.293 . . . . 0.0 111.254 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.63 -33.02 74.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.252 0.549 . . . . 0.0 110.003 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.644 ' HB3' HD11 ' B' ' 416' ' ' LEU . 47.1 mmtt -72.69 -45.44 58.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.927 -176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.56 -43.99 95.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.385 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -63.55 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.55 ' O ' HG22 ' B' ' 432' ' ' VAL . 24.9 tpt180 -70.85 -37.1 73.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.562 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 7.6 mt -59.39 -44.74 92.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.544 0.212 . . . . 0.0 111.396 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.68 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 37.3 m95 -69.34 -32.63 71.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.52 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.618 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -61.84 -55.85 25.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.92 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.55 HG22 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -61.92 -34.65 63.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 121.31 0.576 . . . . 0.0 109.625 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.8 tp60 -55.46 -51.2 67.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.99 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.68 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.73 -25.78 62.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.144 -178.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' B' ' 432' ' ' VAL . 30.3 mt -75.12 -43.95 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.564 177.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.42 -41.08 79.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.112 174.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.625 HG21 ' HA ' ' B' ' 434' ' ' ARG . 6.2 t -77.41 -32.85 55.0 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.596 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.668 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.22 -36.31 83.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.916 HD11 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -64.02 -35.53 81.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.927 176.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -60.2 -37.24 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.256 0.551 . . . . 0.0 109.549 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.83 -43.04 69.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.349 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.916 ' HD3' HD11 ' B' ' 439' ' ' LEU . 48.3 mtpt -58.72 -33.34 70.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.788 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.524 ' HA ' HG22 ' B' ' 398' ' ' ILE . 3.0 tm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -74.1 -22.91 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.652 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -73.32 -33.33 65.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.647 -179.039 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.436 " O3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.924 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -25.09 68.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -149.75 -157.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 t -66.16 85.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.234 0.54 . . . . 0.0 109.9 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt -141.36 -21.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.595 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -94.97 3.39 55.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 111.606 -172.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -129.54 129.53 44.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.308 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' HD1' HD12 ' A' ' 176' ' ' ILE . 58.6 m-70 -132.22 140.58 48.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.637 0.256 . . . . 0.0 110.757 -177.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -119.16 107.58 13.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG22 HD12 ' A' ' 64' ' ' ILE . 30.4 m -115.54 119.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.701 0.762 . . . . 0.0 110.669 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.65 113.39 43.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.3 ttm -84.74 108.62 17.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.354 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.96 170.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.571 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 150.46 166.06 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -85.15 114.34 22.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.175 0.512 . . . . 0.0 110.27 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 78.22 -81.16 1.33 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.779 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -151.73 -54.81 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.345 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 93' ' ' PHE . 15.1 t 56.77 57.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.566 0.698 . . . . 0.0 110.166 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 11.66 65.95 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.284 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.779 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 18.0 ttmm -53.77 -62.91 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.846 0.458 . . . . 0.0 112.132 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.463 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 15.2 m -73.26 -14.85 61.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.412 -172.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.666 ' HB1' HO3' ' A' ' 500' ' ' GNP . . . -72.64 -45.25 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.239 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.5 -40.36 64.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 10.9 p -63.23 -39.48 94.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 111.72 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.67 -35.18 80.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.907 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.794 HE22 ' HA ' ' A' ' 39' ' ' PHE . 74.6 mm-40 -64.62 -42.97 95.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.01 0.434 . . . . 0.0 110.637 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.41 -27.76 66.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.0 mtp -87.2 -60.94 1.84 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.911 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 94.1 m-85 -110.08 -12.54 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 32.3 t70 73.28 2.23 4.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.277 0.56 . . . . 0.0 111.502 177.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.29 145.88 26.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.981 0.42 . . . . 0.0 110.865 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.794 ' HA ' HE22 ' A' ' 33' ' ' GLN . 71.5 t80 -78.25 148.98 33.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.085 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.23 104.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 111.842 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -89.24 -56.38 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.31 94.59 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.014 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -155.81 97.89 1.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.207 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.663 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.4 tp10 -116.42 -49.69 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -173.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 27.2 Cg_endo -61.17 93.14 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.047 1.831 . . . . 0.0 114.173 -173.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.7 p -138.75 72.72 1.41 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.259 0.552 . . . . 0.0 109.594 170.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.31 -59.26 2.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.497 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.602 ' HB2' ' CE1' ' B' ' 413' ' ' HIS . . . -125.79 -14.66 6.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -169.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -84.72 159.34 20.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 t -132.38 147.83 52.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -126.62 152.72 46.29 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.771 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 37.5 ttm180 -120.01 132.74 55.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.482 . . . . 0.0 110.866 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -110.64 129.54 55.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.422 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -97.63 121.27 39.34 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.931 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.82 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.633 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -96.61 115.37 35.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.73 HD23 ' HD3' ' A' ' 174' ' ' ARG . 32.9 tp -104.16 100.18 9.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.727 -173.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 71.71 -21.35 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.889 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.32 -46.87 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.45 146.92 26.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 117.614 0.707 . . . . 0.0 110.928 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 mt-10 -78.87 115.33 18.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.666 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 13' ' ' ALA . 1.8 t -107.27 152.68 8.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.858 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.771 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 49.8 mt-30 -113.27 119.49 37.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.484 . . . . 0.0 110.598 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 17' ' ' VAL . 4.7 tt -119.21 118.1 56.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.44 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.75 126.18 35.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.948 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.45 123.06 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.453 0.644 . . . . 0.0 110.801 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.428 HD21 ' CD2' ' A' ' 82' ' ' TYR . 20.7 tp -106.51 103.84 13.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.069 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' CG ' ' HG ' ' A' ' 28' ' ' SER . 22.0 t70 -84.37 87.04 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.302 0.573 . . . . 0.0 109.481 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -75.2 145.73 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.3 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 120.4 16.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -82.4 61.62 4.69 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.44 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -138.18 173.04 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.575 0.226 . . . . 0.0 110.803 -178.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 79' ' ' ARG . 41.9 mt-10 -94.78 -5.73 44.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.5 m-20 -68.33 -64.44 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 111.476 -178.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' H ' HD13 ' A' ' 72' ' ' LEU . 70.3 m-85 -84.82 78.71 9.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.937 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.02 64.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.875 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.618 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -75.75 -10.07 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.46 . . . . 0.0 111.009 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.653 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 23.2 mt -104.5 -30.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 0.0 109.953 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 73' ' ' GLU . 55.5 ttp180 -90.96 -65.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.146 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.6 -57.46 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.207 0.527 . . . . 0.0 111.652 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.618 HD21 ' HA ' ' A' ' 77' ' ' ALA . 63.7 m-80 -68.89 -17.08 63.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.46 -170.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.653 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -89.1 -6.6 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.073 -0.392 . . . . 0.0 111.929 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.433 ' HB2' HG23 ' A' ' 114' ' ' VAL . 9.1 m-30 -77.73 -24.48 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.968 -176.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.461 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -64.57 -57.62 8.63 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.694 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 24.5 t -81.29 -3.16 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.084 0.468 . . . . 0.0 111.142 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.53 137.62 14.43 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.123 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 4.8 tp10 -133.18 65.0 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.671 0.748 . . . . 0.0 109.057 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . 164.07 111.24 0.25 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -122.71 124.73 44.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.375 0.607 . . . . 0.0 111.569 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 124' ' ' LEU . 88.2 mt -97.07 117.11 30.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.754 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.498 HD11 HD21 ' A' ' 123' ' ' LEU . 46.1 mt -93.36 106.33 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.796 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.0 m -107.01 136.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.041 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.461 ' HA ' HG11 ' A' ' 25' ' ' VAL . 31.6 p90 -145.01 156.34 43.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 176.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -106.65 139.43 41.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.722 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -72.48 -6.39 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.707 -178.029 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.529 ' CG2' HD21 ' A' ' 132' ' ' LEU . 5.7 p -87.56 -39.16 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.04 0.448 . . . . 0.0 110.397 173.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.444 ' CD ' ' HG1' ' A' ' 96' ' ' THR . 5.0 mp0 -94.8 99.93 11.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -65.55 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.7 -52.81 63.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.728 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.9 p -62.78 -30.6 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.3 -46.31 80.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -68.83 -33.67 74.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.8 63.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.457 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 p -55.38 -44.67 76.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 111.536 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -32.87 70.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.743 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -68.44 -39.36 81.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.386 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.1 m-85 -58.31 -46.92 85.22 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.25 -49.56 71.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.048 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.92 -35.32 80.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.736 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.5 mt -64.03 -45.91 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.056 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.8 mp -67.51 -6.92 21.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -78.41 -33.08 48.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.03 0.443 . . . . 0.0 110.447 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.479 HG21 ' HG2' ' A' ' 115' ' ' LYS . 31.2 m -114.55 -6.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.176 -177.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 18.0 mmmt -134.27 116.19 15.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.715 -176.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.81 -67.07 0.4 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.792 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.43 37.5 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.181 0.515 . . . . 0.0 110.779 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.2 -154.39 0.12 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.306 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.05 -80.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.5 mmtm -159.55 125.06 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.7 mt -81.0 109.35 13.17 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-O 120.807 0.337 . . . . 0.0 110.708 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -94.71 119.07 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 123.358 2.706 . . . . 0.0 112.565 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.498 HD21 HD11 ' A' ' 91' ' ' LEU . 5.4 mp -113.8 144.8 42.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.222 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.71 HD11 ' HG2' ' A' ' 153' ' ' GLN . 8.2 tp -136.2 119.79 17.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.776 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.57 116.64 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.156 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.796 ' HB ' HG12 ' A' ' 92' ' ' VAL . 33.7 t -108.96 110.6 32.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.489 -176.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.07 111.18 3.63 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.567 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 5.0 p30 -106.77 168.75 8.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.555 0.217 . . . . 0.0 111.1 -176.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.567 ' HD3' ' OD1' ' A' ' 128' ' ' ASN . 2.5 mptm? 72.83 31.55 1.56 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.958 0.786 . . . . 0.0 111.828 177.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.2 m -65.08 0.1 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.975 -0.453 . . . . 0.0 111.136 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 129' ' ' LYS . 5.1 p-10 -90.17 -0.12 57.46 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.566 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.74 -42.97 10.39 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.596 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 57.52 -77.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.117 0.967 . . . . 0.0 113.223 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.96 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.66 12.41 14.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.727 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.722 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 50.6 ttp180 -65.63 113.94 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 0.0 110.686 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -91.7 -30.43 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.406 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.1 118.57 45.86 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.98 121.26 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 111.418 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -68.08 -15.92 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -173.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.33 -46.93 86.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.591 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.78 -27.47 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.424 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -65.35 -30.3 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.304 0.573 . . . . 0.0 110.593 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 73.5 mtp180 -71.74 -36.95 70.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.285 178.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 23.2 t -78.76 -22.52 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.12 0.962 . . . . 0.0 108.698 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.448 ' HB2' ' HE2' ' A' ' 146' ' ' LYS . 13.8 tppt? -65.46 -46.46 79.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.763 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.604 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -62.36 -36.96 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.084 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 145' ' ' SER . 34.3 tt0 -57.78 -38.78 76.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.334 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.07 -35.45 80.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.115 0.483 . . . . 0.0 110.774 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -88.81 -8.35 54.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.753 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.51 56.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.238 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.604 HG23 ' HB1' ' A' ' 147' ' ' ALA . 30.1 m -116.54 -177.24 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.0 110.963 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.8 pm0 -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.685 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -121.31 124.16 43.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.935 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 28.4 t -125.0 133.5 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -87.98 139.59 30.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.343 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 31.1 p -139.23 131.96 29.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.312 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.7 p -121.66 118.1 28.33 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.26 -10.1 59.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -64.11 -44.82 91.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.978 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.1 t -114.69 3.15 14.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 63.13 81.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.51 0.671 . . . . 0.0 110.643 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -90.57 -143.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.962 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -64.13 45.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.919 0.888 . . . . 0.0 112.21 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG21 ' A' ' 168' ' ' VAL . 60.4 t -68.31 -50.34 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 110.183 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.37 -29.38 70.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.902 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.33 -50.52 71.22 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.86 -175.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -59.91 -25.33 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -75.41 -52.17 11.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.51 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 70.6 m-85 -66.14 -43.14 87.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.16 -49.04 79.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.792 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.4 tp -63.8 -37.81 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.201 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD11 ' A' ' 64' ' ' ILE . 68.9 mtm -63.4 -30.59 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.259 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.73 ' HD3' HD23 ' A' ' 57' ' ' LEU . 8.7 mmm180 -72.76 -37.97 67.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.542 ' HA ' ' OE1' ' A' ' 175' ' ' GLU . 3.9 mm-40 -62.01 -35.91 79.94 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.668 174.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.63 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 78.8 mt -57.41 -48.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.108 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -67.48 -31.95 72.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.526 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 185' ' ' LYS . 17.4 m -57.9 -41.4 82.51 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.299 0.571 . . . . 0.0 109.789 176.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 43.1 mmtt -73.88 -34.39 64.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.551 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 26.1 mmmt -72.7 -41.94 64.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.434 -176.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.3 mtt -80.48 -24.19 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.409 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 11.5 t 71.45 174.84 0.29 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.054 0.846 . . . . 0.0 110.693 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 66.38 122.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.703 0.801 . . . . 0.0 110.728 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.31 17.61 10.84 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.376 -170.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.528 ' HA ' HG21 ' A' ' 178' ' ' THR . 15.6 pttp . . . . . 0 C--O 1.249 1.044 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.796 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.363 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 24.0 t -162.66 -63.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 60.53 -90.33 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.508 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.557 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.2 m -102.02 -22.38 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 -176.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.51 -27.34 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -55.89 -56.94 14.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.313 178.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.67 74.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.08 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.594 ' O ' HG13 ' B' ' 402' ' ' ILE . 48.7 mm -60.38 -55.26 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.576 0.227 . . . . 0.0 110.543 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.31 -41.72 94.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.603 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.4 mt-10 -61.9 -39.77 93.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.709 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.5 ' HB3' HD13 ' B' ' 439' ' ' LEU . 5.1 tp10 -72.13 -40.15 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.641 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.594 HG13 ' O ' ' B' ' 398' ' ' ILE . 69.9 mt -53.87 -47.13 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.39 -46.29 76.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.09 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.47 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 43.7 ttm105 -63.08 -42.49 99.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.881 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.574 ' NE2' HG23 ' B' ' 432' ' ' VAL . 15.3 mm100 -71.97 -35.99 69.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.91 -43.18 98.92 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.29 -49.45 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.658 ' HB2' HG22 ' B' ' 432' ' ' VAL . 92.5 mt -60.4 -44.43 95.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.64 -45.66 91.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.466 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.96 -49.8 72.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.764 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.9 t -61.85 -56.0 23.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.795 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.432 ' O ' HD12 ' B' ' 416' ' ' LEU . 1.9 mm? -54.89 -33.11 61.67 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.461 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.602 ' CE1' ' HB2' ' A' ' 48' ' ' ALA . 4.6 m-70 -73.13 -49.18 29.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.635 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -76.79 -38.37 54.12 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.605 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.9 -46.14 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.007 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.8 mp -70.66 -34.65 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 111.239 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.542 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 3.0 mt-30 -65.94 -10.58 40.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.8 1.67 66.97 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.007 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.24 18.01 35.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.362 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.38 117.53 54.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -135.16 147.21 49.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.652 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.9 t70 -148.34 161.49 41.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -27.47 68.56 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.733 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -66.03 -38.02 87.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.807 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.652 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 52.5 mmtt -68.47 -52.06 36.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.632 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.5 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.15 -43.39 91.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.603 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.3 mmt180 -66.19 -34.86 78.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.199 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.31 -50.98 61.79 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.727 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.694 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 8.1 m95 -67.19 -30.78 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.412 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.779 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 40.4 tt0 -64.33 -55.13 23.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.306 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.658 HG22 ' HB2' ' B' ' 408' ' ' LEU . 2.3 p -62.97 -34.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.108 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.5 -50.94 71.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.622 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.779 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 1.0 OUTLIER -64.52 -29.95 70.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.636 0.255 . . . . 0.0 110.445 -177.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -75.75 -38.94 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.985 0.421 . . . . 0.0 110.294 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -61.73 -45.5 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.8 t -73.2 -30.07 63.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.027 0.441 . . . . 0.0 109.949 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.67 -39.25 80.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.003 174.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.566 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.1 OUTLIER -58.2 -43.48 87.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.671 176.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.99 -33.45 75.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.695 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -67.58 -42.53 82.39 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.577 ' HB3' HD13 ' B' ' 398' ' ' ILE . 14.6 mmmm -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.286 176.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.488 ' HA ' HG23 ' B' ' 398' ' ' ILE . 50.0 tp -62.12 -46.49 88.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 0.0 110.564 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.04 -2.84 56.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.67 -32.36 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.156 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.616 -178.499 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.666 HO3' ' HB1' ' A' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -115.47 15.42 16.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.403 0.62 . . . . 0.0 109.466 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -87.1 159.28 18.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.713 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 m 67.16 16.53 10.24 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -93.09 -16.5 24.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.5 -18.52 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.873 -175.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.95 121.53 33.62 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.482 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -129.39 134.05 47.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.781 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.638 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 11.1 mmpt? -96.74 106.82 19.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.25 108.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.158 0.504 . . . . 0.0 110.5 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.17 122.25 65.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.675 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 ttm -89.57 124.23 34.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG11 ' HZ ' ' A' ' 83' ' ' PHE . 19.0 t -98.5 128.72 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.979 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.64 157.6 10.08 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t -97.14 -90.51 0.26 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.491 0.645 . . . . 0.0 111.003 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.628 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -117.51 -47.84 0.44 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.37 -176.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.49 38.45 1.22 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.442 -0.409 . . . . 0.0 113.016 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.597 ' HB ' HG12 ' A' ' 92' ' ' VAL . 35.8 m -126.88 -19.78 2.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.621 0.248 . . . . 0.0 111.102 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.684 ' HA2' ' O1A' ' A' ' 500' ' ' GNP . . . 58.95 34.17 77.37 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.432 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 23.5 pttm -79.1 -21.72 46.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' HD21 ' A' ' 32' ' ' LEU . 72.4 m -68.61 -34.05 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.018 0.437 . . . . 0.0 110.239 175.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.18 -34.07 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.27 -41.1 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.625 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.6 p -68.77 -32.53 72.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.18 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 3.7 mm? -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.307 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 80.1 mm-40 -60.65 -54.97 38.88 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.171 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -68.98 -24.33 64.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.9 -177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttm -83.1 -52.07 6.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.738 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -120.08 24.67 10.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t70 75.63 -56.55 0.6 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.827 0.704 . . . . 0.0 112.384 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -102.76 -173.97 2.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.326 0.584 . . . . 0.0 112.206 -172.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 58.9 t80 -75.23 138.63 42.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.807 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.597 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.1 p -56.46 130.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.628 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.23 -72.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.737 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.72 87.66 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.298 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -150.5 114.19 4.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.103 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.7 tp10 -102.56 -67.82 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.549 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 37.1 Cg_exo -11.44 -79.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 125.121 3.881 . . . . 0.0 115.119 -161.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 12.2 p 51.64 11.43 0.13 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -88.5 -56.58 3.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.307 0.575 . . . . 0.0 111.444 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -124.24 -10.42 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.972 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -98.73 118.11 34.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 p -133.79 163.0 30.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 80.6 t80 -139.24 130.67 27.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 2.4 ptp180 -82.51 129.7 34.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.473 0.654 . . . . 0.0 111.177 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -101.15 131.43 47.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.252 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 38.1 ttmt -101.85 130.64 48.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 110.351 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.0 m -135.73 166.95 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.4 p -145.7 118.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.663 0.744 . . . . 0.0 111.295 174.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.87 106.09 11.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.063 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.84 67.6 0.61 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.186 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.42 -78.29 0.25 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 115.73 166.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 pt-20 -84.54 131.34 34.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.955 0.377 . . . . 0.0 111.776 -166.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.84 118.24 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 2.1 t -105.65 136.7 38.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 -169.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -113.66 117.9 32.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.104 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 11.5 tt -121.43 121.54 64.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 110.723 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 31.7 m-20 -97.34 125.31 41.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.9 mm -107.74 118.87 56.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.291 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.79 109.87 19.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -77.6 106.31 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' A' ' 79' ' ' ARG . 17.2 p -73.81 108.71 6.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.449 -173.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 124.03 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.12 72.19 0.47 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.36 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 75' ' ' TYR . 1.6 pt? -128.34 -175.18 3.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.6 -30.63 70.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.75 -81.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.732 0.777 . . . . 0.0 110.608 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.485 ' HB2' HD22 ' A' ' 72' ' ' LEU . 86.7 m-85 -82.26 91.12 6.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.45 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.85 -32.76 10.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.479 0.657 . . . . 0.0 109.568 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.772 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.51 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.3 mt -69.75 -22.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.647 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HA ' ' HB ' ' A' ' 69' ' ' THR . 34.6 ttp180 -91.86 -65.11 1.03 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.137 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -58.96 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.775 HD21 ' HB3' ' B' ' 416' ' ' LEU . 93.8 m-20 -57.58 -33.73 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.1 m-85 -68.4 -21.57 64.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' HZ ' HG11 ' A' ' 20' ' ' VAL . 14.9 m-30 -64.54 -21.54 66.72 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.613 ' HB3' ' HG2' ' B' ' 426' ' ' GLU . 3.0 tmm_? -59.75 -50.03 75.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.89 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -89.37 20.98 3.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.918 0.389 . . . . 0.0 111.727 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.13 -170.7 44.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.648 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.484 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 4.2 tp10 -157.92 -67.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 135.37 12.39 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -130.47 134.32 46.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 0.0 111.595 -175.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 124' ' ' LEU . 93.3 mt -103.22 119.64 39.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.657 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.96 107.17 19.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG12 ' HB ' ' A' ' 25' ' ' VAL . 6.5 p -107.78 141.3 23.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.941 0.4 . . . . 0.0 111.048 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -153.54 168.74 25.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.444 175.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 34.2 t -106.14 140.38 39.2 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 130' ' ' SER . 0.2 OUTLIER -78.59 6.35 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.447 0.641 . . . . 0.0 110.855 -178.131 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.853 HG23 HD21 ' A' ' 132' ' ' LEU . 75.7 p -119.88 -22.43 6.78 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.606 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.631 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 1.2 mp0 -94.64 95.28 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.674 175.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.83 -24.52 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.488 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -55.81 -50.22 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.516 0.674 . . . . 0.0 110.027 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -67.28 -35.18 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.351 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.08 -40.32 95.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -70.76 -28.79 64.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.395 0.617 . . . . 0.0 110.648 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.83 -15.29 59.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.224 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -45.6 67.04 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 0.0 111.611 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.41 92.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.52 -38.94 89.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.2 m-85 -57.34 -51.6 68.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 110.248 177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 108' ' ' ARG . 37.5 ttt180 -66.03 -44.23 85.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.744 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.39 -33.89 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.67 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.0 mt -64.64 -48.38 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.315 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 9.7 mp -68.75 -13.18 62.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.766 0.317 . . . . 0.0 111.087 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -78.74 -31.72 46.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' HG2' ' A' ' 115' ' ' LYS . 33.8 m -105.25 -25.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.754 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG2' HG22 ' A' ' 114' ' ' VAL . 21.9 mmmt -98.32 -94.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 112' ' ' LEU . . . 64.18 -71.22 0.07 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.59 34.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 111.228 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 13.6 mm-40 -98.1 -168.57 1.68 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.1 -177.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -79.36 -72.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.546 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 75.3 mmtt -142.75 140.54 31.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.6 mt -109.05 97.22 23.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.787 0.327 . . . . 0.0 110.225 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 17.0 Cg_exo -67.2 121.08 8.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.068 2.512 . . . . 0.0 111.474 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.6 mt -127.29 124.19 38.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.973 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 153' ' ' GLN . 12.7 tp -126.92 118.68 25.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.907 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.59 127.47 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.928 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.38 110.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.585 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.83 114.39 4.26 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.529 HD21 HG22 ' A' ' 92' ' ' VAL . 12.7 m-80 -107.54 158.03 17.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.522 ' HE2' ' C2 ' ' A' ' 500' ' ' GNP . 43.3 tttm 68.55 56.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.892 169.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.582 ' HA ' HD13 ' A' ' 95' ' ' ILE . 16.3 m -76.28 4.34 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.008 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -12.84 61.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.853 HD21 HG23 ' A' ' 96' ' ' THR . 7.0 mp -70.17 -46.14 65.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 62.33 -77.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.016 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.72 -21.16 63.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.175 0.512 . . . . 0.0 110.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.811 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.8 mtp180 -94.67 21.86 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.44 113.17 2.05 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -91.52 -35.74 14.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.194 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.32 126.61 28.09 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.097 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.95 116.64 3.4 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.112 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.583 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -73.17 -13.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.171 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.11 -48.56 78.33 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.478 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.84 -24.45 52.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.88 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.199 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -64.73 -36.24 83.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.366 0.603 . . . . 0.0 109.546 174.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.426 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 22.9 t -66.51 -18.07 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.967 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 7.2 mmpt? -72.33 -40.99 67.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 110.035 175.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.404 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -63.84 -40.92 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.458 0.647 . . . . 0.0 109.464 174.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 27.5 tt0 -58.68 -48.7 80.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.457 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.3 -42.91 92.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.683 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -92.59 -5.56 51.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.485 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.39 41.41 20.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.039 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.62 -170.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.53 0.205 . . . . 0.0 110.591 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.692 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.6 pm0 -106.47 159.55 16.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.881 177.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.404 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 66.3 t80 -129.18 125.41 36.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.649 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.31 121.67 56.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.384 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.08 134.93 33.79 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 40.9 p -138.34 158.16 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.955 0.407 . . . . 0.0 111.548 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -138.49 135.22 34.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.15 3.61 20.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -82.72 -49.6 9.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.5 p -92.96 -18.62 22.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.417 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 65.25 20.81 11.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.438 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.57 122.76 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.401 ' HB2' HG23 ' A' ' 157' ' ' THR . 90.3 m-20 70.39 0.55 3.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.285 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.415 HG21 ' HB ' ' A' ' 157' ' ' THR . 98.1 t -64.92 -49.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.43 -29.06 69.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -57.08 -50.08 73.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.331 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 165' ' ' VAL . 32.1 m -58.74 -27.74 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.95 -49.44 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.017 0.437 . . . . 0.0 110.383 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.98 -47.21 78.36 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.281 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -51.56 69.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.503 ' O ' HG13 ' A' ' 176' ' ' ILE . 28.8 tp -60.48 -42.29 95.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.459 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.8 mtm -61.98 -40.08 94.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.113 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.426 ' HD3' ' HD2' ' A' ' 177' ' ' ARG . 7.0 mmt180 -65.03 -40.86 95.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.793 178.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.65 -42.7 88.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 172' ' ' LEU . 78.5 mt -58.47 -34.84 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.472 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.426 ' HD2' ' HD3' ' A' ' 174' ' ' ARG . 29.3 mtp-105 -60.51 -41.43 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 110.11 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.9 m -63.57 -32.08 73.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.449 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.546 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 2.5 mptp? -69.42 -40.78 77.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.719 0.295 . . . . 0.0 110.702 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -71.36 -35.17 71.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.78 -35.19 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.9 p 60.7 133.46 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.1 1.36 . . . . 0.0 112.078 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -79.99 58.17 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.582 0.706 . . . . 0.0 110.313 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.08 -25.72 9.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.443 179.185 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 31.2 t -79.25 91.39 5.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.0 109.519 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -101.16 -62.62 1.22 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.694 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.428 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m -74.44 -37.62 63.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.134 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 85.9 mt-30 -63.23 -32.48 73.89 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.44 72.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.13 95.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.054 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 394' ' ' THR . 47.6 mm -61.58 -51.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.518 0.199 . . . . 0.0 110.547 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.515 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 98.9 mttt -61.76 -38.79 89.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.454 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.937 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.635 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 17.1 tp10 -67.94 -37.54 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.565 HG12 ' HB3' ' B' ' 439' ' ' LEU . 73.8 mt -53.91 -50.41 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.592 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.0 mtp180 -54.62 -44.01 72.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.255 0.55 . . . . 0.0 110.614 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.635 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 57.8 ttt180 -63.82 -48.71 75.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.435 ' HB2' HD21 ' B' ' 436' ' ' LEU . 80.0 mm-40 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.491 ' HG3' HD23 ' B' ' 436' ' ' LEU . 46.3 mt-10 -63.66 -38.1 89.83 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.62 -48.26 72.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.62 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 87.3 mt -58.56 -47.4 84.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.618 HD21 HG13 ' B' ' 432' ' ' VAL . 2.9 tm? -68.01 -37.14 81.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.144 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.21 -33.1 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.835 0.35 . . . . 0.0 110.817 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.3 t -60.15 -51.33 70.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.264 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.525 HD22 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -55.39 -38.09 68.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 174.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.15 -39.81 93.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.828 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -76.56 -38.76 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.515 0.198 . . . . 0.0 111.142 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.78 -42.86 80.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.244 0.545 . . . . 0.0 110.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.775 ' HB3' HD21 ' A' ' 81' ' ' ASN . 86.7 mt -71.44 -30.6 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.144 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -65.47 -14.41 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.736 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.5 8.47 61.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.578 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.08 23.91 43.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.922 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.6 mt -121.74 141.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -152.42 146.58 25.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.312 0.577 . . . . 0.0 110.733 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.442 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 32.9 t70 -149.14 156.37 42.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.919 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.64 -33.96 66.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.951 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -31.4 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.021 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.454 ' HB3' HD21 ' B' ' 416' ' ' LEU . 33.8 mmtt -72.07 -55.62 7.04 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.846 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.647 ' HA ' HD12 ' B' ' 429' ' ' LEU . 6.7 mp0 -61.46 -42.46 98.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.437 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.37 -37.64 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.111 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.526 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.2 mmt180 -69.22 -33.4 73.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.414 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.709 HD13 HD12 ' B' ' 416' ' ' LEU . 24.8 mt -55.54 -57.3 12.51 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.538 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.412 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 93.3 m95 -65.88 -30.73 71.37 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 123.162 0.289 . . . . 0.0 111.024 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.534 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 9.3 tp10 -66.37 -56.65 10.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.555 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.626 ' HA ' HD13 ' B' ' 435' ' ' ILE . 7.1 p -65.88 -33.64 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.435 0.636 . . . . 0.0 109.887 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -56.35 -52.14 65.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.889 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.534 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -64.83 -28.61 69.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.028 0.442 . . . . 0.0 110.288 -176.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' B' ' 432' ' ' VAL . 56.7 mt -69.29 -51.87 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.074 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.491 HD23 ' HG3' ' B' ' 406' ' ' GLU . 2.7 tm? -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.871 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.526 HG23 ' HA ' ' B' ' 434' ' ' ARG . 14.0 t -67.53 -34.06 76.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.69 -177.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.2 76.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.947 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.565 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.1 mp -63.99 -44.56 92.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.41 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -61.22 -34.1 74.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.183 0.515 . . . . 0.0 109.895 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -68.21 -45.07 74.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.423 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.47 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.0 mmmm -63.53 -28.65 70.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.478 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 48.9 tp -63.71 -42.24 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 110.067 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -82.69 -4.31 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.47 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.9 tp10 -88.62 -38.0 15.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.164 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.836 -179.173 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.684 ' O1A' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -170.08 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 110.454 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 t -163.99 -162.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -73.53 76.9 1.46 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.218 0.532 . . . . 0.0 110.264 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -124.81 4.08 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -102.68 4.95 38.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.251 0.548 . . . . 0.0 111.199 -174.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 tp -129.29 128.41 43.14 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.572 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 80.4 m-70 -135.52 139.52 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.47 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.725 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -129.21 106.86 9.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 173.198 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.0 131.59 57.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.977 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -107.06 124.85 63.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.534 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 55.3 ttm -95.89 126.44 41.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 111' ' ' ILE . 25.9 m -95.39 169.3 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.923 0.392 . . . . 0.0 111.094 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.87 27.88 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.878 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.4 m -133.08 -61.75 0.82 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.922 0.391 . . . . 0.0 110.298 -176.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.74 -131.22 7.26 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.955 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . -104.44 68.76 0.27 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.131 -175.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.602 ' HA ' ' OG ' ' A' ' 94' ' ' SER . 27.5 m -83.31 5.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.157 0.504 . . . . 0.0 111.066 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.15 18.89 76.92 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.681 -0.69 . . . . 0.0 113.699 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 40.6 pttt -66.88 -41.71 86.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -173.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 m -62.83 -18.38 62.73 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.737 0.303 . . . . 0.0 111.325 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.41 65.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 111.429 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.91 -41.17 83.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.336 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.58 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 23.7 p -67.03 -37.35 83.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.578 HD21 HG22 ' A' ' 40' ' ' VAL . 19.8 tp -65.83 -40.33 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.605 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -75.13 -6.42 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.937 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' HD2' ' HE1' ' A' ' 35' ' ' MET . 60.0 t80 -67.99 -41.37 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.975 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.598 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 1.8 pmm? -119.65 -32.21 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.84 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.597 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 82.4 m-85 -86.27 -32.42 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.151 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 71.39 -0.48 3.1 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.292 0.568 . . . . 0.0 111.495 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 12.4 pt-20 -99.02 157.81 16.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 148.27 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG22 HD21 ' A' ' 32' ' ' LEU . 36.5 t -71.57 101.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 0.0 110.97 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.52 -32.84 6.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.712 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -130.89 83.62 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' HB3' HG13 ' A' ' 40' ' ' VAL . 4.9 t80 -176.15 91.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 4.0 mp0 -89.64 -59.27 0.24 Allowed Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.382 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 52.0 Cg_endo -67.46 152.65 78.4 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.146 1.897 . . . . 0.0 112.926 -175.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.511 HG21 ' HB3' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -156.88 30.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 78' ' ' ILE . 54.9 mtmt -85.7 -48.22 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.601 -176.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.34 12.61 9.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.777 0.799 . . . . 0.0 109.465 176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.7 m-20 -90.46 84.73 6.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.491 -174.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.525 ' HG ' ' NE2' ' B' ' 433' ' ' GLN . 4.5 p -97.56 155.34 17.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.782 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -144.86 143.2 30.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.132 -178.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 31.7 ttm180 -125.21 150.11 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -172.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.598 ' HD3' ' HB2' ' A' ' 35' ' ' MET . 53.9 tptt -136.56 138.21 41.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.57 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 36.2 ttmt -98.56 124.34 43.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.8 m -133.92 147.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -123.36 123.95 68.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.22 0.533 . . . . 0.0 110.558 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.91 95.99 5.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.075 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.59 22.91 3.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.66 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.18 -111.0 0.27 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.536 -1.316 . . . . 0.0 114.15 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 pt-20 -104.35 159.14 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -175.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 69.4 mt-10 -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 13' ' ' ALA . 12.6 t -106.45 142.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.32 117.73 33.29 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.142 0.496 . . . . 0.0 110.708 -176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.639 HD12 ' SD ' ' A' ' 173' ' ' MET . 14.6 tt -105.56 124.97 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.072 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.725 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 30.3 t70 -109.75 121.36 45.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.304 -175.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.7 mm -107.82 127.07 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.12 0.486 . . . . 0.0 111.96 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.4 tp -123.4 134.9 53.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.444 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.511 ' HB3' HG21 ' A' ' 46' ' ' THR . 42.3 t0 -112.66 146.45 38.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 p -98.87 154.5 17.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.01 122.24 42.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.818 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.878 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -85.47 63.76 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.856 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -130.93 174.78 9.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 -177.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -103.27 3.41 35.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.032 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.494 ' HB2' HD23 ' A' ' 72' ' ' LEU . 14.6 m-20 -83.58 -82.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.426 ' CB ' HD11 ' A' ' 78' ' ' ILE . 97.0 m-85 -75.84 71.21 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.229 -177.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -26.67 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.18 0.514 . . . . 0.0 110.634 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.732 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -65.45 -19.04 65.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 1.01 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 81.9 mt -98.95 -34.49 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -83.28 -66.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.417 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.83 -49.31 16.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.656 -174.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.732 HD21 ' HA ' ' A' ' 77' ' ' ALA . 87.4 m-20 -76.53 -17.52 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.828 -166.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 1.01 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.3 m-85 -84.67 -12.83 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.884 -0.51 . . . . 0.0 111.631 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -67.44 -16.91 64.48 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.872 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -61.95 -65.88 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.601 0.239 . . . . 0.0 111.605 -172.757 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.7 m -81.65 23.49 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.17 140.23 14.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.491 174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.798 ' HG3' HD13 ' A' ' 176' ' ' ILE . 12.5 pt-20 -91.98 -37.0 13.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.683 0.241 . . . . 0.0 111.202 -175.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.18 153.25 20.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.053 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HB2' HD22 ' A' ' 123' ' ' LEU . 96.6 m-85 -130.09 136.49 49.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 111.14 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.7 mt -108.94 123.39 49.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.47 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.3 107.13 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.46 139.71 49.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.619 0.247 . . . . 0.0 110.719 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.31 161.71 41.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.173 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -90.86 138.98 31.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.677 176.165 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -0.97 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 111.498 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.881 HG22 HD12 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -86.92 -26.29 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 174.02 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -97.17 101.03 12.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.088 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.4 -23.39 63.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.877 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.64 -41.59 79.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.638 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.1 m -64.86 -32.41 74.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 110.55 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' HB2' HG23 ' A' ' 138' ' ' VAL . 58.1 t80 -64.48 -42.6 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.46 62.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.243 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.0 p -55.07 -44.72 75.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.099 0.476 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.41 -35.78 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.07 -50.28 74.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.275 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.546 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.6 m-85 -57.56 -48.86 78.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.944 177.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -55.41 -57.12 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.166 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.54 -27.17 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.895 -175.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.82 -35.06 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -65.43 -47.76 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.252 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.478 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.9 mp -70.22 -14.76 62.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.447 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -70.72 -29.88 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.174 0.511 . . . . 0.0 109.896 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.441 HG22 ' HG2' ' A' ' 115' ' ' LYS . 17.4 m -110.37 -5.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.615 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.872 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 7.6 mmmm -138.32 94.17 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.117 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.75 -36.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.31 3.64 34.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.422 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.66 ' HG3' ' CE ' ' A' ' 115' ' ' LYS . 5.4 mm-40 -78.81 175.36 10.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.575 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.602 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -68.48 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.834 -0.166 . . . . 0.0 111.228 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.602 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 42.1 mmtm -134.67 146.0 49.09 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.2 mt -120.73 91.63 47.41 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-O 121.037 0.446 . . . . 0.0 110.223 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.641 ' HG2' HG12 ' A' ' 176' ' ' ILE . 9.0 Cg_exo -72.23 134.6 23.26 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.132 2.555 . . . . 0.0 111.748 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 89' ' ' PHE . 82.9 mt -129.32 137.04 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.862 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.643 HD12 ' HG2' ' A' ' 153' ' ' GLN . 3.2 tp -132.49 122.1 24.36 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 124' ' ' LEU . 17.8 t -92.28 123.9 44.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.86 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 36.6 t -117.99 125.62 74.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.373 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 123.12 7.02 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -120.82 167.43 12.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.084 0.442 . . . . 0.0 110.653 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.571 ' HE3' HD21 ' A' ' 132' ' ' LEU . 44.6 tptt 67.42 36.67 3.76 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.638 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -77.06 1.33 18.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.88 10.77 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.51 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.881 HD12 HG22 ' A' ' 96' ' ' THR . 12.8 mt -91.26 -41.37 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 50.73 -64.26 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.654 1.582 . . . . 0.0 114.601 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' LEU . 12.3 pt-20 -72.18 -25.9 61.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 -175.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.8 mtp180 -91.9 25.26 2.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.007 -177.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -66.28 112.45 3.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.802 0.335 . . . . 0.0 110.292 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -106.44 -20.8 13.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.931 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 101' ' ' PHE . 69.9 t -111.19 117.83 48.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.291 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 118.73 5.62 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.923 1.748 . . . . 0.0 109.645 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.677 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -61.16 -21.57 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.94 -174.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.98 -40.68 81.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 110.06 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.06 -41.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.227 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.418 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -60.86 -47.91 84.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.718 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.677 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 22.8 mtm180 -61.73 -37.58 84.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.713 176.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -59.13 -44.28 92.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.543 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -62.05 -42.99 99.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.641 177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -58.7 -48.62 80.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.054 0.454 . . . . 0.0 110.82 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.29 -38.34 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.646 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.214 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.37 -7.4 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.737 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.12 42.89 34.82 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.455 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -125.53 -176.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.734 0.302 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.643 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.2 pm0 -101.6 154.42 18.88 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 69.4 t80 -132.04 126.25 33.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.1 131.03 68.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 0.0 110.572 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.67 127.49 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.068 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -137.91 165.02 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.826 -177.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.7 m -158.29 131.04 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.88 -5.85 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.919 0.39 . . . . 0.0 111.614 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -88.22 -15.41 35.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.505 0.669 . . . . 0.0 109.874 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.5 p -113.85 -31.07 6.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 68.78 78.14 0.22 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.6 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.71 136.14 19.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.629 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.466 ' HB2' HG22 ' A' ' 157' ' ' THR . 93.3 m-20 65.8 12.7 8.52 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.76 0.663 . . . . 0.0 112.089 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.72 -47.31 77.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.868 0.366 . . . . 0.0 110.595 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.4 -24.55 54.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.366 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -57.62 -46.39 84.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.294 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.92 -34.31 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.936 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -69.98 -56.29 7.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.907 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -63.73 -31.75 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.45 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.63 -51.01 68.96 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.018 0.437 . . . . 0.0 110.611 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 122' ' ' PRO . 31.1 tp -68.0 -39.03 83.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.639 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.0 mtp -58.07 -31.29 66.93 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -44.18 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.362 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -60.08 -40.26 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.424 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.798 HD13 ' HG3' ' A' ' 87' ' ' GLU . 72.0 mt -58.49 -36.24 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.271 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 181' ' ' MET . 49.1 mtp85 -65.59 -45.99 81.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 21.8 m -61.3 -35.67 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.876 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.53 ' HG3' ' HG3' ' A' ' 120' ' ' LYS . 14.4 mptt -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.945 0.402 . . . . 0.0 110.51 174.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -65.56 -31.85 73.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.028 -178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 62.7 mtt -80.78 -29.34 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.686 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.0 m 68.29 -172.24 0.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.868 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 70.57 167.55 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 112.162 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.441 HD21 ' HA ' ' A' ' 184' ' ' ASN . 4.6 m120 58.29 51.21 8.65 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.816 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.586 178.429 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.582 ' HA ' ' OE1' ' B' ' 395' ' ' GLN . 65.0 m 62.71 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.984 0.514 . . . . 0.0 111.687 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.15 -83.99 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.191 0.597 . . . . 0.0 111.493 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.479 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.8 t -91.95 -17.66 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.319 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.582 ' OE1' ' HA ' ' B' ' 392' ' ' SER . 47.0 mt-30 -53.8 -33.89 57.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.644 0.259 . . . . 0.0 110.905 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -58.8 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.78 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.73 85.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.276 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.52 ' O ' HG13 ' B' ' 402' ' ' ILE . 33.8 mm -58.09 -50.45 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 110.646 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.0 mttt -58.55 -44.44 89.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.242 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 14.3 mm-40 -63.32 -40.32 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.395 . . . . 0.0 110.565 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.77 -46.14 79.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.133 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.663 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.37 -53.51 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.647 174.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 61.3 mtp180 -58.7 -34.09 70.91 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -62.98 -53.0 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.654 HE21 HG23 ' B' ' 432' ' ' VAL . 15.1 mm100 -70.42 -27.7 64.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 -175.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 52.7 mt-10 -61.28 -36.06 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.03 -46.88 64.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.438 ' O ' HD21 ' B' ' 412' ' ' LEU . 6.6 mp -56.03 -48.76 75.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.54 0.209 . . . . 0.0 111.395 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.581 HD11 HG13 ' B' ' 432' ' ' VAL . 17.3 tp -62.17 -45.83 91.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -55.85 -43.18 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.897 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -60.76 -54.55 43.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.438 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.7 mm? -57.75 -40.02 78.72 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.438 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 20.5 m170 -60.29 -47.4 86.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -72.55 -50.71 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.05 -43.05 86.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 11.2 mp -73.33 -27.75 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 43.4 mt-30 -62.81 -26.24 68.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.972 0.415 . . . . 0.0 110.111 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.29 -6.17 60.82 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.725 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.73 36.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.523 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 37.6 mt -119.49 116.16 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.732 0.266 . . . . 0.0 110.306 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.523 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -144.04 168.3 20.32 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.403 0.62 . . . . 0.0 110.173 173.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.589 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 23.4 t70 -149.41 169.08 21.68 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.54 -29.02 69.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.177 0.444 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 -33.24 75.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.192 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.589 ' HE3' ' HB3' ' B' ' 422' ' ' ASP . 22.5 mmtp -73.18 -42.76 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.264 -176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.574 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 3.0 mm-40 -58.67 -48.13 82.12 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.898 -177.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.1 mm-40 -64.76 -48.39 74.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.622 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.526 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.0 mmt180 -64.7 -34.66 78.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' B' ' 429' ' ' LEU . 5.6 mt -56.07 -50.64 70.44 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.775 177.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 56.1 m95 -68.11 -32.14 72.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.779 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.903 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 41.8 mt-10 -67.77 -56.22 10.06 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.474 -177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.654 HG23 HE21 ' B' ' 405' ' ' GLN . 4.1 p -64.73 -34.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.325 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.525 ' NE2' ' HG ' ' A' ' 50' ' ' SER . 21.2 tp60 -56.98 -51.99 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.279 175.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.903 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.6 ptt180 -67.28 -29.66 69.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.561 HD12 ' HA ' ' B' ' 432' ' ' VAL . 59.0 mt -69.85 -40.9 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.063 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.43 HD22 ' HG2' ' B' ' 406' ' ' GLU . 25.8 tp -64.88 -43.84 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.82 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -67.0 -35.52 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.667 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -69.77 -35.47 74.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.226 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.695 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.6 OUTLIER -65.23 -44.02 89.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.813 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.91 -30.4 70.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.266 0.555 . . . . 0.0 109.562 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.3 tmt_? -66.32 -42.82 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.184 172.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.695 ' HD3' HD13 ' B' ' 439' ' ' LEU . 56.3 mtpt -57.61 -34.59 69.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.58 -44.37 96.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.628 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.698 ' HA ' ' NE ' ' B' ' 444' ' ' ARG . 1.8 mmp_? -83.08 -10.98 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -79.52 -22.01 44.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.324 0.583 . . . . 0.0 109.724 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.446 178.497 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.418 ' O2A' ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.941 -0.463 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' HA ' HD13 ' A' ' 12' ' ' LEU . 51.8 mt-30 65.3 -168.93 0.21 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 111.348 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t 70.92 -53.67 0.67 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.305 0.642 . . . . 0.0 110.479 -173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.7 t -84.58 15.54 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.409 0.624 . . . . 0.0 109.766 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 9' ' ' GLN . 48.6 mt -123.61 25.44 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.289 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -103.06 8.37 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 111.983 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.883 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 tp -129.87 103.55 6.87 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.426 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -103.57 134.87 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.328 -172.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.883 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.46 114.4 28.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.096 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.56 117.61 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.846 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.503 HG12 HD12 ' A' ' 67' ' ' LEU . 66.1 mt -107.14 130.97 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.014 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.446 ' HG2' HD13 ' A' ' 90' ' ' LEU . 83.4 mtp -107.13 112.75 25.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.888 0.375 . . . . 0.0 110.465 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.41 158.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.921 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -178.1 -161.23 25.85 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -93.07 8.39 40.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.979 0.419 . . . . 0.0 110.591 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.59 -47.62 1.02 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.156 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -102.1 -112.72 3.64 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.192 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t 72.76 -54.82 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.634 0.774 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.44 26.77 0.36 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.822 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HB3' HG23 ' A' ' 92' ' ' VAL . 16.4 pttp -78.41 -18.57 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.953 0.377 . . . . 0.0 111.95 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 m -77.6 -30.22 52.33 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.026 0.441 . . . . 0.0 110.524 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.95 -42.43 66.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.279 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD21 HD22 ' A' ' 128' ' ' ASN . 88.5 mt -58.0 -45.65 86.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.582 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.44 ' CG2' HG23 ' A' ' 66' ' ' ILE . 36.6 p -68.23 -40.9 81.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.332 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.25 -40.33 95.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.44 -33.85 76.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.24 -35.61 68.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.486 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -93.88 -51.57 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -98.66 -4.86 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 66.04 16.27 10.39 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.6 158.61 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.553 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -85.38 151.1 24.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.891 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.76 101.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.789 0.804 . . . . 0.0 112.325 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.44 -37.42 10.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.561 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.92 95.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.177 175.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -165.39 105.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -90.16 -66.21 0.15 Allowed Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.43 171.454 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 85.1 Cg_exo -18.91 78.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.37 1.663 1 C-N-CA 125.417 4.078 . . . . 0.0 115.165 -165.463 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.407 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 17.0 p -148.88 56.42 1.02 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.516 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.755 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -84.64 -60.18 2.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.008 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.94 -4.26 6.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 162.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.38 118.45 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.827 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m -147.3 160.93 41.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.97 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -113.7 141.47 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.021 -174.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -90.74 134.06 34.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.203 0.525 . . . . 0.0 111.095 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -98.92 141.14 32.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.103 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -108.99 121.85 46.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.58 148.15 28.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.167 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -128.2 121.29 55.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.397 0.618 . . . . 0.0 110.616 176.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.96 96.87 6.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.394 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.9 75.6 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.913 0.758 . . . . 0.0 111.974 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.73 -117.92 0.9 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.571 -1.299 . . . . 0.0 114.429 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 56' ' ' VAL . 7.7 pt-20 -99.0 151.2 21.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.489 0.185 . . . . 0.0 110.95 -171.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.03 115.99 5.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.894 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.54 HG11 ' HA ' ' A' ' 13' ' ' ALA . 17.2 t -106.44 138.76 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.878 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.267 0.556 . . . . 0.0 110.623 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.468 HD11 ' SD ' ' A' ' 173' ' ' MET . 6.3 tt -121.35 118.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -90.61 129.34 36.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.664 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 HG23 ' CG2' ' A' ' 31' ' ' THR . 29.2 mm -107.89 151.39 9.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.503 HD12 HG12 ' A' ' 18' ' ' ILE . 29.0 mt -130.34 103.92 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.737 0.303 . . . . 0.0 110.763 171.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.565 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.6 t0 -86.37 85.66 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 171.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -71.19 139.01 50.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.323 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.074 173.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.4 77.67 1.81 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.395 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -146.34 168.45 21.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.48 -17.12 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.216 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.467 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 4.8 m-20 -78.3 -77.83 0.15 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.239 0.542 . . . . 0.0 111.581 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -78.23 61.27 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.842 -171.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -20.18 66.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.3 0.571 . . . . 0.0 110.103 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.774 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.06 -6.02 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.621 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.521 HG21 ' O ' ' A' ' 47' ' ' LYS . 72.0 mt -101.38 -35.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -91.12 -66.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.472 0.653 . . . . 0.0 110.402 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.9 -38.93 66.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.557 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.774 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 4.3 t-20 -77.08 -17.9 58.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.224 -173.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.483 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.9 m-85 -91.83 -14.11 30.29 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -58.58 -18.73 32.31 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 17.1 mmt180 -50.98 -68.89 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -86.87 32.77 0.66 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.067 0.46 . . . . 0.0 110.958 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.94 130.23 10.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.548 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' OE1' HG23 ' A' ' 176' ' ' ILE . 10.2 mm-40 -91.15 -81.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.775 0.43 . . . . 0.0 110.568 177.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.7 144.71 17.45 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.347 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.78 128.66 49.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.0 mt -98.83 113.6 25.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.8 176.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD12 HG21 ' A' ' 125' ' ' VAL . 33.1 mt -89.6 106.4 18.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.727 HG23 ' HB3' ' A' ' 27' ' ' LYS . 21.8 m -110.6 122.92 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.51 0.671 . . . . 0.0 111.337 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -137.74 154.93 49.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.355 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.953 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 38.4 t -91.67 145.36 24.65 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.721 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.87 -0.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.365 -178.417 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 135' ' ' ARG . 20.3 p -98.81 -20.76 16.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.066 0.46 . . . . 0.0 110.708 172.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.953 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 21.2 mm-40 -91.22 91.04 8.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.05 0.452 . . . . 0.0 110.615 -174.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -66.54 -32.28 73.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.78 -48.05 83.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.961 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.2 m -64.27 -30.5 71.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.211 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CG ' HG21 ' A' ' 138' ' ' VAL . 86.9 t80 -66.52 -47.08 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.4 m -65.43 -28.19 69.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 0.0 110.731 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.99 -17.81 63.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.297 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.5 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 74.9 p -61.58 -33.04 73.18 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 111.332 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.32 83.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.851 0.358 . . . . 0.0 110.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.94 -37.44 72.87 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.887 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.3 m-85 -57.11 -47.91 79.94 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' O ' HD11 ' A' ' 112' ' ' LEU . 65.9 ttt180 -55.44 -53.75 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 177.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.499 ' HB3' ' NH2' ' A' ' 113' ' ' ARG . 49.1 mt-10 -64.94 -46.07 83.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.131 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.461 ' NE2' ' HE ' ' A' ' 113' ' ' ARG . 7.5 tp-100 -61.5 -36.78 81.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.652 0.263 . . . . 0.0 111.02 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.62 -44.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.819 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.424 ' HG ' HD13 ' A' ' 121' ' ' ILE . 9.6 mp -71.85 -26.94 62.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.628 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.499 ' NH2' ' HB3' ' A' ' 109' ' ' GLU . 24.9 ttm-85 -64.51 -24.36 67.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.93 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -110.57 2.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.251 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.516 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 52.8 mttm -126.38 -104.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.257 -176.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.07 5.44 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.42 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.39 21.76 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.291 0.567 . . . . 0.0 109.876 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.516 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 4.1 mm-40 -93.05 177.84 5.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.103 -172.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.32 -59.09 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 170.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.946 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 21.2 mmmt -157.91 110.36 2.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.424 HD13 ' HG ' ' A' ' 112' ' ' LEU . 51.6 mt -72.55 107.02 2.55 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.165 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 30.2 Cg_endo -93.53 113.19 0.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.46 2.773 . . . . 0.0 112.351 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.76 121.91 44.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -107.73 113.49 26.79 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG21 HD12 ' A' ' 91' ' ' LEU . 15.5 t -83.9 116.31 27.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.806 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.483 ' HB ' HG13 ' A' ' 92' ' ' VAL . 50.1 t -117.3 116.79 53.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.016 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 108.56 3.57 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.12 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.579 HD22 HD21 ' A' ' 30' ' ' LEU . 7.8 t-20 -99.18 175.08 6.02 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.574 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 33.1 mmtp 65.6 24.87 11.68 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.569 0.543 . . . . 0.0 110.763 -175.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 t -62.13 -13.79 30.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.955 0.407 . . . . 0.0 110.697 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.53 -3.66 29.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.364 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.7 mt -77.48 -31.05 53.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 39.11 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.907 1.683 . . . . 0.0 115.208 -175.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' LEU . 8.8 mm-40 -82.52 -14.54 54.78 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.995 -0.441 . . . . 0.0 111.129 -171.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.657 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.68 -5.1 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.721 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -51.6 113.12 0.88 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.178 0.513 . . . . 0.0 110.825 -177.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -99.56 -27.2 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.192 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 95' ' ' ILE . 7.4 p -98.5 123.49 50.01 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.289 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.76 112.79 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.424 2.083 . . . . 0.0 111.106 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.3 p -77.28 -13.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.65 -171.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.29 -47.73 66.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.1 -26.6 65.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 110.139 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 173.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtp180 -70.47 -42.07 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 175.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.7 t -55.89 -46.39 78.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.647 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.439 ' HZ3' ' CD ' ' A' ' 149' ' ' GLU . 30.7 mmtm -59.7 -34.92 73.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.589 179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.02 98.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.213 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.43 -37.31 86.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.234 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.439 ' CD ' ' HZ3' ' A' ' 146' ' ' LYS . 40.5 mt-10 -69.24 -39.62 78.38 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.138 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -82.61 -18.05 42.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.943 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.43 39.79 8.16 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.739 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.97 -174.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -112.63 156.56 22.51 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.988 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -127.89 126.29 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.015 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 23.4 t -133.47 132.93 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.498 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -86.47 137.76 32.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -128.06 140.92 51.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.018 0.437 . . . . 0.0 110.906 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.454 ' HB2' ' HB1' ' A' ' 163' ' ' ALA . 50.8 m -119.43 107.21 13.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.928 176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.75 -9.05 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.029 0.442 . . . . 0.0 110.394 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.94 -31.31 64.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.3 t -145.89 11.99 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.507 ' HD2' ' O ' ' A' ' 162' ' ' ARG . 4.5 tmm_? 61.73 80.6 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.189 -174.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 158' ' ' SER . . . -124.6 120.11 30.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.717 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.76 7.17 6.12 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.13 0.894 . . . . 0.0 111.473 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.72 -48.78 79.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.497 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.72 -43.95 97.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.863 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.438 ' HD2' ' HB2' ' A' ' 171' ' ' ASP . 2.5 tmmm? -56.2 -52.64 63.67 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.678 -172.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.98 -32.81 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -68.34 -46.81 69.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.736 0.303 . . . . 0.0 110.769 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 75.9 m-85 -69.34 -40.58 77.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.691 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.438 ' HB2' ' HD2' ' A' ' 167' ' ' LYS . 21.5 t70 -59.08 -51.42 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.0 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.78 -36.57 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.655 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.468 ' SD ' HD11 ' A' ' 64' ' ' ILE . 59.3 mtm -63.52 -29.69 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 30.9 mmm-85 -69.15 -40.17 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.08 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 29.0 mt-10 -64.13 -37.13 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.501 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.436 HG23 ' OE1' ' A' ' 87' ' ' GLU . 79.9 mt -56.26 -54.29 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.95 -35.81 77.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 41.4 m -73.55 -42.96 61.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.147 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.946 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -70.48 -33.42 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.8 -35.51 72.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm -79.29 -29.78 42.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.98 0.419 . . . . 0.0 109.872 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.0 m 67.44 -78.69 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 185' ' ' LYS . 32.6 mt-10 -141.33 123.8 15.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.991 0.424 . . . . 0.0 110.595 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -83.54 25.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.42 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 183' ' ' GLU . 55.1 mttp . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.038 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.509 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 50.3 m -92.62 85.21 5.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.717 ' HG3' ' H ' ' B' ' 394' ' ' THR . 6.0 pt-20 -82.07 -67.43 0.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.717 ' H ' ' HG3' ' B' ' 393' ' ' GLU . 89.7 m -73.79 -33.42 64.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.047 0.451 . . . . 0.0 109.9 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.509 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 96.7 mt-30 -59.44 -28.25 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.294 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.83 -49.86 75.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 0.0 110.073 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.22 -40.33 87.79 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.856 176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.606 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.31 -52.84 47.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.591 0.23 . . . . 0.0 110.958 177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.4 mttt -59.44 -40.8 87.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.83 -40.08 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.806 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.418 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.8 mt-10 -76.45 -30.43 57.35 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.665 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.732 HG12 ' HG ' ' B' ' 439' ' ' LEU . 62.5 mt -61.45 -53.3 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' B' ' 404' ' ' ARG . 0.0 OUTLIER -62.71 -28.62 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.681 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.59 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 40.0 ttm180 -62.44 -52.08 64.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.373 174.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.428 ' HB2' HD22 ' B' ' 436' ' ' LEU . 70.6 mm-40 -70.81 -32.69 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 71.7 mt-10 -61.31 -44.01 97.93 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.95 -45.83 80.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 67.7 mt -59.7 -52.32 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.611 HD12 HG12 ' B' ' 432' ' ' VAL . 57.9 tp -64.9 -32.25 73.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.19 -45.16 94.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.39 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -61.13 -49.27 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.014 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.584 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.2 mm? -55.74 -35.74 66.51 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.436 175.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -72.48 -42.57 64.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.411 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 47.2 ttt180 -76.06 -53.58 8.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.676 -168.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.82 -37.31 79.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.359 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.599 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 9.1 mp -68.85 -27.32 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.364 -174.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 38.8 mt-30 -60.7 -27.21 67.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.318 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.4 13.1 42.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.252 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.37 3.05 87.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.036 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.1 mt -75.42 116.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -134.75 144.04 47.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.969 0.89 . . . . 0.0 112.24 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.53 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 17.1 t70 -149.89 171.73 16.31 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -33.36 68.98 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 118.746 0.703 . . . . 0.0 109.891 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.6 p -63.45 -37.34 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.516 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.649 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -69.61 -29.67 67.23 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.35 -174.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.649 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 0.9 OUTLIER -73.35 -49.39 27.6 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 109.899 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.4 mm-40 -65.81 -45.04 83.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.414 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.457 ' O ' HG13 ' B' ' 432' ' ' VAL . 15.8 tpt180 -67.07 -32.39 73.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 2.0 mt -55.34 -51.02 68.12 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.357 0.41 . . . . 0.0 110.218 177.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.434 ' O ' ' HB3' ' B' ' 433' ' ' GLN . 29.5 m95 -68.42 -42.71 78.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.793 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 53.7 mt-10 -58.22 -55.9 29.05 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.611 HG12 HD12 ' B' ' 409' ' ' LEU . 12.9 p -63.28 -34.07 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.8 tp60 -55.89 -51.09 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.919 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 14.3 mtp180 -64.85 -33.85 76.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.552 HD11 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -69.73 -50.08 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.817 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.513 HD13 ' HE2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.57 -41.57 81.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.5 t -71.81 -43.29 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.268 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.79 -34.38 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.279 0.561 . . . . 0.0 109.869 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.732 ' HG ' HG12 ' B' ' 402' ' ' ILE . 23.6 tp -70.12 -35.83 74.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.597 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.513 ' HE2' HD13 ' B' ' 436' ' ' LEU . 64.3 mttm -66.24 -35.51 80.6 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.291 0.567 . . . . 0.0 109.899 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -64.28 -41.74 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.507 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.1 mmmm -57.94 -32.92 68.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.152 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.588 ' HB2' HD12 ' B' ' 402' ' ' ILE . 65.6 tp -60.28 -48.36 82.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.421 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -81.09 -3.01 50.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.456 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -99.3 -28.29 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.523 -177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.28 -177.119 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.489 ' N2 ' ' HD3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.499 ' HA ' HD13 ' A' ' 12' ' ' LEU . 29.2 tt0 64.23 83.41 0.17 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.386 0.612 . . . . 0.0 111.389 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 m -124.3 -38.21 2.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.454 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -131.26 70.74 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 109.607 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' A' ' 9' ' ' GLN . 91.2 mt -132.54 14.14 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.309 -176.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.1 9.03 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.333 0.587 . . . . 0.0 111.09 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.52 127.69 41.29 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.43 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.76 152.24 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.377 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.847 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 1.8 tpmt? -128.18 131.66 48.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.918 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.75 137.3 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.927 0.394 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.5 mt -121.88 123.44 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.7 mmt -83.32 107.78 16.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.156 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.16 171.51 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.261 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.76 171.23 28.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.426 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -73.65 -57.68 3.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.235 0.541 . . . . 0.0 110.532 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.64 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -125.83 -61.28 0.16 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.916 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . 155.37 66.03 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.824 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -60.97 -40.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' HA2' ' N7 ' ' A' ' 500' ' ' GNP . . . -159.59 56.81 0.33 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.694 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.916 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 10.6 mtpp -95.25 -74.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.768 0.318 . . . . 0.0 111.636 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.495 ' HB3' HG21 ' A' ' 46' ' ' THR . 1.1 m -70.39 -16.01 62.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.696 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.09 -52.12 21.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.871 0.367 . . . . 0.0 110.654 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.69 -36.46 84.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.532 -177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 35' ' ' MET . 34.5 p -71.52 -41.31 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.473 -177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HB ' ' A' ' 40' ' ' VAL . 29.9 tp -62.35 -35.97 80.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.819 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 44.4 mt-30 -66.65 -33.17 75.06 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.173 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.26 -27.46 62.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.372 0.606 . . . . 0.0 110.353 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 31' ' ' THR . 80.9 mtp -79.59 -61.26 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.938 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -101.95 -3.31 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' CG ' HH12 ' A' ' 162' ' ' ARG . 3.2 t70 67.42 16.43 10.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.484 0.659 . . . . 0.0 110.92 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.63 171.64 8.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.231 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -92.99 144.4 25.29 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.454 ' HB ' HD23 ' A' ' 32' ' ' LEU . 5.7 p -70.1 127.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.36 -66.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -140.74 110.56 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.048 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -147.53 115.12 6.36 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.67 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 35.6 tt0 -94.73 -65.58 0.11 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 87.5 Cg_exo -43.45 -92.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 123.417 2.745 . . . . 0.0 114.979 -163.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.902 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 7.8 p 53.02 21.79 2.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -86.11 -41.71 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.72 21.34 8.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.649 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.902 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.4 m-20 -82.63 77.62 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.535 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 49.8 m -92.1 147.15 23.16 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -140.57 126.29 19.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.497 . . . . 0.0 110.946 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -75.18 104.51 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -105.42 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.044 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -102.0 118.63 37.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.46 152.77 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.189 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -143.4 128.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.058 0.456 . . . . 0.0 110.84 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.97 96.11 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 35.42 75.0 0.06 Allowed 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.266 0.979 . . . . 0.0 112.488 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.22 -113.84 0.57 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' O ' HG21 ' A' ' 56' ' ' VAL . 5.8 pt-20 -96.41 151.92 19.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.833 0.349 . . . . 0.0 111.571 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.99 112.42 12.4 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.12 142.69 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.192 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -113.17 121.29 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.554 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.49 136.22 61.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.847 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 13.9 t0 -118.15 136.4 53.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' SER . 69.9 mt -108.27 119.71 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.653 -171.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.645 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 20.0 tp -106.19 136.18 46.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.723 172.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -120.11 115.91 24.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 110.057 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.2 p -76.92 141.32 40.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.02 130.59 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.299 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.64 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.74 65.28 4.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.312 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.27 159.88 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.314 . . . . 0.0 111.049 -178.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.1 14.95 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' HB2' HD11 ' A' ' 72' ' ' LEU . 6.9 m-20 -90.52 -77.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.394 0.616 . . . . 0.0 111.24 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.507 ' H ' HD11 ' A' ' 72' ' ' LEU . 66.7 m-85 -76.49 75.26 3.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.366 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.68 -13.54 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.899 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.63 -15.95 63.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.073 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.69 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 42.6 mt -94.74 -27.35 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HE ' ' HG2' ' A' ' 110' ' ' GLN . 45.6 ttt180 -92.37 -65.77 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.493 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.43 -48.55 26.92 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.313 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.899 HD21 ' HA ' ' A' ' 77' ' ' ALA . 55.7 m-80 -67.91 -31.88 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.69 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.7 m-85 -82.18 -14.6 55.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.483 ' HB2' HG21 ' A' ' 114' ' ' VAL . 7.1 m-30 -67.4 -16.97 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' CZ ' ' HG2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -52.91 -61.01 2.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.972 0.415 . . . . 0.0 111.138 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 m -87.23 19.58 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.704 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.86 130.79 10.47 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.258 -0.973 . . . . 0.0 111.969 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.645 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 30.1 mt-10 -98.59 -70.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.74 132.0 10.95 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.962 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.414 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.9 m-85 -119.86 121.34 38.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.052 0.453 . . . . 0.0 111.019 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 124' ' ' LEU . 95.8 mt -93.75 115.07 27.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.2 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 mt -92.88 106.27 18.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.759 HG13 ' HB ' ' A' ' 126' ' ' VAL . 17.0 m -109.74 132.22 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.221 0.534 . . . . 0.0 112.047 -173.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.05 152.18 43.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.764 . . . . 0.0 108.956 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 t -101.15 143.3 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.621 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -69.55 -1.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.463 ' CG2' HD21 ' A' ' 132' ' ' LEU . 22.3 p -87.54 -25.87 23.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.196 173.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -112.19 102.08 10.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -74.7 -24.52 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.325 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.23 -47.04 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.9 m -67.69 -20.04 65.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.21 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 45.4 t80 -70.67 -47.5 59.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -64.96 -31.89 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.373 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.06 -15.31 63.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.574 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.0 p -59.03 -35.57 73.53 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.079 0.466 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -38.26 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.047 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.08 -43.48 92.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.512 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.1 m-85 -57.41 -48.07 80.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.333 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -55.9 -53.34 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.87 -32.93 73.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.438 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.591 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 7.0 tp-100 -68.61 -30.83 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.2 mt -75.12 -43.93 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.392 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.59 -21.99 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.663 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 13.4 ttt85 -51.99 -43.96 63.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.957 174.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.483 HG21 ' HB2' ' A' ' 83' ' ' PHE . 11.6 m -99.15 -9.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 62.1 mttm -120.92 -99.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.909 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.39 -69.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.032 0.933 . . . . 0.0 112.594 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.9 22.1 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -170.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -85.65 -78.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.466 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -147.39 -95.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.024 -0.423 . . . . 0.0 111.225 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.594 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 75.4 mmtt -141.15 128.16 20.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.4 mt -104.83 99.32 18.27 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.373 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.645 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 14.9 Cg_exo -68.46 104.35 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.593 2.195 . . . . 0.0 111.703 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.414 HD23 ' HB2' ' A' ' 89' ' ' PHE . 50.3 mt -100.44 143.01 31.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.485 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.611 HD13 ' HG3' ' A' ' 153' ' ' GLN . 7.0 tp -139.62 119.3 13.19 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.029 0.442 . . . . 0.0 110.054 176.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.41 ' N ' HD11 ' A' ' 124' ' ' LEU . 18.2 t -87.57 114.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.751 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.759 ' HB ' HG13 ' A' ' 92' ' ' VAL . 51.1 t -113.06 117.67 55.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.3 101.6 2.45 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.554 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 7.6 p30 -89.49 146.6 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.4 0.619 . . . . 0.0 111.703 -175.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.596 ' HB2' ' C6 ' ' A' ' 500' ' ' GNP . 77.1 tttt 60.36 73.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.73 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 p -89.8 7.19 38.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.432 0.634 . . . . 0.0 109.365 171.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.61 -19.55 63.64 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.582 HD23 ' HG2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -71.76 -49.4 39.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.126 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.88 -71.53 0.09 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 112.765 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.87 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.6 pt-20 -56.54 -36.17 68.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -171.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.87 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 94.6 mtt180 -96.19 27.42 3.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.895 -169.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.648 HH11 ' HB ' ' A' ' 140' ' ' VAL . 14.4 ttm180 -69.44 112.42 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.405 . . . . 0.0 109.933 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -92.98 -26.31 17.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.067 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 6.3 p -106.31 117.89 56.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.002 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.657 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 38.0 Cg_exo -59.72 111.49 0.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.112 1.875 . . . . 0.0 109.584 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.648 ' HB ' HH11 ' A' ' 136' ' ' ARG . 2.9 p -67.47 -10.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -167.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.22 -30.13 69.97 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.298 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.8 pt-20 -75.23 -22.66 57.74 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.648 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.438 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -73.7 -41.96 61.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.08 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.5 mtp180 -63.75 -34.85 78.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.995 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.5 t -55.91 -45.46 78.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.625 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.2 mmtt -69.98 -36.19 75.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.588 0.233 . . . . 0.0 111.223 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.3 88.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.34 -32.85 70.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.83 -42.95 99.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.014 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -92.31 -13.4 30.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.52 37.23 12.35 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.576 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.7 m -119.67 179.12 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.498 0.189 . . . . 0.0 110.629 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.611 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.4 pt20 -99.4 158.16 15.92 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.531 176.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -127.47 125.86 41.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.36 126.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.577 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.24 132.66 33.83 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 128' ' ' ASN . 20.7 p -116.9 130.08 56.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.063 0.459 . . . . 0.0 111.134 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.6 m -105.57 114.38 28.51 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.627 ' HB3' ' N1 ' ' A' ' 500' ' ' GNP . . . -88.03 -13.84 40.56 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.407 -173.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.68 -40.0 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.213 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.8 p -100.43 -8.47 23.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.103 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.485 HH12 ' CG ' ' A' ' 37' ' ' ASP . 61.4 mtm180 58.99 70.7 0.63 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.774 -173.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.6 122.36 41.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.504 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 73.96 9.3 4.72 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.988 0.805 . . . . 0.0 111.347 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.63 -55.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.47 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.0 -35.33 74.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.246 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -56.96 -53.54 56.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.514 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.01 -28.75 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.78 -48.84 23.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.461 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.1 m-85 -70.04 -45.6 66.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.459 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -46.7 82.08 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.283 0.365 . . . . 0.0 110.963 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.499 ' O ' HG13 ' A' ' 176' ' ' ILE . 48.0 tp -61.5 -46.05 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 59.2 mtm -61.66 -30.55 70.8 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.575 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 15.6 mmt180 -65.53 -50.17 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.934 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 16.2 mt-10 -61.1 -36.09 78.75 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.366 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.6 mt -55.47 -40.91 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.207 0.317 . . . . 0.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.445 ' HB3' HD12 ' A' ' 12' ' ' LEU . 54.7 mtt180 -61.21 -44.46 97.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.088 0.47 . . . . 0.0 110.313 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.6 m -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.518 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 67.9 mmtt -67.11 -48.52 67.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.631 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 23.5 mtpp -67.53 -27.6 67.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.181 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.9 mtm -85.76 -29.94 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.184 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.0 t 64.18 -174.92 0.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 50.21 70.63 0.48 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.757 0.789 . . . . 0.0 110.397 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.92 27.96 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.655 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.136 176.785 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 20.1 m -80.42 -43.29 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 51.27 -93.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.067 0.854 . . . . 0.0 112.033 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 24.0 m -69.32 -33.76 73.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.28 -28.9 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.72 -55.61 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.2 -40.43 94.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.957 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.439 ' O ' HG13 ' B' ' 402' ' ' ILE . 36.3 mm -56.85 -52.03 60.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.67 0.271 . . . . 0.0 110.769 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.11 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.937 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -62.15 -39.49 92.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.68 -34.07 64.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.621 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.565 ' HA ' HD23 ' B' ' 439' ' ' LEU . 40.8 mt -59.47 -53.36 49.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.808 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -64.78 -29.65 70.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.368 . . . . 0.0 110.531 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.564 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 51.1 ttp180 -63.91 -46.02 86.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.221 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -71.9 -38.48 69.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -63.17 -34.08 76.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.988 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -72.94 -38.91 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.423 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.12 -43.5 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.13 -42.85 77.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.394 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 18.2 t -62.27 -55.17 30.97 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -54.51 -39.3 67.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.849 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.409 ' HD2' HD22 ' B' ' 429' ' ' LEU . 18.1 m170 -62.02 -44.56 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -77.11 -48.47 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -44.86 91.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.21 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.645 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -74.9 -26.48 59.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.237 -176.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.26 -25.21 67.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.92 -7.75 81.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.576 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 111.06 -17.35 27.07 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.862 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.645 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.1 mt -83.72 116.45 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -147.72 145.94 29.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.587 0.708 . . . . 0.0 110.343 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.623 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.2 t70 -129.98 161.28 31.29 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.553 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.6 mm? -60.82 -33.81 73.59 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.343 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.5 m -65.53 -32.11 73.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.56 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.623 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 59.7 mmtt -69.24 -45.97 68.47 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.006 -176.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.66 -38.62 91.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.241 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 31.5 mt-10 -66.17 -45.5 80.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.219 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.583 ' O ' HG23 ' B' ' 432' ' ' VAL . 25.1 tpt180 -65.97 -34.94 79.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.466 -177.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' B' ' 429' ' ' LEU . 3.8 mt -57.24 -51.83 67.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.883 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.645 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 55.7 m95 -63.92 -30.98 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.91 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 23.4 mt-10 -63.32 -54.69 33.03 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.22 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 428' ' ' ARG . 9.9 t -58.22 -37.18 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 29.2 tp60 -57.27 -54.02 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.331 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.613 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.06 -25.73 62.76 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.873 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.52 HD13 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -68.1 -50.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -40.83 94.25 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.403 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.613 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.5 t -68.72 -38.46 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.772 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.81 -34.76 74.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.362 0.601 . . . . 0.0 109.82 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' B' ' 402' ' ' ILE . 5.3 tp -67.23 -39.62 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.027 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -65.27 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.084 0.468 . . . . 0.0 109.79 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.88 -41.64 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -59.97 -38.67 83.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.891 175.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' B' ' 402' ' ' ILE . 59.2 tp -62.43 -49.97 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.407 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -70.43 -9.55 56.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.32 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -91.15 -17.06 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.048 -178.368 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.714 ' O1B' ' HA3' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -93.57 83.59 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -113.84 -68.84 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.4 t -123.29 51.87 1.43 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 109.59 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 81.6 mt -86.02 -21.05 27.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.7 6.53 47.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 tp -128.57 121.66 29.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.714 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 34.7 m-70 -134.46 128.69 33.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HD2' ' NH2' ' B' ' 434' ' ' ARG . 30.8 mmtp -109.66 120.19 41.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.97 132.06 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 0.0 110.762 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -119.77 122.06 67.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.962 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.4 ttm -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG21 ' HA ' ' A' ' 91' ' ' LEU . 19.9 m -95.45 165.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 111.125 -173.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.83 121.24 0.86 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.641 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 1.5 p -70.47 -60.52 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.578 0.222 . . . . 0.0 111.21 -176.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.99 -48.21 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.95 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.578 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 159.94 -53.15 0.36 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.52 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 93' ' ' PHE . 24.4 m 44.33 30.28 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.12 12.24 60.37 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.578 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 60.7 pttt -65.43 -47.48 76.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.985 0.893 . . . . 0.0 112.237 -177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -63.01 -18.78 63.69 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.8 -39.47 66.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.7 0.286 . . . . 0.0 110.926 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD12 HD21 ' A' ' 128' ' ' ASN . 89.6 mt -73.68 -41.17 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.447 -174.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -61.62 -44.74 96.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HB2' HG23 ' A' ' 40' ' ' VAL . 3.9 mm? -67.66 -26.7 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.913 HE22 ' HA ' ' A' ' 39' ' ' PHE . 73.5 mm-40 -61.84 -47.65 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.3 0.572 . . . . 0.0 109.815 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -71.82 -18.85 62.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.81 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.2 mtp -93.62 -62.41 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.85 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -104.48 -12.45 16.5 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 70.2 21.76 5.79 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 0.0 110.963 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.41 154.02 33.13 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.139 -0.351 . . . . 0.0 110.85 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.913 ' HA ' HE22 ' A' ' 33' ' ' GLN . 51.0 t80 -80.06 124.46 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 32' ' ' LEU . 13.8 t -54.23 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.951 0.782 . . . . 0.0 112.501 -165.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.11 -47.25 10.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.974 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.07 97.28 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.015 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -168.97 91.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.703 ' H ' ' HD3' ' A' ' 45' ' ' PRO . 4.6 mm-40 -118.93 -7.58 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -174.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.703 ' HD3' ' H ' ' A' ' 44' ' ' GLU . 3.4 Cg_exo -80.47 36.12 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 122.185 1.816 . . . . 0.0 113.056 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -87.22 58.44 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.0 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -86.06 -58.92 2.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.639 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -127.73 -36.0 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.616 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -55.14 116.41 2.78 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.78 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 p -153.85 150.71 28.7 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.464 -174.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 15.9 m-85 -124.7 148.37 48.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -92.0 146.44 23.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.436 0.636 . . . . 0.0 111.3 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.57 142.59 32.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.685 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 35.2 ttmt -106.77 118.12 35.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.224 174.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.0 m -129.94 157.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.068 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -144.05 129.27 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.381 0.61 . . . . 0.0 110.794 175.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.7 98.27 7.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.544 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 71.77 -39.1 0.44 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.061 0.85 . . . . 0.0 113.201 176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.19 -116.11 3.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.685 -0.769 . . . . 0.0 114.723 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 pt-20 -107.1 163.89 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.369 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' OE2' ' HD3' ' A' ' 54' ' ' LYS . 62.8 mt-10 -63.43 122.48 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.38 0.609 . . . . 0.0 111.112 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.64 147.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.507 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.21 137.72 51.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.9 117.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.1 141.72 29.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.007 0.432 . . . . 0.0 110.562 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mm -108.38 122.59 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.274 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.477 HD23 ' CH2' ' B' ' 430' ' ' TRP . 43.7 tp -102.44 115.83 31.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.27 -35.45 68.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.265 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m 71.68 152.62 0.12 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.711 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.78 108.21 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.641 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -91.3 42.84 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.916 -169.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.15 179.18 4.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.051 0.425 . . . . 0.0 110.856 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.66 -29.1 21.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.753 -171.239 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -68.71 0.24 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.923 0.868 . . . . 0.0 109.976 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.429 ' HA ' ' CD ' ' B' ' 417' ' ' GLN . 70.0 m-85 -83.93 52.59 2.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.412 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.99 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.66 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.575 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.09 -28.14 69.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.305 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.783 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 3.5 mt -86.91 -23.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.293 0.568 . . . . 0.0 109.956 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -92.53 -65.37 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.677 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -76.89 -54.43 6.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 111.339 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.575 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 54.5 m-20 -69.11 -38.56 78.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.467 -169.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.783 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.5 m-85 -67.39 -22.53 65.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.59 ' HB2' HG23 ' A' ' 114' ' ' VAL . 12.9 m-30 -72.05 -6.14 40.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -59.93 -65.32 0.7 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -178.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.517 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 1.4 t -89.09 30.85 0.91 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 111.403 -171.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.13 163.91 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 62.8 mt-10 -115.53 -75.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.384 0.592 . . . . 0.0 110.462 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.58 139.75 14.67 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.873 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -117.37 132.88 56.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.541 . . . . 0.0 111.46 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 124' ' ' LEU . 98.9 mt -102.54 111.79 24.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.546 HD13 HG23 ' A' ' 125' ' ' VAL . 24.9 mt -90.49 106.11 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG13 ' HB ' ' A' ' 126' ' ' VAL . 35.1 m -113.14 146.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.999 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' HG23 ' A' ' 25' ' ' VAL . 47.2 p90 -156.24 145.59 20.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 176.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.407 ' H ' ' HB ' ' A' ' 25' ' ' VAL . 45.4 m -77.15 130.87 37.9 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.99 3.34 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.119 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.447 ' CG2' HD11 ' A' ' 132' ' ' LEU . 15.3 p -90.85 -26.91 19.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.212 0.529 . . . . 0.0 110.537 171.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -96.69 94.19 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.108 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.11 -24.59 65.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.9 -46.08 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.904 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -68.53 -25.07 64.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 73.8 t80 -69.56 -46.26 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.216 176.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.3 m -64.8 -27.83 69.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.325 0.583 . . . . 0.0 110.331 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.96 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.131 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 49.4 p -61.88 -33.4 74.13 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.613 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.865 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.0 tp10 -61.52 -41.32 97.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.054 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.0 m-85 -58.49 -49.73 76.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.6 -48.38 77.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.817 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.61 -28.47 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.657 0.265 . . . . 0.0 111.019 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.485 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -65.19 -41.88 94.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 109.848 175.163 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' PHE . 72.7 mt -68.71 -43.23 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.34 -18.27 65.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.872 0.368 . . . . 0.0 110.611 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 41.0 ttt85 -75.79 -47.12 27.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.032 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.59 HG23 ' HB2' ' A' ' 83' ' ' PHE . 24.9 m -84.76 -19.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.091 -174.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HZ3' ' CD ' ' A' ' 118' ' ' GLU . 58.6 mttm -108.25 -81.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.686 0.279 . . . . 0.0 111.127 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.77 -60.96 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.095 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.47 77.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.059 0.457 . . . . 0.0 111.763 -171.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.466 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 11.8 pt-20 -154.51 -165.83 2.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.169 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.61 -86.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -136.44 144.35 44.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.899 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mt -120.75 98.79 47.72 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.473 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.4 Cg_endo -86.94 131.44 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.346 2.698 . . . . 0.0 112.684 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.31 122.67 36.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.31 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.718 HD12 ' HG2' ' A' ' 153' ' ' GLN . 4.9 tp -111.58 115.64 29.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.546 HG23 HD13 ' A' ' 91' ' ' LEU . 11.1 t -84.06 117.15 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.911 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.665 ' HB ' HG13 ' A' ' 92' ' ' VAL . 48.4 t -118.08 117.84 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.838 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.434 ' HA3' ' OE2' ' A' ' 156' ' ' GLU . . . -79.49 127.55 8.05 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 17.4 t-20 -119.43 163.77 16.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.941 0.371 . . . . 0.0 110.5 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 72.9 mmtt 70.24 22.0 5.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.579 0.549 . . . . 0.0 110.398 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.0 m -63.18 -1.06 0.89 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.399 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.95 -13.49 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.348 0.594 . . . . 0.0 109.736 171.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.659 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.0 mt -89.76 54.26 2.81 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.296 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.63 -26.87 68.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.75 0.309 . . . . 0.0 111.591 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.48 0.28 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.986 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.659 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.4 mtp180 -124.21 11.7 8.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.741 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.56 113.24 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.995 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.58 -27.69 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.462 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 10.4 p -101.97 121.1 51.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.822 177.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 15.7 Cg_exo -68.23 124.17 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.555 2.17 . . . . 0.0 112.126 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.487 HG21 ' HE2' ' A' ' 154' ' ' TYR . 0.9 OUTLIER -50.68 -29.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.711 175.397 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.76 -54.52 45.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.8 -29.06 65.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.834 0.35 . . . . 0.0 110.475 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -66.01 -49.41 67.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -65.28 -34.1 77.56 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.567 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -54.99 -48.39 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.338 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -63.16 -39.99 96.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 154' ' ' TYR . . . -60.72 -45.22 95.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.72 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.48 -37.66 88.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.578 0.704 . . . . 0.0 109.838 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.37 -42.78 99.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -92.24 -3.4 55.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.51 44.38 50.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.352 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.61 -175.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.643 0.259 . . . . 0.0 110.906 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.718 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.9 pm0 -104.44 141.01 37.1 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.858 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 81.9 t80 -116.54 114.41 24.12 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.3 135.76 63.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.434 ' OE2' ' HA3' ' A' ' 127' ' ' GLY . 23.3 mm-40 -85.37 133.17 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.5 p -125.05 128.53 48.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.638 0.733 . . . . 0.0 111.222 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.4 m -98.51 136.28 38.85 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.644 ' HB3' ' N2 ' ' A' ' 500' ' ' GNP . . . -109.09 -21.04 12.79 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.793 -172.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.517 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 21.9 tptm -84.18 -39.92 18.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.4 p -90.82 -18.15 25.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 64.33 86.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.996 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.99 134.01 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.235 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 66.38 13.37 9.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.653 0.781 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 88.1 t -68.09 -53.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.787 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.54 -33.98 77.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.269 0.557 . . . . 0.0 110.16 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.64 -52.62 59.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.023 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.98 -27.43 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -74.91 -47.28 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.657 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.4 -43.17 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -42.81 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 111.381 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -63.76 -42.4 97.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.251 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.8 mtm -64.91 -30.88 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 13.0 mmt180 -64.47 -42.98 95.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.059 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.585 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 mt-10 -61.44 -41.05 96.58 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.769 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.724 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 63.3 mt -58.33 -26.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.917 0.389 . . . . 0.0 110.796 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.544 ' NH1' ' HB3' ' A' ' 12' ' ' LEU . 32.3 mmt180 -62.76 -48.97 76.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -63.43 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.724 ' HG2' ' HA ' ' A' ' 176' ' ' ILE . 38.9 mmtt -64.64 -46.85 80.76 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.5 mmtt -65.31 -46.4 80.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.281 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.53 -40.81 96.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 61.9 m 65.6 -67.76 0.13 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.898 0.749 . . . . 0.0 111.928 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.72 109.01 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.048 0.451 . . . . 0.0 110.135 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -98.51 -25.39 14.78 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.883 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.3 pttp . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.554 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 27.2 m -51.42 -39.22 56.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.56 -53.47 54.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.971 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.577 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.8 m -75.05 -38.12 61.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 -177.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 57.2 mt-30 -61.43 -29.56 70.02 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.86 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.17 -50.08 72.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.465 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.99 -34.4 70.8 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.872 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.577 HG12 ' O ' ' B' ' 394' ' ' THR . 39.6 mm -59.46 -53.54 46.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.326 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.2 mttt -57.87 -44.37 86.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.687 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.8 -40.63 93.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 22.3 tt0 -75.44 -37.01 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.643 HG12 ' HB3' ' B' ' 439' ' ' LEU . 75.4 mt -53.4 -52.75 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.27 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -61.16 -35.84 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.52 -42.65 99.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.538 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.668 HE21 HG22 ' B' ' 432' ' ' VAL . 16.1 mm100 -76.27 -34.54 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 62.6 mt-10 -63.32 -38.95 93.16 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.0 -46.22 85.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.473 ' O ' HD23 ' B' ' 412' ' ' LEU . 28.3 mt -57.68 -45.67 85.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.716 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.639 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.9 tp -61.24 -47.62 85.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.382 0.61 . . . . 0.0 109.471 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.72 -44.11 85.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.798 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 80.0 p -60.74 -51.97 67.11 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.931 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.2 mm? -55.9 -44.54 78.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 78' ' ' ILE . 2.6 m-70 -57.84 -49.99 74.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.384 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.01 -30.52 55.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.726 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.98 -49.49 51.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.523 HD13 HD11 ' B' ' 429' ' ' LEU . 69.7 mt -65.49 -36.63 84.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.784 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.429 ' CD ' ' HA ' ' A' ' 75' ' ' TYR . 6.8 mt-30 -70.99 -9.28 57.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.03 -12.76 80.57 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.027 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 117.24 32.49 1.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.926 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 66.7 mt -137.85 144.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.456 ' HA ' HD22 ' B' ' 416' ' ' LEU . 2.3 pttm -161.12 150.2 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.187 0.518 . . . . 0.0 110.872 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.586 ' HB3' ' HE2' ' B' ' 425' ' ' LYS . 18.3 t70 -149.49 158.02 43.8 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' B' ' 427' ' ' GLU . 8.4 mp -58.22 -30.12 66.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.087 0.403 . . . . 0.0 111.27 -176.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.19 -34.34 77.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.586 ' HE2' ' HB3' ' B' ' 422' ' ' ASP . 39.1 mmtt -72.98 -43.55 62.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.197 -176.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' B' ' 422' ' ' ASP . 0.5 OUTLIER -58.41 -47.18 84.77 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.872 -178.447 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.3 mm-40 -65.51 -38.26 89.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.255 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.619 ' O ' HG11 ' B' ' 432' ' ' VAL . 9.0 mmt180 -60.52 -38.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.683 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.523 HD11 HD13 ' B' ' 416' ' ' LEU . 16.5 mt -55.76 -48.58 75.03 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 123.441 0.463 . . . . 0.0 110.562 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 89.5 m95 -71.75 -37.71 70.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.957 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 52.9 mt-10 -59.94 -54.9 40.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.142 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.668 HG22 HE21 ' B' ' 405' ' ' GLN . 7.6 p -63.78 -33.61 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.355 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.1 tp60 -56.37 -51.41 68.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.563 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.605 ' NH2' ' HD2' ' A' ' 16' ' ' LYS . 4.5 mpt_? -68.8 -31.88 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 111.262 -177.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 432' ' ' VAL . 39.5 mt -67.56 -47.63 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 109.771 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.7 tm? -59.07 -45.17 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.519 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 6.6 t -69.28 -34.46 74.76 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.084 0.468 . . . . 0.0 110.681 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.612 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.47 -39.6 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.688 HD11 ' HD3' ' B' ' 442' ' ' LYS . 1.6 mp -61.43 -37.25 82.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.682 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 58.8 mmtt -58.31 -42.71 87.29 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.659 0.742 . . . . 0.0 109.462 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.79 -43.05 97.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.827 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.688 ' HD3' HD11 ' B' ' 439' ' ' LEU . 28.5 mtpp -58.27 -35.77 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.242 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 37.7 tp -63.32 -39.75 95.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.847 0.356 . . . . 0.0 110.561 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -82.12 -6.2 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.564 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.78 -35.51 14.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.395 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.662 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 67.44 -72.9 0.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.312 0.645 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 t -175.74 178.97 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 p -75.02 105.95 6.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -55.39 32.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.021 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 61' ' ' GLU . . . 63.38 3.2 1.33 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 tp -129.57 112.12 13.4 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.503 ' CD2' HG13 ' A' ' 62' ' ' VAL . 27.6 m-70 -136.43 138.25 41.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 70.6 mmtt -120.93 120.03 34.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.512 0.196 . . . . 0.0 110.888 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.85 123.5 65.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.433 HD11 ' CE1' ' A' ' 89' ' ' PHE . 62.8 mt -109.27 135.53 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.471 ' SD ' HD11 ' A' ' 90' ' ' LEU . 92.4 mmm -97.6 114.4 26.32 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 m -107.82 162.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.697 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.63 165.94 26.86 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -71.26 95.93 1.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.459 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.57 -75.19 0.7 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.724 -174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.27 80.71 0.07 OUTLIER Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.43 -67.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.52 ' HA3' ' H8 ' ' A' ' 500' ' ' GNP . . . -164.11 26.22 0.2 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.479 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB3' HG22 ' A' ' 92' ' ' VAL . 14.5 pttp -78.39 -15.66 58.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.268 . . . . 0.0 111.428 -175.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' O ' HD22 ' A' ' 32' ' ' LEU . 26.6 m -78.92 -29.22 44.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.948 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.25 -44.04 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 159' ' ' ALA . 95.4 mt -66.39 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.88 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.496 ' CG2' HG22 ' A' ' 66' ' ' ILE . 22.1 p -68.02 -45.57 73.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.335 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD22 ' O ' ' A' ' 28' ' ' SER . 4.6 mm? -63.18 -31.21 72.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -61.68 -56.22 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.887 174.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.99 -36.94 80.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.534 ' SD ' ' HB2' ' A' ' 53' ' ' LYS . 8.2 tpp -69.7 -49.3 54.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.765 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 47.4 m-85 -106.84 -81.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.684 -177.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 35.1 t70 164.45 -29.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.0 0.812 . . . . 0.0 110.358 -177.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.09 165.63 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.835 -172.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -88.1 125.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.068 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.91 150.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.336 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -91.11 19.38 5.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.0 109.924 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' OD2' ' N3B' ' A' ' 500' ' ' GNP . 24.9 t70 67.59 109.34 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.424 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 97.5 m-85 -72.42 159.41 34.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.208 175.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.592 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 44.9 mt-10 -77.5 -49.01 2.28 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.849 167.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.4 Cg_endo -60.52 -108.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 123.001 2.468 . . . . 0.0 114.656 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 23.4 p 53.62 33.49 16.59 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.604 0.761 . . . . 0.0 111.404 -173.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.07 -56.23 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.297 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.43 18.93 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.697 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD2' ' HB2' ' A' ' 45' ' ' PRO . 22.1 m-20 -85.89 95.49 9.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.03 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -104.09 145.19 30.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.1 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -131.06 145.73 52.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.63 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 33.0 ttm180 -101.75 113.69 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.095 0.474 . . . . 0.0 110.938 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 51.6 tptt -98.14 121.41 40.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.864 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 34.7 ttmt -90.72 118.2 29.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.263 0.554 . . . . 0.0 110.924 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.83 168.05 20.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 1.5 p -134.35 113.54 17.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD21 ' CD1' ' A' ' 170' ' ' PHE . 96.7 mt -88.92 99.09 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.895 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 70.2 -47.67 0.63 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.859 0.864 . . . . 0.0 112.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.47 32.07 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.26 -0.972 . . . . 0.0 113.924 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.542 ' O ' HG22 ' A' ' 62' ' ' VAL . 11.3 pt-20 -127.46 119.12 25.4 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 170.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 32.3 mt-10 -70.11 111.72 5.96 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 60' ' ' GLU . 20.4 t -103.88 137.94 30.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -166.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.63 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 46.7 mt-30 -112.93 116.17 29.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 HG23 ' O ' ' A' ' 53' ' ' LYS . 10.9 tt -118.52 115.53 48.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.315 0.579 . . . . 0.0 110.397 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.17 127.18 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.582 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.496 HG22 ' CG2' ' A' ' 31' ' ' THR . 48.5 mm -107.93 127.93 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.805 0.336 . . . . 0.0 111.298 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.2 mt -111.6 118.84 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.476 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.446 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 32.2 t0 -90.22 86.55 6.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -68.34 138.69 55.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.453 -172.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.3 113.46 8.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.509 173.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 76.21 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.85 -175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -149.16 178.51 8.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.89 -29.85 68.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.342 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 6.0 m-20 -88.48 -164.41 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.12 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' HB3' HD13 ' A' ' 78' ' ' ILE . 14.5 m-85 43.57 42.61 4.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.492 0.663 . . . . 0.0 111.975 -176.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -14.66 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.326 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.1 -14.19 61.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.785 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 19.3 mt -97.53 -37.97 7.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.373 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -92.29 -65.31 1.01 Allowed 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.654 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' OD1' ' HD3' ' B' ' 421' ' ' LYS . 4.6 t70 -60.06 -50.73 72.54 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 111.518 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.534 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 34.6 m-80 -73.92 -25.99 60.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.852 -171.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 4.0 m-85 -88.31 -36.88 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.482 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.7 m-30 -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.362 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -48.8 -65.91 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.856 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 4.8 t -87.82 24.74 1.68 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.45 0.643 . . . . 0.0 110.019 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.96 -177.84 51.94 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.5 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 36.3 tt0 -143.85 -79.27 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.06 147.95 16.35 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.855 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CE1' HD11 ' A' ' 18' ' ' ILE . 81.7 m-85 -134.01 133.96 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.981 0.391 . . . . 0.0 111.208 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 124' ' ' LEU . 81.2 mt -108.79 122.02 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.14 107.78 19.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.675 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -110.47 126.43 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.131 0.491 . . . . 0.0 110.516 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.59 155.38 48.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -97.16 141.14 30.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.646 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -76.63 -4.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.337 -178.336 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 p -88.06 -42.2 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -86.37 95.83 9.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -64.34 -24.17 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.19 -37.93 89.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.301 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 m -64.9 -31.85 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.63 -40.2 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.637 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.7 m -73.75 -33.51 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -23.1 67.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.192 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 76.8 p -56.7 -37.57 71.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.83 95.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.551 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 20.3 tt0 -61.62 -42.98 99.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.613 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.6 m-85 -57.77 -51.4 69.71 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.299 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -58.53 -54.41 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.281 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.7 -31.08 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 4.9 tp-100 -70.31 -34.44 72.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.361 . . . . 0.0 110.387 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.628 HG21 HD11 ' A' ' 121' ' ' ILE . 54.7 mt -71.14 -41.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.277 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.535 ' O ' ' HB1' ' A' ' 116' ' ' ALA . 9.2 mp -66.54 -23.99 66.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -71.52 -38.14 71.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 83' ' ' PHE . 34.8 m -91.64 -30.15 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 118' ' ' GLU . 60.8 mttm -101.81 -100.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.325 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 112' ' ' LEU . . . 66.95 -56.38 0.43 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.067 0.947 . . . . 0.0 113.364 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.48 0.4 29.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 12.4 pt-20 -98.1 -152.06 0.39 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.751 -178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.04 -83.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 74.9 mmtt -138.61 153.19 48.63 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.485 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.628 HD11 HG21 ' A' ' 111' ' ' ILE . 36.6 mt -126.7 97.86 32.43 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.801 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.688 ' HG3' ' HG2' ' A' ' 179' ' ' LYS . 3.7 Cg_exo -80.78 115.3 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.265 2.644 . . . . 0.0 112.165 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.65 160.84 15.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.381 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.598 HD11 ' HG3' ' A' ' 153' ' ' GLN . 3.6 tp -150.73 118.07 6.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.44 ' N ' HD12 ' A' ' 124' ' ' LEU . 24.6 t -90.72 121.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.293 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.675 ' HB ' HG12 ' A' ' 92' ' ' VAL . 58.9 t -115.7 123.99 71.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.705 -176.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.35 106.36 2.09 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -99.51 142.46 30.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.584 ' HD3' ' C4 ' ' A' ' 500' ' ' GNP . 59.0 tptt 66.11 63.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.435 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 m -77.51 -4.79 47.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.815 0.817 . . . . 0.0 108.966 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.42 ' HB3' ' HD2' ' A' ' 129' ' ' LYS . 32.5 t70 -76.53 66.72 2.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.728 -177.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.534 HD22 ' HG3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -168.07 -52.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.304 176.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.524 ' N ' HD11 ' A' ' 132' ' ' LEU . 38.0 tt0 64.95 -67.23 0.12 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.849 0.86 . . . . 0.0 112.835 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.881 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.5 pt-20 -56.84 -34.68 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.881 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 87.6 mtt180 -95.79 19.0 11.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -170.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.646 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -70.36 114.42 8.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.719 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.68 -20.26 26.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.45 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.5 p -118.58 118.23 33.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.885 0.374 . . . . 0.0 110.788 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.56 128.33 25.58 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.639 2.226 . . . . 0.0 112.709 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' HA ' ' HB1' ' A' ' 143' ' ' ALA . 1.0 OUTLIER -56.82 -27.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.247 177.578 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.35 -39.83 73.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.627 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.98 -19.77 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.736 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.435 ' HB1' ' HA ' ' A' ' 140' ' ' VAL . . . -67.94 -44.77 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.04 -33.49 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.1 0.476 . . . . 0.0 109.718 176.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.9 t -57.48 -49.53 75.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.858 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -59.97 -41.27 91.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.655 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.31 98.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 0.0 110.511 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.17 -29.52 66.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.27 -40.27 95.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -82.97 -12.89 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.616 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 22.91 48.81 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.272 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.3 m -110.89 167.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 111.108 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.598 ' HG3' HD11 ' A' ' 124' ' ' LEU . 11.9 pt20 -91.78 156.14 17.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.42 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -120.56 121.82 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.6 135.61 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.469 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.68 121.48 28.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.647 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -132.0 129.77 40.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.446 ' HA ' ' O6 ' ' A' ' 500' ' ' GNP . 69.7 m -136.53 130.56 32.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.962 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.548 ' HB2' HD21 ' A' ' 30' ' ' LEU . . . -84.4 8.41 16.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.038 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.564 ' HB2' HN22 ' A' ' 500' ' ' GNP . 27.1 tptp -88.59 -20.1 25.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.835 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -0.15 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.678 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 162' ' ' ARG . 36.3 mtp-105 59.68 36.35 22.43 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.26 131.93 52.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 65.95 9.61 6.28 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.745 0.818 . . . . 0.0 112.437 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.51 -52.79 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.908 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.68 -31.88 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.096 0.474 . . . . 0.0 110.57 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -58.31 -52.54 65.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.389 -173.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.68 -29.45 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.26 -45.18 41.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 57' ' ' LEU . 19.4 m-85 -67.55 -45.66 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.554 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.49 -50.87 68.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.52 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.3 tp -61.76 -44.33 97.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.534 ' HA ' HD13 ' A' ' 176' ' ' ILE . 66.0 mtm -63.96 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.943 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.418 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 12.3 mmm180 -67.65 -39.85 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.506 0.193 . . . . 0.0 110.957 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.38 -30.82 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.534 HD13 ' HA ' ' A' ' 173' ' ' MET . 66.5 mt -56.94 -29.57 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.485 ' HB3' ' HE1' ' A' ' 181' ' ' MET . 76.4 mtt180 -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.389 175.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.8 m -69.11 -30.0 68.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.385 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.688 ' HG2' ' HG3' ' A' ' 122' ' ' PRO . 14.4 mptt -66.78 -57.45 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.626 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -74.92 -23.99 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -172.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.485 ' HE1' ' HB3' ' A' ' 177' ' ' ARG . 70.3 mtm -86.58 -11.62 50.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.044 174.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.7 m 61.3 -167.6 0.19 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.906 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.58 ' HB3' ' HE2' ' A' ' 185' ' ' LYS . 45.1 mt-10 -82.3 77.61 9.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.0 0.429 . . . . 0.0 110.739 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.06 69.83 9.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.939 0.876 . . . . 0.0 109.686 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.58 ' HE2' ' HB3' ' A' ' 183' ' ' GLU . 40.1 mtmt . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.259 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 11.1 m -73.41 -19.68 60.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.72 139.11 57.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.104 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.405 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.5 m 74.42 -48.11 0.65 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -61.24 -33.49 73.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.565 0.221 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.15 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.46 93.35 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.784 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.439 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.7 mm -54.49 -47.49 70.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 0.0 110.306 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 97.6 mttt -60.57 -45.52 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.525 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.25 -34.79 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.724 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.08 -45.85 72.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' B' ' 439' ' ' LEU . 88.4 mt -53.25 -52.63 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.648 175.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 68.1 mtp180 -62.88 -34.09 76.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.763 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.9 -46.59 88.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.482 ' OE1' HG23 ' B' ' 432' ' ' VAL . 75.6 mm-40 -75.25 -32.21 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.711 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.48 -43.25 93.31 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.63 -51.38 69.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.971 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.485 ' HB2' HG22 ' B' ' 432' ' ' VAL . 70.4 mt -58.74 -47.5 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.222 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.552 HD12 HG12 ' B' ' 432' ' ' VAL . 16.0 tp -69.76 -45.79 67.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.466 . . . . 0.0 110.696 -176.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -56.35 -47.2 79.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.573 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 12.2 t -60.57 -53.86 52.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.744 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 62.3 mt -53.93 -42.11 68.46 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.0 m170 -65.61 -41.08 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.65 -43.24 26.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.6 -54.27 25.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.605 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.674 ' HG ' ' HD3' ' B' ' 425' ' ' LYS . 1.5 mp -62.35 -26.77 68.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.723 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.9 tt0 -66.14 -13.86 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.81 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.29 11.41 50.26 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.476 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.53 33.95 17.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.04 116.5 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 29.0 mtmm -123.4 144.2 49.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.731 0.777 . . . . 0.0 112.054 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 22.5 t70 -147.65 159.11 44.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.221 -1.354 . . . . 0.0 107.475 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.253 0.549 . . . . 0.0 110.282 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -65.44 -42.03 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.39 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.674 ' HD3' ' HG ' ' B' ' 416' ' ' LEU . 0.3 OUTLIER -71.42 -37.07 71.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.387 -170.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.631 ' HB3' ' HZ3' ' B' ' 425' ' ' LYS . 4.3 pt-20 -73.75 -35.65 65.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.212 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.28 -39.73 68.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.998 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.622 ' O ' HG13 ' B' ' 432' ' ' VAL . 33.9 mmt180 -65.07 -35.91 82.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 174.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.474 HD12 HD21 ' B' ' 416' ' ' LEU . 6.1 mt -55.72 -57.41 12.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.389 0.43 . . . . 0.0 111.388 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.514 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 51.6 m95 -63.92 -31.85 73.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.025 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.45 ' O ' HG13 ' B' ' 435' ' ' ILE . 39.0 tt0 -68.15 -56.55 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.722 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.622 HG13 ' O ' ' B' ' 428' ' ' ARG . 3.1 p -62.77 -34.59 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.192 0.52 . . . . 0.0 109.837 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.43 -51.21 69.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.142 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.58 -26.28 63.45 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.577 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' B' ' 432' ' ' VAL . 40.3 mt -72.87 -45.66 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.07 -46.2 82.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -70.5 -35.45 73.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.637 0.256 . . . . 0.0 111.042 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.34 79.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.564 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.3 mp -64.86 -37.86 89.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.136 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -61.8 -39.13 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.345 0.593 . . . . 0.0 109.637 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.15 -44.96 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.372 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.61 -31.21 71.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.57 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.438 ' HA ' HG22 ' B' ' 398' ' ' ILE . 52.9 tp -62.59 -43.1 99.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.035 0.445 . . . . 0.0 110.077 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -82.09 -7.27 59.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.42 -35.18 25.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.918 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.875 179.615 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.584 ' C4 ' ' HD3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.9 83.51 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.6 m -151.1 132.9 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.416 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.9 m 64.31 18.97 11.6 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.58 0.55 . . . . 0.0 111.403 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -96.11 -13.31 23.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.172 -175.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -97.85 11.08 38.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -133.15 126.56 31.95 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' N ' HD22 ' A' ' 14' ' ' LEU . 57.1 m-70 -136.92 152.7 50.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 111.376 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 6.5 mmpt? -122.07 106.37 11.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.817 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.13 115.55 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.503 . . . . 0.0 110.767 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.23 131.02 64.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.331 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.2 ttm -93.51 114.79 27.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.32 155.66 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.61 -174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.11 -168.7 41.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 12.2 t -115.64 146.6 41.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.55 -113.19 1.65 Allowed Glycine 0 C--N 1.333 0.394 0 O-C-N 123.683 0.614 . . . . 0.0 112.731 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.73 52.54 0.77 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.078 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 22' ' ' SER . 38.4 t -82.04 65.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.969 0.89 . . . . 0.0 110.293 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.23 45.25 62.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.296 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -131.36 70.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.862 0.839 . . . . 0.0 110.69 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.54 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.615 172.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.55 -41.05 69.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.901 -177.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD11 HD22 ' A' ' 128' ' ' ASN . 8.0 mp -63.27 -30.99 72.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.636 -173.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.4 p -69.71 -43.03 73.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.007 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -37.0 83.48 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.812 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 90.1 mt-30 -64.13 -33.59 76.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.342 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -71.18 -37.24 72.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.644 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.6 mtt -78.02 -54.28 6.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.375 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -143.81 -61.76 0.4 Allowed 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.873 1.321 . . . . 0.0 110.631 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 1.3 t70 -88.91 -162.37 0.85 Allowed 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 111.898 -2.41 . . . . 0.0 112.097 -149.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -131.15 -165.24 1.54 Allowed 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.806 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -74.24 106.41 5.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.206 0.527 . . . . 0.0 109.796 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -78.59 157.65 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.138 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.0 -11.82 24.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.25 125.36 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.525 174.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -175.83 121.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.995 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.7 mm-40 -134.6 -36.97 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.995 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -45.94 98.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.854 2.369 . . . . 0.0 113.081 174.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -158.37 42.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.096 177.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -85.37 -50.81 7.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.883 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.13 20.8 8.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.459 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.5 m-20 -94.15 94.33 8.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.469 -171.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t -105.71 151.54 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.737 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 0.3 OUTLIER -140.2 125.26 18.55 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.747 -178.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.644 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 41.3 ttp180 -91.77 113.79 26.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.019 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.32 138.72 35.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.162 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -97.68 118.51 34.37 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 172.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.5 142.01 44.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 2.6 p -92.49 102.7 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.845 0.831 . . . . 0.0 109.536 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.27 99.37 11.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.018 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 61.98 12.26 4.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.412 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.89 -33.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.936 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 5.4 pt-20 -105.94 140.82 38.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.595 0.697 . . . . 0.0 110.75 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -76.81 111.28 12.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.26 0.552 . . . . 0.0 109.628 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 13' ' ' ALA . 10.8 t -107.09 155.83 7.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.394 -170.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -112.35 117.01 31.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -123.93 112.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.391 0.615 . . . . 0.0 110.44 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.644 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 17.4 t70 -98.02 121.19 39.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.763 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.44 114.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.448 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.84 130.2 46.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.497 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -95.18 120.2 35.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 140.94 36.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.095 0.474 . . . . 0.0 111.589 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.94 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.206 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 56.65 2.4 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.92 158.38 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.659 0.266 . . . . 0.0 110.82 -178.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.15 -24.11 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.705 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.444 ' HB2' HD12 ' A' ' 72' ' ' LEU . 16.3 m-20 -57.26 -64.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 111.238 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -84.35 65.03 8.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.434 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -64.94 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.547 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.643 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -63.26 -19.97 65.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.352 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.474 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 27.8 mt -94.64 -30.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -177.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.49 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -92.14 -66.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.768 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -40.36 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 111.179 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.643 HD21 ' HA ' ' A' ' 77' ' ' ALA . 93.7 m-20 -76.55 -22.71 53.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.895 -174.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 23.8 m-85 -89.97 -35.87 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 18.7 m-30 -56.53 -27.38 57.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.449 HH12 ' CD ' ' A' ' 117' ' ' GLU . 21.1 mmm180 -47.25 -67.98 0.23 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.543 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.9 m -84.92 29.61 0.62 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.006 0.431 . . . . 0.0 111.444 -178.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.63 -172.27 47.53 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.277 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 31.7 tt0 -148.36 -76.28 0.17 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.769 0.427 . . . . 0.0 110.129 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 148.62 16.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.875 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.87 133.39 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -99.46 114.66 27.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.322 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 125' ' ' VAL . 65.7 tp -97.99 107.16 19.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.037 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.1 m -104.73 136.77 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.099 0.475 . . . . 0.0 111.803 -176.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -144.98 163.74 33.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.727 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 p -111.12 146.27 37.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.255 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.48 -0.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.773 0.321 . . . . 0.0 111.57 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.492 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.0 p -90.27 -53.37 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 110.699 174.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.9 95.67 5.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.792 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -64.13 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.147 178.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.208 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -68.49 -27.27 65.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.721 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -68.34 -45.65 72.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -68.6 -28.78 67.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.272 0.558 . . . . 0.0 110.794 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.46 62.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.248 -177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 38.9 p -54.47 -39.5 67.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 111.871 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.05 92.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.693 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.77 -45.39 94.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.563 ' HZ ' ' HB2' ' A' ' 22' ' ' SER . 22.1 m-85 -63.28 -49.34 74.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.139 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -55.39 -54.82 38.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 42.7 mt-10 -61.53 -38.63 88.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.234 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 4.9 tp-100 -59.01 -38.76 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.086 0.47 . . . . 0.0 110.5 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.01 -44.37 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.191 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.1 -25.96 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.679 0.276 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 61.5 mtp180 -64.73 -29.31 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.338 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 83' ' ' PHE . 19.6 m -102.73 -19.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.363 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.596 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 40.2 mttm -104.83 -112.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.832 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.03 -24.39 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.228 1.011 . . . . 0.0 113.662 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 115' ' ' LYS . 12.3 pt-20 -88.56 12.21 15.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.54 ' CD ' ' HZ3' ' A' ' 115' ' ' LYS . 8.3 pt-20 -122.9 -167.15 1.54 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.187 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -84.39 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -141.92 129.93 21.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.864 -0.522 . . . . 0.0 111.539 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.2 mt -102.35 104.9 40.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.623 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -87.4 114.76 1.03 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.249 2.633 . . . . 0.0 112.522 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.37 121.98 45.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 90' ' ' LEU . 2.8 tp -105.41 112.97 26.27 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.468 HG21 HD22 ' A' ' 91' ' ' LEU . 4.7 t -85.1 118.5 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 0.0 109.845 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.523 ' HB ' HG12 ' A' ' 92' ' ' VAL . 28.6 t -112.26 127.88 69.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.889 -174.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.31 113.78 3.81 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.429 HD22 HD11 ' A' ' 30' ' ' LEU . 9.7 t-20 -109.21 164.78 12.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.857 0.329 . . . . 0.0 110.537 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? 63.58 63.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.052 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.0 m -87.52 11.01 15.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.398 0.618 . . . . 0.0 110.204 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.54 -2.65 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.511 HD12 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -102.0 -61.18 1.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.327 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 67.42 -65.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.736 0.814 . . . . 0.0 111.542 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.95 -26.95 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.615 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.435 ' HB2' HD13 ' A' ' 132' ' ' LEU . 59.7 mtp180 -86.76 19.32 2.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.678 -174.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -67.01 113.69 5.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.57 0.224 . . . . 0.0 110.411 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -102.53 -10.34 19.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 110.906 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 p -125.51 120.05 24.68 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.688 174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.605 ' HB2' ' HG2' ' A' ' 141' ' ' GLU . 19.0 Cg_endo -59.82 119.23 6.33 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.214 1.943 . . . . 0.0 110.824 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.44 -11.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.956 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.605 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.7 pt-20 -59.69 -43.85 93.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 13.7 pt-20 -77.88 -24.74 48.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.041 0.448 . . . . 0.0 110.155 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.22 91.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -62.33 -41.76 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.121 173.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.0 t -55.93 -43.55 77.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.845 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.69 -44.33 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.2 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.204 0.526 . . . . 0.0 110.309 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.76 -35.47 80.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.405 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.5 -40.68 95.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.937 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.78 -13.1 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.527 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.44 25.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.301 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.87 -176.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 122.042 0.137 . . . . 0.0 110.917 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -106.4 153.38 22.33 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -121.34 126.84 50.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.879 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.5 130.88 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.874 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.66 134.95 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.7 p -133.88 170.02 16.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.5 . . . . 0.0 111.541 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.1 t -155.29 124.48 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.44 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.77 -26.0 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.528 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -76.69 -45.96 27.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.998 0.427 . . . . 0.0 110.125 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -14.87 47.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.694 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 60.16 80.96 0.19 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.274 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.05 126.91 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 65.25 7.75 4.41 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.515 0.726 . . . . 0.0 112.455 176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -38.49 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.098 0.475 . . . . 0.0 110.684 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.46 -31.81 58.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.373 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.54 -47.63 84.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.79 -28.79 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -75.06 -52.16 11.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.7 m-85 -63.94 -46.99 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -42.81 93.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.826 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 176' ' ' ILE . 53.3 tp -60.56 -42.99 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 109.966 177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.523 ' HA ' HD13 ' A' ' 176' ' ' ILE . 66.8 mtm -60.26 -30.11 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.077 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.447 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 9.9 mmm180 -74.87 -41.78 59.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.411 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.4 mt-10 -59.98 -38.62 83.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.371 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 173' ' ' MET . 98.0 mt -57.77 -42.69 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.498 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 173' ' ' MET . 63.4 mtt-85 -63.33 -43.77 96.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.37 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.2 m -61.47 -38.84 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.1 mptt -65.06 -46.6 80.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.629 176.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -67.78 -40.09 84.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.301 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.0 mtm -73.31 -23.12 60.22 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.184 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.2 m 68.64 167.84 0.27 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.594 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 53.26 84.0 0.06 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.1 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -117.37 32.5 6.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.616 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.351 -178.12 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 7.1 p -151.32 -20.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.405 . . . . 0.0 110.828 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 1.3 mp0 -52.15 -65.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.391 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.5 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.0 t -83.04 -18.61 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.481 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -53.64 -35.6 61.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.136 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.95 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.904 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . 0.402 ' HA2' ' OE1' ' B' ' 400' ' ' GLU . . . -69.67 -33.93 72.1 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.589 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.501 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.64 -47.92 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.027 0.441 . . . . 0.0 110.023 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.11 -38.66 87.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.13 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.402 ' OE1' ' HA2' ' B' ' 397' ' ' GLY . 47.4 mt-10 -60.03 -48.81 80.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.678 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 20.5 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.505 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.545 HD11 ' HB2' ' B' ' 443' ' ' LEU . 93.2 mt -59.23 -50.53 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.511 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 25.5 mmm180 -62.12 -31.26 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.248 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.87 -44.62 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.359 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.434 ' HB2' HD11 ' B' ' 436' ' ' LEU . 32.9 mm-40 -68.7 -35.55 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.511 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 44.3 mt-10 -60.53 -41.8 95.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.098 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.41 -47.38 86.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.94 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.675 ' HB2' HG22 ' B' ' 432' ' ' VAL . 61.9 mt -60.64 -51.2 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.725 HD21 HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -59.32 -39.44 83.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.976 178.65 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -64.56 -44.71 89.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.068 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.6 t -59.69 -54.02 51.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.465 HD22 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -55.72 -42.75 75.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.805 0.336 . . . . 0.0 111.096 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.579 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.4 m170 -64.77 -39.21 93.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -77.48 -45.76 24.6 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.29 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.54 -55.11 22.65 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.29 0.567 . . . . 0.0 111.643 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.445 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 67.1 mt -65.97 -24.58 66.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.778 -175.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.5 tt0 -59.22 -21.57 59.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.67 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.33 -7.16 86.92 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.925 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.46 17.66 13.22 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.247 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 51.7 mt -87.47 132.85 31.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -139.52 143.37 37.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.994 0.902 . . . . 0.0 112.762 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.689 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.5 t70 -149.54 171.36 16.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 7.8 mp -72.19 -31.16 65.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.725 0.774 . . . . 0.0 109.779 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -34.64 78.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.251 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.689 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.8 pptp? -69.92 -37.38 75.93 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.588 -172.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.584 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.2 pt-20 -72.87 -41.76 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.18 -42.28 76.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.71 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.604 ' O ' HG11 ' B' ' 432' ' ' VAL . 15.0 mmt180 -61.5 -44.47 97.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.845 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' B' ' 433' ' ' GLN . 8.1 mt -55.38 -52.51 63.3 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.468 0.48 . . . . 0.0 111.543 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.747 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 87.3 m95 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.604 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.686 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 9.5 tp10 -65.03 -56.02 15.53 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.014 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.725 HG13 HD21 ' B' ' 409' ' ' LEU . 3.5 p -62.67 -32.95 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.461 0.648 . . . . 0.0 109.852 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.2 tp60 -55.77 -53.48 56.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.43 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.747 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.7 OUTLIER -71.45 -26.13 62.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.092 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 58.9 mt -68.32 -52.62 35.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' B' ' 405' ' ' GLN . 31.0 tp -58.42 -38.62 77.81 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.737 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 13.3 t -71.98 -40.28 68.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.209 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.7 73.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 26.9 tp -66.11 -33.69 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.753 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.54 -41.95 95.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 110.171 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.95 -45.26 93.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.218 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.37 -31.8 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.479 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.545 ' HB2' HD11 ' B' ' 402' ' ' ILE . 47.8 tp -66.45 -44.06 83.85 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.437 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -80.4 -1.74 42.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.86 -43.01 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.83 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.635 -175.635 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.572 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.569 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -73.1 -17.17 61.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.695 0.247 . . . . 0.0 110.599 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m 61.4 -169.46 0.17 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.282 177.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t 70.57 15.97 7.03 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.743 0.783 . . . . 0.0 109.863 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.35 9.3 5.59 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -114.4 17.83 17.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.14 -170.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD23 HH22 ' B' ' 434' ' ' ARG . 39.2 tp -128.69 120.42 26.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -136.47 151.4 49.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -174.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -119.41 120.91 38.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.284 173.51 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.78 123.71 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.9 mt -104.84 127.47 59.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.678 -178.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.9 tpp -87.39 107.97 18.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.712 -178.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.2 126.81 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.432 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -173.03 24.11 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.078 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.776 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 23.2 t -94.6 -12.05 28.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.606 0.717 . . . . 0.0 110.041 -175.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.77 -73.35 0.39 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.49 -178.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 8.62 9.66 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.955 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.75 -8.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 122.665 -0.314 . . . . 0.0 110.922 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.64 90.81 0.18 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.761 -177.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -138.58 -77.71 0.36 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.794 0.331 . . . . 0.0 110.769 175.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 18.1 m -68.99 -40.74 78.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -175.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.54 88.12 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' OD1' ' A' ' 128' ' ' ASN . 89.6 mt -62.28 -49.85 74.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 111.175 -178.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.532 HG22 HG22 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -72.16 -33.74 67.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.959 -175.124 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 28' ' ' SER . 97.0 mt -61.47 -40.06 93.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.352 -0.139 . . . . 0.0 111.017 177.28 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -60.2 -44.66 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.343 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.8 -34.08 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.924 -175.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.471 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 45.8 mtm -96.59 -49.67 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -173.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -90.07 -8.08 52.3 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 67.61 13.71 9.34 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.911 0.757 . . . . 0.0 111.809 176.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -132.77 161.85 33.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.787 -177.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -85.02 133.45 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.536 ' HB ' HD12 ' A' ' 32' ' ' LEU . 3.2 p -55.71 112.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.573 0.701 . . . . 0.0 112.395 -173.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.88 -60.85 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.015 173.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -135.52 100.62 4.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -164.04 109.07 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.595 174.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.702 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 36.3 mt-10 -101.9 -63.76 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 86.2 Cg_exo -45.31 -79.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 123.439 2.759 . . . . 0.0 115.023 -164.751 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.443 ' HG1' ' C ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER 50.9 41.04 26.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.803 0.335 . . . . 0.0 111.077 -173.024 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -86.55 -58.18 2.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -178.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.52 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.09 135.66 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.211 0.529 . . . . 0.0 111.455 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 p -131.94 -173.07 3.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.206 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.471 ' CD2' ' HB3' ' A' ' 35' ' ' MET . 85.4 t80 -131.92 128.49 38.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.13 0.49 . . . . 0.0 111.156 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 52' ' ' ARG . 25.7 ttt180 -77.09 105.37 8.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.331 175.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -109.0 140.53 42.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.232 -175.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.534 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 24.7 ttmt -114.61 130.73 56.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 173.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.53 154.79 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.42 137.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.857 176.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -133.63 99.11 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.77 78.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.998 0.811 . . . . 0.0 111.548 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.12 -127.61 2.53 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.58 174.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.59 157.08 18.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.534 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 63.5 mt-10 -56.79 125.59 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 111.054 -175.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 13' ' ' ALA . 21.9 t -107.37 145.13 15.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.044 -175.383 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.97 122.02 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.029 0.442 . . . . 0.0 110.167 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.7 tt -109.27 114.87 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.654 0.74 . . . . 0.0 110.177 178.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.722 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 25.7 t0 -87.87 113.1 23.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.007 -177.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.532 HG22 HG22 ' A' ' 31' ' ' THR . 24.4 mm -108.51 135.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 0.0 112.339 -169.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.6 tp -131.5 123.7 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.122 171.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -98.74 82.09 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.436 HG21 ' HA ' ' A' ' 79' ' ' ARG . 24.6 m -60.94 142.32 56.53 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.249 -170.059 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.0 120.38 22.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.947 173.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 65.84 3.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.533 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.509 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -147.66 160.58 42.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.596 0.236 . . . . 0.0 110.773 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -92.21 -7.54 47.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.7 m-20 -57.97 -75.57 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.75 0.786 . . . . 0.0 110.414 175.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.509 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.8 m-85 -84.07 68.04 9.91 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.618 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.18 -23.68 62.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.532 177.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.592 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -66.77 -6.99 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.291 177.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.491 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.0 mt -107.96 -35.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HA ' HG21 ' A' ' 69' ' ' THR . 53.2 ttt180 -85.56 -64.94 1.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.0 -55.0 7.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.691 -173.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.592 ' CG ' ' HA ' ' A' ' 77' ' ' ALA . 1.5 m-20 -59.91 -24.47 64.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.253 -173.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' HE2' ' HE1' ' B' ' 413' ' ' HIS . 3.5 m-85 -90.41 -18.47 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.319 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.615 ' HB3' HG21 ' A' ' 114' ' ' VAL . 11.3 m-30 -72.94 1.23 9.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.549 HH11 ' HB ' ' A' ' 114' ' ' VAL . 29.9 mmt-85 -70.77 -62.41 1.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.227 0.537 . . . . 0.0 110.64 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -92.52 11.01 27.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.407 -174.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.05 122.56 5.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.496 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.487 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 38.7 mt-10 -86.36 -74.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.0 110.56 -178.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 128.74 9.3 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.385 -174.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HE1' ' HZ3' ' A' ' 115' ' ' LYS . 87.1 m-85 -115.36 117.33 30.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.989 0.423 . . . . 0.0 111.02 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.67 114.19 25.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.674 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.81 105.12 17.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.522 HG21 ' HB ' ' A' ' 126' ' ' VAL . 37.2 t -108.83 127.76 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.371 0.605 . . . . 0.0 111.782 -176.656 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -133.51 175.43 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.212 175.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t -129.72 143.08 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.651 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.9 -3.65 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.049 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.402 ' CG2' HD22 ' A' ' 132' ' ' LEU . 4.0 p -88.75 -15.11 35.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 110.904 175.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.99 102.56 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.252 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -63.49 -18.37 63.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.125 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.76 -52.99 24.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.487 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.776 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 2.0 p -61.47 -36.75 81.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -58.5 -40.56 83.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.345 175.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 m -75.07 -36.08 61.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.863 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.52 -15.81 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.287 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.3 p -54.05 -39.14 65.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 110.952 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.79 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.361 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.45 -46.06 84.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.1 m-85 -58.67 -47.55 84.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.238 176.706 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -56.29 -50.3 71.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.412 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -59.28 -40.09 85.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.561 -178.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' HG11 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -62.48 -36.27 81.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.262 -179.537 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.0 mt -62.1 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.77 -35.68 70.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.254 178.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -58.47 -39.72 80.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.634 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.1 m -90.6 -5.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.947 -175.29 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.502 ' HG3' HG22 ' A' ' 114' ' ' VAL . 54.1 mtmt -134.48 -108.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -178.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.66 4.69 1.92 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.461 0.704 . . . . 0.0 112.328 -174.174 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -113.42 -0.64 14.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.69 -179.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.68 -159.14 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.514 -174.128 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -78.12 -67.23 0.75 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 -176.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.538 ' HG2' ' HE3' ' A' ' 179' ' ' LYS . 49.4 tptt -163.62 111.82 1.21 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 111' ' ' ILE . 67.5 mt -72.33 113.39 20.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.8 Cg_endo -91.54 127.5 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.476 2.784 . . . . 0.0 111.986 176.048 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD22 ' HB2' ' A' ' 89' ' ' PHE . 81.7 mt -119.92 139.46 52.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 -178.229 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.736 HD11 ' HG2' ' A' ' 153' ' ' GLN . 6.9 tp -141.84 122.42 14.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.273 177.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.695 HG12 ' HD1' ' A' ' 154' ' ' TYR . 14.8 p -102.32 129.23 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.711 0.767 . . . . 0.0 110.486 -178.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.522 ' HB ' HG21 ' A' ' 92' ' ' VAL . 61.2 t -118.38 131.28 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 -173.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 92.16 1.13 Allowed Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 175.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.407 ' OD1' HD22 ' A' ' 30' ' ' LEU . 8.4 t30 -86.36 150.77 24.09 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.655 -0.32 . . . . 0.0 110.965 -173.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 71.11 72.91 0.19 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.385 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -89.86 3.68 52.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 172.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.16 62.43 0.92 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.81 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.564 ' O ' ' HG2' ' A' ' 134' ' ' GLU . 0.7 OUTLIER -161.94 -54.09 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.407 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 12.9 pt-20 50.88 -59.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.871 1.668 . . . . 0.0 114.556 -176.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.947 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 9.5 pt-20 -58.99 -24.36 62.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.112 0.565 . . . . 0.0 111.995 -178.175 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.947 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.0 mtt180 -110.95 27.14 9.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.476 -171.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.651 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.0 ttp180 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -82.35 -35.71 27.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 -175.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.98 126.46 27.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.478 -178.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.715 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 57.5 Cg_exo -53.18 122.6 11.46 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 111.927 177.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -75.51 -17.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -174.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.21 -40.35 86.43 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.986 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.715 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.5 pt-20 -80.92 -19.63 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.971 177.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.34 88.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 71.6 mtp180 -62.11 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.061 173.361 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 9.3 t -64.66 -25.11 67.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.943 -178.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 -54.4 38.95 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.056 0.455 . . . . 0.0 110.223 174.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.92 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.294 176.421 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 37.0 tt0 -58.62 -36.85 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.429 177.059 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -80.98 -39.13 26.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 110.721 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.459 ' HB2' HG23 ' A' ' 152' ' ' VAL . 51.5 m0 -73.03 -17.12 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.093 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.24 72.23 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.891 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 150' ' ' TRP . 30.0 m -110.53 -174.75 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 -177.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.736 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -106.49 150.73 25.81 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.538 179.002 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.695 ' HD1' HG12 ' A' ' 125' ' ' VAL . 43.0 t80 -121.43 120.12 34.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.411 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.16 121.56 57.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.62 143.69 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 174.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -140.12 167.98 20.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.274 0.559 . . . . 0.0 111.45 -172.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -135.92 116.37 13.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.692 174.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.09 -4.64 45.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 110.768 -179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.415 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 27.3 tptp -77.27 -44.99 27.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.188 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.466 HG22 ' HB2' ' A' ' 163' ' ' ALA . 9.0 t -111.37 11.15 21.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.653 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.79 31.19 20.06 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.876 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.466 ' HB2' HG22 ' A' ' 161' ' ' THR . . . -69.16 101.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.399 -175.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 61.93 21.23 12.15 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.841 0.713 . . . . 0.0 112.117 177.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 168' ' ' VAL . 75.5 t -68.29 -45.94 81.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.73 -33.73 76.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.21 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.79 -49.35 75.59 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.469 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 165' ' ' VAL . 34.6 m -57.31 -30.15 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.93 -46.53 35.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 177.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.437 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 32.1 m-85 -65.16 -51.51 60.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.61 -47.56 79.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 176' ' ' ILE . 50.0 tp -60.74 -45.54 93.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.518 -179.318 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.98 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.464 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.4 OUTLIER -66.04 -41.29 91.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.272 -0.171 . . . . 0.0 111.247 179.271 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.564 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 20.7 mt-10 -66.87 -35.91 81.1 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.632 176.839 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.6 mt -64.31 -28.77 45.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.562 177.388 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 181' ' ' MET . 40.4 mtt180 -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.69 176.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 20.5 m -61.42 -32.11 72.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 179.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.564 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 11.3 mptt -59.8 -46.79 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 175.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.79 -39.19 76.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.492 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.7 mtt -63.39 -36.27 83.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.664 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.7 m 69.61 144.78 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.18 0.925 . . . . 0.0 111.32 -176.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 65.68 175.46 0.22 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.785 -178.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 61.3 26.31 16.16 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.483 0.659 . . . . 0.0 110.049 -173.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.247 0.928 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.753 -175.809 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 18.2 m -75.52 170.49 16.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.732 0.266 . . . . 0.0 111.037 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.66 -46.18 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -177.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 35.3 m -66.98 -38.88 86.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 178.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 36.7 mt-30 -65.31 -31.31 72.38 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.744 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.2 69.9 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.48 -37.45 93.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.704 177.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.543 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -61.03 -51.87 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 177.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.565 ' HB3' ' HZ3' ' B' ' 399' ' ' LYS . 7.5 mtpm? -58.51 -43.71 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.519 -176.504 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.33 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.87 -37.59 79.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.557 HG12 ' HB3' ' B' ' 439' ' ' LEU . 81.5 mt -53.77 -52.81 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.582 173.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -58.94 -34.95 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 42.7 ttt180 -61.96 -47.3 85.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.498 ' NE2' HG22 ' B' ' 432' ' ' VAL . 14.6 mm100 -72.58 -30.81 64.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -178.336 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.47 -43.99 95.73 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -61.62 -49.64 75.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 176.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -59.69 -51.73 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.194 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.608 HD12 HG12 ' B' ' 432' ' ' VAL . 64.4 tp -65.52 -33.23 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.732 -179.351 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -61.6 -43.77 98.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.615 177.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -53.67 55.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.471 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -55.54 -35.07 65.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 177.361 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.592 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.5 m-70 -69.22 -39.41 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.649 177.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -77.53 -53.08 8.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.72 -56.43 21.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 111.661 -174.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.48 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 80.2 mt -64.33 -26.76 68.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.355 -176.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.592 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.0 tt0 -61.12 -29.2 69.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.139 -178.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -128.06 21.52 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 157.15 111.73 0.34 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.045 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.448 ' CD1' ' HB3' ' B' ' 416' ' ' LEU . 29.1 mm -79.79 124.8 38.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 O-C-N 122.498 -0.413 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -75.21 -52.06 11.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.113 0.958 . . . . 0.0 109.327 173.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.673 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 13.8 m-20 -148.2 151.25 35.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.443 -176.401 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.64 -25.29 67.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.171 0.51 . . . . 0.0 110.086 170.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.569 ' HA ' ' OE2' ' B' ' 427' ' ' GLU . 50.1 m -61.37 -29.94 70.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 176.27 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.673 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 69.9 mmtt -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.725 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 43.8 mt-10 -67.51 -39.13 85.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.55 0.69 . . . . 0.0 109.383 176.11 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.569 ' OE2' ' HA ' ' B' ' 424' ' ' SER . 34.5 mt-10 -59.74 -47.15 86.81 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.623 ' O ' HG13 ' B' ' 432' ' ' VAL . 47.6 mmt-85 -61.76 -31.86 72.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.448 178.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 7.0 mt -55.26 -56.34 21.08 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 123.35 0.406 . . . . 0.0 110.413 177.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -60.23 -37.45 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.571 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 60.7 mm-40 -68.7 -54.93 13.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.379 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.623 HG13 ' O ' ' B' ' 428' ' ' ARG . 7.3 p -65.18 -33.15 61.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.475 . . . . 0.0 110.496 -179.124 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.451 ' HA ' HD21 ' B' ' 409' ' ' LEU . 28.2 tp60 -55.58 -53.78 52.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.17 177.039 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 2.8 ptm180 -66.98 -27.4 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.526 -177.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' B' ' 432' ' ' VAL . 64.5 mt -74.32 -43.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -57.41 -45.59 84.41 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.842 178.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -72.79 -32.24 65.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.685 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.94 -38.78 92.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 175.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.882 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -64.98 -48.18 74.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.274 -178.716 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.23 -28.53 69.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.428 0.633 . . . . 0.0 109.973 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -67.29 -42.31 83.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.882 ' HD3' HD12 ' B' ' 439' ' ' LEU . 50.5 mtpt -58.52 -36.19 73.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.665 175.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.26 -38.38 83.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.506 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.53 -18.61 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.454 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.13 -38.77 24.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.726 0.298 . . . . 0.0 111.22 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.915 -177.76 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.415 ' N2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -108.97 -97.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -177.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 p -101.55 28.99 5.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -176.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t 57.98 76.22 0.34 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.474 0.655 . . . . 0.0 110.539 -177.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.43 6.54 17.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 110.196 179.133 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.05 0.94 54.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.658 0.742 . . . . 0.0 110.11 176.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 tp -127.56 106.03 8.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.733 -1.122 . . . . 0.0 109.205 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -101.77 153.65 19.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.196 0.522 . . . . 0.0 111.422 -176.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.3 tpmt? -124.6 103.85 8.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.768 179.545 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.479 ' HB ' HD12 ' A' ' 66' ' ' ILE . 64.9 t -115.45 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.518 0.675 . . . . 0.0 110.767 -173.495 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.92 119.93 53.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.54 -177.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 49.2 mtt -87.44 120.3 28.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.006 177.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 27.1 m -99.79 149.21 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.75 149.93 7.27 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -56.15 -62.74 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.269 0.557 . . . . 0.0 110.721 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.62 -75.29 0.68 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.718 178.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.841 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . -174.64 61.61 0.12 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.91 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.67 5.77 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.193 178.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.841 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 10.3 pttt -84.72 45.16 1.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.657 0.741 . . . . 0.0 110.636 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.3 m -152.68 -54.26 0.12 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.798 173.228 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' HB1' HO3' ' A' ' 500' ' ' GNP . . . -71.16 -39.76 71.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 111.313 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 159' ' ' ALA . 91.3 mt -65.8 -44.22 86.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.821 -178.311 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.566 HG23 ' HE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.75 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.3 -44.08 97.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.427 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -59.23 -46.33 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.916 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.23 -7.65 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.104 0.478 . . . . 0.0 111.91 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -109.26 -53.45 2.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.721 -0.612 . . . . 0.0 111.654 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.04 -12.52 19.64 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.341 0.401 . . . . 0.0 111.949 -172.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.7 18.31 11.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.456 0.646 . . . . 0.0 110.368 -173.062 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -128.71 154.75 46.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.587 -178.092 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -79.2 145.63 33.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 130.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.235 0.54 . . . . 0.0 111.211 -177.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.16 -69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.436 178.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.13 104.98 5.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.784 178.696 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -168.14 116.17 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.409 -175.18 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.83 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -117.96 -46.79 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.1 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.83 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 2.8 Cg_endo -46.06 127.48 10.65 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.492 2.128 . . . . 0.0 112.62 179.065 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.471 ' HG1' ' C ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -154.2 -27.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.462 177.799 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -53.42 -55.87 21.56 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -171.828 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.32 -24.43 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.076 0.465 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.6 76.89 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 48.3 m -91.13 171.34 9.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.844 -179.587 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' HE1' HG23 ' A' ' 31' ' ' THR . 1.0 OUTLIER -135.92 131.87 35.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.372 0.606 . . . . 0.0 112.122 -171.468 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -102.76 121.56 42.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.034 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -98.56 137.36 37.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.224 -179.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -107.82 125.56 51.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.145 173.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.06 146.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.61 118.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.18 0.514 . . . . 0.0 110.107 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -105.88 99.23 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.567 -176.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.17 16.52 8.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.996 173.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.42 -57.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.234 -1.46 . . . . 0.0 114.686 175.164 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.85 141.37 28.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.391 0.596 . . . . 0.0 111.788 -173.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.94 115.55 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.735 177.171 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.35 144.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.08 -177.29 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -113.31 134.87 54.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.305 0.574 . . . . 0.0 111.052 -174.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.663 HD11 ' SD ' ' A' ' 173' ' ' MET . 11.8 tt -135.11 120.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.911 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.5 131.87 53.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.359 -176.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.479 HD12 ' HB ' ' A' ' 17' ' ' VAL . 40.3 mm -114.41 126.91 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -173.509 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD22 ' CD2' ' A' ' 82' ' ' TYR . 15.8 tp -112.93 147.27 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' HB2' HG22 ' A' ' 46' ' ' THR . 7.3 t70 -105.69 116.93 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.867 176.747 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.534 ' OG1' ' HA ' ' A' ' 20' ' ' VAL . 21.0 p -87.28 179.46 6.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 111.906 -178.186 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.689 ' HB3' ' HE2' ' A' ' 47' ' ' LYS . . . -130.15 130.04 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.397 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.54 61.56 4.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.424 -178.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -160.08 170.81 20.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.353 0.261 . . . . 0.0 110.323 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -89.3 -13.2 38.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.44 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.6 m-20 -65.66 -62.68 1.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.486 . . . . 0.0 111.302 -177.049 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HB3' HG13 ' A' ' 78' ' ' ILE . 48.2 m-85 -82.53 62.0 5.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.178 -177.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.28 -26.38 68.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.504 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.89 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -77.66 -7.47 56.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.731 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.616 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 5.4 mt -106.76 -32.9 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.333 179.152 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -92.1 -66.41 0.93 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.62 -54.5 7.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.692 . . . . 0.0 111.248 -172.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.89 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 83.2 m-20 -65.64 -17.73 64.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.69 -172.404 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -91.78 -30.79 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.681 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -56.99 -27.84 61.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.986 0.422 . . . . 0.0 111.974 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.628 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 24.0 m -86.34 21.68 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.134 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.507 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.8 151.7 20.06 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.683 178.313 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.466 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -122.53 -39.0 2.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.572 0.186 . . . . 0.0 111.071 178.756 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 135.0 12.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.12 176.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.27 129.56 45.08 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 122.504 -0.409 . . . . 0.0 111.289 -178.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -115.86 123.34 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' A' ' 104' ' ' THR . 10.1 mp -97.4 108.66 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.631 176.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.36 114.77 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 0.0 110.897 -178.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -132.53 175.32 9.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.99 179.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -119.98 145.74 46.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.6 14.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.318 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.449 HG21 ' O ' ' A' ' 135' ' ' ARG . 6.0 p -108.66 -28.01 9.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 0.0 111.438 175.017 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -102.42 113.28 26.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.143 0.496 . . . . 0.0 110.178 178.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -74.9 -21.45 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.267 -178.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.64 -48.3 72.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.5 m -64.64 -25.4 67.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.068 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.19 -47.25 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 0.0 110.574 176.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 m -65.58 -29.96 70.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.469 177.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.47 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.191 -178.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.518 ' HA ' HD22 ' A' ' 91' ' ' LEU . 68.5 p -60.01 -41.54 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.017 0.437 . . . . 0.0 110.71 178.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.66 82.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 177.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.4 tp10 -61.62 -50.88 70.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.928 177.525 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.523 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.5 m-85 -58.76 -44.62 90.65 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 178.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -53.58 -55.47 25.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.74 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.27 -27.08 62.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.289 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -61.39 -46.82 88.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 110.041 177.188 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.4 mt -57.77 -51.33 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.044 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.14 -34.11 76.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.177 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -64.12 -36.25 83.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.931 -175.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.584 HG22 ' HG3' ' A' ' 115' ' ' LYS . 16.2 m -97.98 -13.12 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.574 -177.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HG3' HG22 ' A' ' 114' ' ' VAL . 27.6 mtpp -114.53 -106.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.119 -177.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.12 15.95 6.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.17 0.588 . . . . 0.0 112.285 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -118.49 13.87 13.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 109.901 179.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.412 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -94.23 -172.43 2.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.702 -176.421 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.57 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 13.9 t70 -81.17 -61.62 1.9 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.104 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.57 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 46.0 mmtm -142.66 156.09 45.01 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.46 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.503 HG22 HG21 ' A' ' 111' ' ' ILE . 67.3 mt -121.59 98.21 46.15 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 109.954 174.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.466 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 2.9 Cg_endo -81.5 115.29 2.83 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.57 2.847 . . . . 0.0 112.063 178.216 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.48 152.37 21.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.143 0.497 . . . . 0.0 110.473 178.104 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.725 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.4 tp -144.21 119.08 9.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.07 119.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.66 114.52 47.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.138 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.14 112.24 3.57 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.523 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -94.65 165.97 12.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.484 ' HD2' ' C2 ' ' A' ' 500' ' ' GNP . 13.8 mmmm 67.62 31.56 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.655 0.597 . . . . 0.0 109.8 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -62.41 -12.54 22.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.418 0.628 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.941 176.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.426 HD11 HG22 ' A' ' 96' ' ' THR . 86.1 mt -89.91 30.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.742 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.35 -24.35 64.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.102 0.41 . . . . 0.0 111.372 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.94 -14.51 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.449 ' O ' HG21 ' A' ' 96' ' ' THR . 97.1 mtt180 -127.14 9.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -175.196 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 112.03 1.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.173 0.511 . . . . 0.0 110.64 -174.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -100.88 -29.58 12.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.792 -178.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.39 116.71 67.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.528 174.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.595 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.2 Cg_exo -61.49 100.06 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.843 1.695 . . . . 0.0 109.757 172.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.466 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.4 p -69.52 -14.84 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.125 0.488 . . . . 0.0 110.674 -168.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -56.97 -41.88 79.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.621 176.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.9 pt-20 -78.38 -22.8 47.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.539 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.14 77.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 26.1 mtp180 -70.74 -35.56 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.761 174.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 t -63.28 -37.34 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.409 177.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 74.9 mmtt -55.81 -47.15 77.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.099 0.476 . . . . 0.0 110.199 175.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.53 76.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.652 -177.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.64 -44.5 90.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.62 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.219 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.25 -16.36 56.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.874 0.369 . . . . 0.0 111.071 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.16 29.12 59.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.792 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.42 -175.41 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 -178.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.725 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.7 pm0 -112.11 146.06 38.67 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.352 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -122.36 122.39 38.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.879 0.371 . . . . 0.0 110.437 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.88 139.2 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.37 132.77 45.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.0 p -134.33 174.73 10.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.118 0.485 . . . . 0.0 110.738 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.7 t -163.53 136.95 5.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.551 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.452 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -88.47 -3.74 58.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.208 0.528 . . . . 0.0 109.582 174.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.54 -23.34 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.665 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -123.73 -14.37 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.486 -177.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 63.97 74.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.25 -177.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.01 -161.09 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.665 -178.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -67.91 54.29 0.07 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.789 0.328 . . . . 0.0 111.398 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.1 t -69.08 -47.05 77.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 -179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.11 -35.03 79.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 -178.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.92 -47.84 84.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.611 -174.067 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.683 ' HB ' HD22 ' A' ' 124' ' ' LEU . 22.0 m -58.42 -30.11 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.488 0.185 . . . . 0.0 111.383 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -64.17 -56.14 16.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.513 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 68.1 m-85 -62.55 -38.56 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.203 -176.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -56.46 -50.89 70.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.71 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 176' ' ' ILE . 40.0 tp -64.99 -42.97 94.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.148 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.663 ' SD ' HD11 ' A' ' 64' ' ' ILE . 45.7 mtp -59.31 -33.71 71.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.04 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.552 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 12.2 mmt180 -75.45 -38.24 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.216 179.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.424 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 11.6 mm-40 -53.39 -36.54 61.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.265 0.555 . . . . 0.0 111.847 174.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.497 HD11 ' HA ' ' A' ' 173' ' ' MET . 58.1 mt -66.66 -24.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.657 -177.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.552 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 83.6 mtm180 -53.62 -51.34 63.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.846 0.355 . . . . 0.0 111.363 -179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.5 m -63.99 -31.67 72.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.883 -177.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 120' ' ' LYS . 13.2 mptt -68.87 -42.58 76.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.612 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -73.74 -45.61 50.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.701 -177.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.87 -40.48 60.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -177.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.9 t 63.39 -77.95 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.517 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -160.93 -70.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -175.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 52.23 45.93 27.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 110.454 -178.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.094 -179.623 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.9 m -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.648 0.379 . . . . 0.0 111.35 -174.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 0.0 110.593 -178.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.503 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.9 m -69.44 -42.04 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.66 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 90.5 mt-30 -57.99 -39.37 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.394 178.719 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.09 -51.62 65.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 177.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.07 -44.37 95.92 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.121 178.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.607 ' O ' HG13 ' B' ' 402' ' ' ILE . 38.4 mm -55.27 -50.67 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.563 0.221 . . . . 0.0 110.806 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 61.5 mtpt -61.53 -39.34 90.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.361 -177.059 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.404 ' CD ' HH21 ' B' ' 403' ' ' ARG . 9.1 mm-40 -65.59 -39.27 91.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.777 177.621 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 175.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.624 HG12 ' HG ' ' B' ' 439' ' ' LEU . 67.8 mt -60.77 -51.18 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 177.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.404 HH21 ' CD ' ' B' ' 400' ' ' GLU . 36.9 mtm180 -57.31 -35.17 69.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.497 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -67.64 -44.96 76.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.421 ' HB2' HD11 ' B' ' 436' ' ' LEU . 82.9 mm-40 -72.93 -35.43 67.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 0.0 110.456 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.456 ' HG2' HD23 ' B' ' 436' ' ' LEU . 55.0 mt-10 -65.46 -35.6 81.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.5 -49.82 76.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.381 173.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -44.86 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.437 HD21 ' HB ' ' B' ' 432' ' ' VAL . 2.3 tm? -61.92 -48.05 82.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.71 -44.82 90.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.886 177.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -53.85 49.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.243 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.564 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -52.57 -53.81 41.43 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.591 0.356 . . . . 0.0 111.875 176.857 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.29 -50.22 74.38 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -77.19 -30.07 54.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.759 -172.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.04 -49.62 64.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.304 0.573 . . . . 0.0 110.022 178.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 44.8 mt -70.22 -32.61 70.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.217 -177.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.423 ' CG ' ' H ' ' A' ' 77' ' ' ALA . 10.0 mt-30 -67.32 -9.84 45.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.836 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.14 -9.72 86.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.146 175.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.16 17.01 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.854 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.1 mt -102.97 129.51 54.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.86 137.32 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.959 0.885 . . . . 0.0 112.379 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.9 t70 -148.76 171.66 15.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.271 177.411 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 0.2 OUTLIER -72.94 -24.75 60.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 118.916 0.78 . . . . 0.0 109.786 174.306 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 m -65.24 -38.55 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.201 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.724 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -70.42 -34.91 73.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.7 -172.734 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.724 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -72.98 -37.28 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.638 0.256 . . . . 0.0 110.311 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.15 -43.57 91.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.525 175.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.575 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.41 -37.13 82.61 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.937 -179.191 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' B' ' 412' ' ' LEU . 11.0 mt -56.64 -56.35 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.803 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.635 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 67.3 m95 -61.72 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.376 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 5.3 mm-40 -63.73 -54.32 37.26 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.2 177.382 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.1 t -56.49 -35.96 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.891 0.853 . . . . 0.0 108.962 177.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.415 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 28.3 tp60 -60.73 -58.72 7.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.408 -177.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.78 -26.53 65.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.727 -177.622 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.97 -52.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 173.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' B' ' 406' ' ' GLU . 26.9 tp -61.76 -44.83 96.12 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.041 -177.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.586 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.6 t -65.37 -40.82 94.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.034 -175.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.57 -36.21 80.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.624 ' HG ' HG12 ' B' ' 402' ' ' ILE . 31.4 tp -67.49 -37.0 82.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.372 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -62.71 -39.68 94.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.442 0.639 . . . . 0.0 109.691 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 2.7 tmt_? -66.97 -40.88 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.208 177.07 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -57.95 -31.96 67.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.083 176.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.499 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.6 tp -63.86 -43.64 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.371 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -80.65 -3.52 50.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.422 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -99.53 -30.79 11.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 110.491 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.474 -177.632 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.533 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.569 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.047 -0.421 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.421 HE22 ' HG2' ' A' ' 181' ' ' MET . 18.6 mt-30 61.16 63.09 1.28 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.25 0.547 . . . . 0.0 110.63 -177.06 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 67.48 -88.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.449 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.42 ' O ' ' HE2' ' A' ' 180' ' ' LYS . 30.9 t -173.84 94.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.67 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HB3' ' HG3' ' A' ' 180' ' ' LYS . 1.1 pt? -125.2 -2.4 7.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.844 173.475 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.76 -10.19 59.22 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.097 0.951 . . . . 0.0 109.599 173.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 7.7 mp -119.4 135.75 54.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.621 171.276 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -120.49 118.04 29.23 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.079 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' N ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -96.11 107.54 19.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.915 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.18 124.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.577 0.703 . . . . 0.0 111.417 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mt -113.31 128.75 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.532 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.6 mtt -89.9 104.57 17.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.247 0.546 . . . . 0.0 109.847 174.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.58 HG21 HD22 ' A' ' 91' ' ' LEU . 6.3 m -100.02 95.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.769 0.795 . . . . 0.0 111.978 -174.4 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -108.35 174.22 18.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 169.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.693 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 11.7 p -73.81 -95.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.748 0.774 . . . . 0.0 110.269 -174.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -52.55 12.99 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 173.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.896 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 164.33 102.34 0.17 Allowed Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.009 175.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 93' ' ' PHE . 57.1 t -92.51 -82.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.767 0.317 . . . . 0.0 110.295 177.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -121.01 12.73 9.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.907 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.896 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 51.5 pttt -72.39 -20.09 61.5 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.391 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -96.35 -31.18 13.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.338 172.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.57 -52.48 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.251 -174.893 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.878 HD12 HD22 ' A' ' 128' ' ' ASN . 83.1 mt -70.82 -35.72 72.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -170.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -66.16 -41.23 90.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -175.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.05 -34.91 77.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 177.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.951 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.0 mm-40 -64.24 -46.16 84.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.364 179.077 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -70.69 -22.29 62.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.508 ' SD ' ' HB2' ' A' ' 51' ' ' TYR . 52.2 ttm -88.33 -52.74 5.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.265 -175.022 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -121.75 -6.66 9.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -175.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 68.38 8.15 6.44 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.05 140.94 32.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 110.466 -179.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.951 ' HA ' HE22 ' A' ' 33' ' ' GLN . 81.6 t80 -76.77 135.15 38.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -69.77 106.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 111.428 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.71 -48.14 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -155.86 94.84 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.036 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -152.22 105.12 3.02 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.737 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.9 mm-40 -100.89 -41.81 0.22 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.3 Cg_endo -44.78 116.76 1.25 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.686 2.257 . . . . 0.0 113.037 176.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.01 29.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.298 176.484 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -86.6 -57.81 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.965 -173.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.88 -2.01 7.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.306 0.574 . . . . 0.0 110.557 175.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.29 122.21 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.712 0.768 . . . . 0.0 110.956 -176.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 t -143.41 170.46 15.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 91.6 m-85 -134.6 136.05 42.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -171.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -75.45 106.19 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 -177.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -101.34 135.54 42.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 37.3 ttmt -109.82 140.05 44.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.53 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.63 -179.53 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.2 p -152.32 114.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.764 -0.585 . . . . 0.0 111.658 172.504 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.35 96.05 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 18.79 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 125.096 1.497 . . . . 0.0 113.909 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.12 -106.75 0.3 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.896 -178.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.8 pt-20 -103.51 151.55 22.73 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 94.1 mt-10 -62.47 120.75 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.379 0.609 . . . . 0.0 110.79 -178.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.26 144.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.314 -174.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 59.9 mt-30 -113.49 136.33 52.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.154 -177.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 HD12 ' SD ' ' A' ' 173' ' ' MET . 19.7 tt -113.85 140.75 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -115.29 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.96 -174.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.34 135.95 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.855 -175.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.6 tp -132.05 135.08 46.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.748 172.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -100.87 166.32 10.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 p -131.96 132.86 43.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -173.078 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 102.32 8.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.693 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -89.58 77.9 1.64 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.418 -172.403 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD12 ' H ' ' A' ' 75' ' ' TYR . 1.4 pp -155.51 170.18 22.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.507 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.62 -38.86 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.703 0.627 . . . . 0.0 112.346 -173.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.97 -68.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.121 -175.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.771 ' HB3' HG12 ' A' ' 78' ' ' ILE . 50.9 m-85 -79.96 62.1 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.276 -171.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.97 67.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.675 . . . . 0.0 110.204 174.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 81' ' ' ASN . . . -74.89 -6.78 51.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.823 -178.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.771 HG12 ' HB3' ' A' ' 75' ' ' TYR . 15.2 mm -96.85 -41.61 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -92.11 -65.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.048 0.452 . . . . 0.0 111.757 -173.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.82 -33.0 62.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.56 0.695 . . . . 0.0 110.974 -170.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.708 HD22 HD22 ' B' ' 416' ' ' LEU . 53.7 t30 -76.97 -19.51 57.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.915 -173.771 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' OH ' HD11 ' B' ' 409' ' ' LEU . 4.6 m-85 -94.17 -13.03 27.12 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.425 ' HB2' HG21 ' A' ' 114' ' ' VAL . 16.6 m-85 -62.02 -22.97 66.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.223 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -51.65 -61.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.024 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.3 m -93.02 25.7 3.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -175.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.68 174.17 51.14 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.906 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 45.7 tt0 -141.59 -70.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -176.002 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.61 13.61 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.627 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.01 127.56 48.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.128 0.49 . . . . 0.0 111.267 -176.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 HD22 ' HB3' ' A' ' 124' ' ' LEU . 91.5 mt -107.55 111.2 23.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.136 176.398 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 20' ' ' VAL . 96.0 mt -79.02 106.87 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' A' ' 126' ' ' VAL . 14.9 m -111.8 114.67 47.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 0.0 111.092 -176.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.408 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -133.16 171.88 13.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.963 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -109.7 130.28 55.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.63 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -8.89 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.306 0.574 . . . . 0.0 110.119 -179.151 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.547 HG21 ' CD2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.78 -40.4 48.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.05 -179.419 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -101.66 109.44 21.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.64 -26.1 67.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.138 0.494 . . . . 0.0 110.082 177.068 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.66 -47.52 84.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.45 175.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 m -59.33 -35.82 74.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.83 -35.19 78.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.227 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 m -66.34 -27.38 67.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.126 0.489 . . . . 0.0 111.309 -176.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.53 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.115 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.7 p -57.11 -40.41 77.01 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.83 -177.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.36 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.55 -48.46 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.081 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.413 ' O ' HG13 ' A' ' 111' ' ' ILE . 15.4 m-85 -57.73 -45.04 86.35 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.242 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -55.51 -52.34 64.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 -177.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.9 mt-10 -62.07 -45.5 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.637 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.451 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -55.92 -39.82 72.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.558 0.218 . . . . 0.0 110.952 179.264 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.4 mt -65.22 -52.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.806 177.743 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.18 -37.03 81.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.202 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 98.9 mtt180 -67.78 -32.61 73.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 110' ' ' GLN . 32.6 m -97.97 -13.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.28 -87.4 0.48 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.167 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.47 -68.06 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.968 0.907 . . . . 0.0 113.248 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -84.48 44.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 111.933 -172.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.0 171.15 8.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.58 -68.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.572 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.575 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 73.3 mmtt -151.76 131.6 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.83 98.32 9.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 73.2 Cg_endo -90.19 130.95 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.263 2.642 . . . . 0.0 112.442 -178.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.527 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.9 mp -127.03 137.76 53.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.501 . . . . 0.0 110.743 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.628 HD12 ' HG2' ' A' ' 153' ' ' GLN . 6.8 tp -123.66 119.8 30.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 91' ' ' LEU . 14.3 t -89.64 121.47 39.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.106 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.8 t -105.35 125.81 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.79 -176.578 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.47 91.42 1.42 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.901 177.196 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.878 HD22 HD12 ' A' ' 30' ' ' LEU . 20.6 m120 -83.21 167.22 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.427 0.156 . . . . 0.0 110.739 -178.217 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.6 mmmt 64.98 14.92 9.66 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.929 0.768 . . . . 0.0 111.319 179.267 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -71.56 -7.67 49.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.991 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -86.27 17.47 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.595 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.556 HD22 ' HB2' ' A' ' 135' ' ' ARG . 2.8 tp -94.48 -51.53 4.72 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 71.14 -56.62 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.986 0.914 . . . . 0.0 112.39 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.12 -55.7 5.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HB2' HD22 ' A' ' 132' ' ' LEU . 72.7 mtt180 -115.21 47.83 1.25 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.043 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -63.9 112.27 2.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -88.36 -27.46 21.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.75 110.71 59.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 179.173 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.68 115.06 2.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.302 2.001 . . . . 0.0 110.409 173.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 21.2 t -59.62 -26.1 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.066 -175.127 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.33 -56.67 17.38 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.15 -21.94 55.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.743 0.306 . . . . 0.0 111.089 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 140' ' ' VAL . . . -65.86 -41.55 91.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.029 0.442 . . . . 0.0 110.224 175.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 48.1 mtp180 -71.65 -31.84 67.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.138 177.156 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.7 t -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.6 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.3 mmtp -65.82 -29.94 70.49 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.029 178.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.14 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 175.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -65.91 -36.2 82.74 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.733 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.1 -39.9 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.831 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -98.27 0.3 45.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.095 -175.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.07 38.49 88.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 25.8 m -126.08 -175.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -177.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.628 ' HG2' HD12 ' A' ' 124' ' ' LEU . 12.6 pm0 -112.97 153.07 28.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.157 176.055 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.416 ' HE2' HG12 ' A' ' 140' ' ' VAL . 94.0 t80 -122.5 125.76 46.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.608 177.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.6 133.0 62.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.101 -179.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.07 130.6 34.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 30.6 m -134.88 130.07 35.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.444 0.64 . . . . 0.0 111.339 -177.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 162' ' ' ARG . 10.2 p -106.8 132.64 52.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.853 178.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.93 -11.86 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.73 -176.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.459 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 26.2 tptp -85.04 -49.79 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.111 0.481 . . . . 0.0 109.87 178.637 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.41 -24.04 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.315 174.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 158' ' ' SER . 70.6 mtm180 65.48 85.49 0.14 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.509 179.075 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.45 135.04 29.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 69.02 10.9 8.15 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.79 0.681 . . . . 0.0 111.501 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.414 HG11 HD21 ' A' ' 30' ' ' LEU . 94.9 t -66.83 -43.83 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.281 -178.159 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.64 -49.75 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 26.8 m -60.29 -25.71 34.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -175.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -75.66 -57.38 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.398 176.135 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.402 ' HA ' ' HB2' ' A' ' 173' ' ' MET . 66.6 m-85 -66.38 -33.32 75.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.3 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.54 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.282 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 122' ' ' PRO . 35.3 tp -73.11 -35.32 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.638 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.492 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.9 mtp -63.14 -30.84 71.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.561 -178.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 20.4 mmm180 -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.748 176.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.723 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 23.4 mt-10 -62.43 -35.17 78.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.836 176.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.47 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mt -55.93 -25.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.26 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -71.23 -49.37 44.01 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.3 m -62.72 -29.7 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.264 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.723 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 34.5 mmtt -66.77 -46.09 76.45 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.08 0.467 . . . . 0.0 110.021 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.469 ' HG3' ' HB3' ' A' ' 12' ' ' LEU . 44.4 mmtm -74.66 -35.7 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.267 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.421 ' HG2' HE22 ' A' ' 9' ' ' GLN . 62.2 mtt -85.49 1.81 47.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -175.162 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 67.8 m -44.57 -38.65 4.36 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -175.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -92.12 107.19 19.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -98.08 8.0 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.45 177.544 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 41.4 p -176.26 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -176.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 0.0 OUTLIER -51.33 -46.63 62.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.837 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m -73.24 -42.87 62.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.032 0.444 . . . . 0.0 110.794 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.419 ' HG2' ' HB1' ' B' ' 446' ' ' ALA . 42.6 mt-30 -66.05 -27.13 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.39 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.11 -54.91 33.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.619 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.95 -34.84 91.01 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.824 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.573 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.6 mm -64.54 -53.51 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.541 178.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.2 mttt -58.31 -43.66 88.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.419 -177.136 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 49.4 mm-40 -74.5 -37.27 63.16 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.272 176.089 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.652 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.6 mt -55.64 -53.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.49 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.4 mmm180 -62.93 -33.51 75.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.114 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.659 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 44.0 ttt180 -59.72 -52.25 66.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 176.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 66.9 mm-40 -73.45 -32.15 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.618 -176.711 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 48.7 mt-10 -60.16 -43.43 95.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.617 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.87 -43.31 75.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.831 177.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.4 mt -60.57 -52.22 66.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.094 -178.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.549 HD12 HG11 ' B' ' 432' ' ' VAL . 55.4 tp -66.63 -32.72 74.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -62.39 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.255 175.346 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.1 t -59.85 -51.88 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.535 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -51.94 -43.17 63.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 175.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.536 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 12.9 m170 -67.97 -38.23 82.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.67 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -77.6 -52.43 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.75 -53.57 56.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 111.611 -176.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.708 HD22 HD22 ' A' ' 81' ' ' ASN . 1.9 mp -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.337 -175.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.3 tt0 -67.38 -11.98 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.011 -176.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.18 5.96 84.19 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.341 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.77 9.25 57.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.269 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.93 126.98 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -133.24 144.09 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.93 0.872 . . . . 0.0 112.37 -177.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.7 t70 -151.53 168.61 24.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 173.062 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.63 -30.0 63.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.807 0.813 . . . . 0.0 109.254 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.3 m -68.08 -32.15 72.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.325 -178.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.729 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.09 -37.03 72.43 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.351 -172.858 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.729 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.4 pt-20 -74.36 -44.39 52.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.88 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 176.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.472 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.2 mmt180 -65.5 -39.48 91.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.019 175.537 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 10.1 mt -55.41 -52.68 62.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.577 0.548 . . . . 0.0 111.831 -176.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.604 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 86.9 m95 -70.77 -44.67 66.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.398 -176.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.403 ' O ' HG13 ' B' ' 435' ' ' ILE . 9.2 mm-40 -60.25 -52.72 64.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.768 -178.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.6 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.3 p -62.19 -34.04 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.43 -48.13 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.149 176.142 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.604 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.3 mpt_? -68.08 -39.74 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.767 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.6 HD11 ' HA ' ' B' ' 432' ' ' VAL . 34.8 mt -62.24 -42.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 178.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' B' ' 406' ' ' GLU . 2.8 tm? -57.78 -48.42 79.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.132 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.459 HG21 ' HA ' ' B' ' 434' ' ' ARG . 14.5 t -74.13 -32.49 63.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.966 -176.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.72 -36.12 82.71 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 109.949 175.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.652 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -62.18 -50.2 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.964 176.687 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -63.17 -29.2 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.319 0.58 . . . . 0.0 110.751 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -68.61 -46.0 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.464 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.6 mmmm -64.42 -27.84 69.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 177.555 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.646 ' HB2' HD13 ' B' ' 402' ' ' ILE . 65.6 tp -60.66 -46.13 91.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -81.9 -5.98 58.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.997 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.464 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.9 tp10 -93.23 -10.58 35.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.282 0.563 . . . . 0.0 110.169 177.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.419 ' HB1' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.987 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.574 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' A' ' 181' ' ' MET . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.356 -0.298 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 181' ' ' MET . 28.7 pt20 -149.14 167.93 24.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -86.9 -30.56 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.184 0.516 . . . . 0.0 110.54 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -81.8 91.75 6.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.651 -178.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD22 ' HE3' ' A' ' 180' ' ' LYS . 63.9 mt -108.41 -68.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.233 -178.415 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.0 14.54 3.44 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 175.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 60.8 tp -150.97 148.22 28.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -137.5 143.27 41.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.664 ' CG ' ' HA2' ' A' ' 86' ' ' GLY . 13.3 tppt? -117.99 107.39 13.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.226 0.536 . . . . 0.0 111.348 174.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 26.9 m -117.65 138.19 49.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.778 173.289 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 ' HB ' ' CD2' ' A' ' 89' ' ' PHE . 70.4 mt -127.85 126.01 65.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.218 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.451 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 59.8 mtt -93.24 135.42 34.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 m -132.5 143.61 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.309 176.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.44 83.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.744 -177.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.516 ' H ' ' HZ ' ' A' ' 107' ' ' PHE . 46.1 m 56.75 -154.38 0.34 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.037 0.492 . . . . 0.0 110.041 -177.31 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.43 -48.26 55.04 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.868 175.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.749 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 170.31 63.92 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.605 175.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.7 t -51.44 -67.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 O-C-N 123.949 0.44 . . . . 0.0 112.054 -176.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.22 3.93 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.155 -176.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.749 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 21.2 pttp -87.46 38.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.618 0.723 . . . . 0.0 111.586 -173.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -141.96 -44.07 0.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.161 173.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.35 48.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.73 -36.45 81.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.28 0.562 . . . . 0.0 110.59 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -49.73 67.91 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.219 -177.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 40' ' ' VAL . 20.8 tp -62.58 -35.76 80.54 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.061 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 57.2 mm-40 -56.47 -47.09 79.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.247 0.546 . . . . 0.0 110.868 176.151 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -72.93 -31.42 64.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 55.1 mtm -86.44 -56.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -110.77 -0.57 16.97 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.541 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t70 69.51 16.54 8.14 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 177.126 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -116.96 150.66 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.283 -177.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.08 150.81 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' HA ' HD22 ' A' ' 32' ' ' LEU . 6.5 p -71.81 102.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.895 0.855 . . . . 0.0 112.453 -173.306 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -101.0 -40.99 6.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.604 174.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.03 117.69 9.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.845 -177.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -171.58 91.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.774 173.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 53.1 mm-40 -78.77 -45.85 1.86 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.89 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 Cg_endo -59.71 104.36 0.22 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.636 1.558 . . . . 0.0 111.394 173.105 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 44' ' ' GLU . 9.1 t -156.11 13.64 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.253 -176.463 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -85.17 -59.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.375 -177.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.53 -5.48 5.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.384 173.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.54 145.73 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.522 -173.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.6 p -142.29 161.82 37.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.169 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 61.4 t80 -140.91 138.93 34.22 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.21 121.31 41.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.209 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -98.02 133.06 43.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.15 -177.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -93.77 122.77 36.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.341 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.22 143.86 34.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.545 174.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -120.83 126.1 74.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.041 0.448 . . . . 0.0 110.351 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -108.52 95.98 6.03 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.231 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 46.67 31.31 1.36 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.217 0.948 . . . . 0.0 112.617 175.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.26 -109.47 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.816 -1.183 . . . . 0.0 114.011 -174.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 56' ' ' VAL . 8.8 pt-20 -101.96 152.72 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -175.011 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -70.77 117.55 12.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.18 0.514 . . . . 0.0 109.875 178.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.25 147.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.477 -174.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 26.3 mt-30 -113.02 129.92 56.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.319 0.581 . . . . 0.0 110.605 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.537 HD12 ' SD ' ' A' ' 173' ' ' MET . 8.3 tt -111.64 122.13 65.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.372 175.08 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CG ' ' HZ2' ' A' ' 16' ' ' LYS . 25.6 t0 -99.72 110.85 23.23 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.22 138.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.69 0.281 . . . . 0.0 110.49 -174.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.685 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 50.6 tp -116.63 132.71 56.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.617 -177.778 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -101.43 111.24 23.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 p -83.73 159.9 21.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.76 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 110.74 21.53 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 173.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.54 65.34 4.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.708 -178.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -153.0 168.56 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 110.767 179.063 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.81 -21.12 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.7 -177.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.426 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.1 m-20 -58.98 -72.46 0.1 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.509 0.671 . . . . 0.0 111.395 -177.236 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' HG13 ' A' ' 78' ' ' ILE . 87.1 m-85 -80.61 68.34 6.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.061 -174.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.75 65.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -69.68 -7.21 37.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.268 178.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 75' ' ' TYR . 49.0 mt -102.04 -22.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.0 109.826 176.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 110' ' ' GLN . 21.8 mtt180 -87.87 -65.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.25 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.49 -51.51 62.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.37 -170.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 56.1 m-20 -69.41 -48.08 62.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.02 -173.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -66.5 -29.81 70.0 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.846 -175.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.431 ' CB ' HG22 ' A' ' 114' ' ' VAL . 9.2 m-30 -69.04 -31.59 70.49 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -174.738 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -59.37 -44.54 92.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.843 0.354 . . . . 0.0 111.397 -176.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.502 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 29.8 t -82.91 19.21 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -178.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.664 ' HA2' ' CG ' ' A' ' 16' ' ' LYS . . . -95.43 151.67 20.1 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.442 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.519 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 34.5 mt-10 -112.21 -68.95 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 17' ' ' VAL . . . -106.31 149.34 16.63 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CD2' ' HB ' ' A' ' 18' ' ' ILE . 83.1 m-85 -129.52 148.09 51.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.107 0.479 . . . . 0.0 111.014 -176.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.471 HD21 ' HB3' ' A' ' 124' ' ' LEU . 82.7 mt -118.23 113.71 21.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.682 -178.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.823 HD12 HG21 ' A' ' 125' ' ' VAL . 45.5 mt -86.95 106.85 18.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.717 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 126' ' ' VAL . 20.3 m -111.67 115.65 50.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.429 0.633 . . . . 0.0 111.631 -175.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -139.37 159.44 42.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.468 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.474 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 13.6 p -111.96 141.86 45.08 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.136 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.34 14.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.814 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.501 HG21 HD23 ' A' ' 132' ' ' LEU . 32.0 p -102.1 -21.07 14.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 0.0 109.649 174.15 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 15.2 mm-40 -105.56 113.32 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.14 -176.402 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -71.81 -26.82 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.24 -57.88 10.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' HB1' ' A' ' 103' ' ' ALA . 11.9 p -67.54 -26.44 66.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -175.376 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.55 -49.46 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.573 176.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 m -72.11 -29.1 63.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.386 0.613 . . . . 0.0 110.373 177.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 100' ' ' SER . . . -70.1 -15.37 62.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.056 -178.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 100' ' ' SER . 41.3 p -57.62 -39.01 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 179.21 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.68 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.55 177.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -70.7 -45.71 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.919 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.516 ' HZ ' ' H ' ' A' ' 22' ' ' SER . 19.3 m-85 -57.5 -49.81 75.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.11 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -54.44 -57.42 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.84 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 35.1 mt-10 -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.381 -177.096 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 7.2 tp-100 -71.25 -32.78 69.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.181 0.515 . . . . 0.0 110.401 178.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.58 HG21 HD13 ' A' ' 121' ' ' ILE . 67.7 mt -73.83 -42.45 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.468 178.128 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 121' ' ' ILE . 6.7 mp -77.49 -5.2 49.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.212 0.529 . . . . 0.0 110.516 176.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 109' ' ' GLU . 19.3 tpp180 -78.5 -27.46 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.509 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.4 m -109.25 -25.2 3.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.959 -177.15 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 28.4 mtmt -125.5 154.65 41.77 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.847 0.356 . . . . 0.0 110.115 -178.021 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.112 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.23 4.62 24.9 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -59.56 -63.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 176.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.407 ' OD1' ' HD2' ' A' ' 179' ' ' LYS . 11.2 t70 -161.22 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 171.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.21 179.04 7.78 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 172.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.58 HD13 HG21 ' A' ' 111' ' ' ILE . 76.6 mt -127.44 100.44 25.9 Favored Pre-proline 0 C--N 1.308 -1.226 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.387 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.432 ' HB2' HD11 ' A' ' 172' ' ' LEU . 5.2 Cg_exo -77.61 108.17 2.52 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.3 2.667 . . . . 0.0 111.84 178.439 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 121' ' ' ILE . 4.2 mp -106.09 121.53 44.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.05 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -104.69 117.46 34.15 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.018 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.823 HG21 HD12 ' A' ' 91' ' ' LEU . 14.3 t -84.99 114.67 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.96 -178.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.597 ' HB ' HG13 ' A' ' 92' ' ' VAL . 43.7 t -108.78 109.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.524 -177.192 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.87 93.57 1.76 Allowed Glycine 0 CA--C 1.507 -0.447 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 176.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -88.97 166.1 14.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -175.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.542 ' HA ' ' OD2' ' A' ' 131' ' ' ASP . 9.9 mptt 63.9 58.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 -171.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.8 m -84.89 8.14 18.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.71 0.766 . . . . 0.0 109.153 170.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.542 ' OD2' ' HA ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -77.85 -21.61 51.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.668 -176.087 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -80.81 -54.66 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.683 -178.049 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 65.24 -74.26 0.05 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.713 0.805 . . . . 0.0 112.037 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.82 -12.52 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.11 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.612 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 57.1 mtt180 -86.07 9.69 16.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.906 0.384 . . . . 0.0 110.3 178.094 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.97 113.43 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.343 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -103.38 -18.97 14.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.176 0.513 . . . . 0.0 110.394 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.08 121.56 31.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.786 176.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.03 108.29 0.29 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -72.84 -13.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.846 -176.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -56.88 -47.26 80.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.251 178.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.43 -24.42 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.758 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.8 75.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.101 0.477 . . . . 0.0 110.196 175.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.9 mtp180 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.999 174.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 15.4 t -68.78 -25.3 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.82 -178.073 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -63.2 -43.23 98.76 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.291 -0.256 . . . . 0.0 111.588 171.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.618 . . . . 0.0 109.597 174.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.478 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 32.4 tt0 -59.95 -38.35 82.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.888 175.437 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.84 -44.62 93.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.103 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -88.79 -8.52 54.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.895 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.63 38.52 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.518 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.68 -172.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.521 0.201 . . . . 0.0 110.946 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.678 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.2 pm0 -108.56 147.46 31.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -117.68 126.3 52.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.647 174.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.43 120.43 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -84.11 134.37 34.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.7 p -126.21 130.29 50.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.409 0.624 . . . . 0.0 112.392 -175.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.9 t -93.95 110.74 22.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 171.756 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.745 ' HB3' HN21 ' A' ' 500' ' ' GNP . . . -91.32 -3.85 56.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.354 -173.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -96.06 -12.55 24.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.293 178.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.2 p -126.59 -8.78 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.361 0.601 . . . . 0.0 109.982 -177.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 62.99 77.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.584 -175.391 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -126.8 123.87 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.022 177.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 68.12 10.96 8.16 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.135 0.897 . . . . 0.0 111.528 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.6 t -72.01 -49.31 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 110.272 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.84 -30.5 71.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.574 179.337 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 60.5 tttp -60.33 -56.29 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.826 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.71 -27.14 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -74.63 -54.89 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.033 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -70.33 -34.77 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.329 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.5 OUTLIER -58.84 -51.37 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.347 -177.933 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 122' ' ' PRO . 49.7 tp -71.93 -37.4 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.577 -178.097 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.537 ' SD ' HD12 ' A' ' 64' ' ' ILE . 46.1 mtm -58.41 -30.17 66.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.913 -178.644 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.427 ' HD3' ' HA ' ' A' ' 174' ' ' ARG . 15.8 mmt180 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.048 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.04 -30.32 71.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.897 0.38 . . . . 0.0 110.531 177.244 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.3 mt -62.13 -36.9 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 176.174 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -59.86 -44.5 94.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.5 m -62.72 -32.19 73.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.407 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 68.2 mmtt -69.83 -37.63 76.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.096 0.474 . . . . 0.0 111.262 177.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.595 ' HE3' HD22 ' A' ' 12' ' ' LEU . 26.6 mtpp -76.0 -30.15 58.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.09 0.471 . . . . 0.0 110.438 177.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.482 ' C ' ' HA3' ' A' ' 8' ' ' GLY . 75.2 mtm -87.97 -0.34 56.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.461 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 75.7 m -43.26 116.3 0.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -174.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 70.1 125.29 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.795 174.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -116.85 17.73 14.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.76 173.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt . . . . . 0 C--O 1.247 0.962 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.296 -177.03 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.585 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.0 p -66.51 -31.93 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -176.697 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.4 -36.1 82.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 110.696 178.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.485 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.3 m -73.21 -37.44 66.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 177.59 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.585 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 90.5 mt-30 -60.24 -31.65 70.4 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.226 -179.179 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.73 63.99 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 110.665 178.208 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -66.48 -39.39 94.03 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.017 178.283 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.601 HD13 ' HB3' ' B' ' 442' ' ' LYS . 50.0 mm -59.31 -51.3 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.299 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.11 -39.22 78.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.174 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.58 -43.69 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 176.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.471 ' HB2' HD11 ' B' ' 439' ' ' LEU . 53.5 mt-10 -65.97 -44.05 86.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.627 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.0 mt -53.46 -54.22 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.566 179.003 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.3 -29.31 68.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.733 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.22 -52.69 63.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.42 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.0 mm-40 -66.59 -28.29 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -177.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.53 -41.32 89.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.073 173.193 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -67.86 -52.12 40.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 178.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.409 ' O ' HD21 ' B' ' 412' ' ' LEU . 7.4 mp -56.41 -46.45 80.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.526 HD11 HD13 ' B' ' 429' ' ' LEU . 26.9 tp -66.04 -37.42 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 110.259 179.011 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.41 -37.88 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.151 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 15.6 t -59.47 -53.02 62.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.449 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.409 HD21 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -57.26 -36.56 71.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.103 0.478 . . . . 0.0 110.774 175.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.685 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.6 m-70 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.693 -178.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -78.01 -44.53 26.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -59.48 -54.74 43.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 -175.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -70.89 -25.98 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.335 -175.214 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.685 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.4 tt0 -64.5 -16.64 62.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 -176.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.11 0.42 67.32 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.908 178.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 -3.99 34.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.503 176.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.634 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 11.4 mt -107.53 135.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 166.48 32.62 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.263 170.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.638 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 17.8 t70 -147.99 159.57 43.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.472 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 0.5 OUTLIER -64.2 -29.43 70.54 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.434 -175.473 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -64.55 -39.57 93.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 0.0 109.661 177.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.638 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 17.1 mttt -73.62 -43.47 59.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.793 -175.205 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 38.4 mt-10 -58.68 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -178.09 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.22 -34.86 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -68.3 -33.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.139 177.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.526 HD13 HD11 ' B' ' 409' ' ' LEU . 11.9 tp -67.38 -40.22 85.68 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.217 -178.148 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.685 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 7.3 m95 -69.46 -44.17 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.808 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.433 ' O ' HG13 ' B' ' 435' ' ' ILE . 15.4 mm-40 -59.65 -52.69 64.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.59 ' HA ' HD11 ' B' ' 435' ' ' ILE . 14.7 p -60.76 -35.04 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.2 tp60 -57.86 -48.62 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.548 0.69 . . . . 0.0 110.258 174.512 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.603 ' HA ' HG21 ' B' ' 437' ' ' THR . 29.6 mtt180 -70.58 -27.15 63.89 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.59 HD11 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -71.83 -40.1 68.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' B' ' 440' ' ' LYS . 3.3 tm? -57.34 -46.01 83.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.395 172.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.603 HG21 ' HA ' ' B' ' 434' ' ' ARG . 5.1 t -74.27 -29.53 61.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.919 0.39 . . . . 0.0 110.666 -177.013 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.36 -35.69 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.493 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.867 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -65.74 -36.77 84.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.575 176.568 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' B' ' 436' ' ' LEU . 46.6 mtpt -59.53 -36.5 76.25 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 109.551 175.626 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -67.66 -45.27 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.011 176.885 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.867 ' HD3' HD12 ' B' ' 439' ' ' LEU . 50.4 mtpt -57.85 -37.93 74.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.596 ' HB2' HD12 ' B' ' 402' ' ' ILE . 2.9 tm? -63.77 -44.96 91.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.25 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -81.61 -1.83 47.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.0 0.429 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -95.41 -21.5 18.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.53 178.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.241 -176.431 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.811 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.403 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.537 ' HG2' ' H ' ' A' ' 10' ' ' SER . 9.9 tt0 -94.19 -161.39 0.85 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.537 ' H ' ' HG2' ' A' ' 9' ' ' GLN . 61.3 m -77.97 37.57 0.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.831 0.348 . . . . 0.0 111.24 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 9' ' ' GLN . 40.4 m 64.1 9.2 4.52 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.604 0.761 . . . . 0.0 112.038 178.327 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt 53.18 24.32 3.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 -177.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.61 1.71 32.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.202 0.525 . . . . 0.0 112.359 -169.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.7 tp -128.27 123.1 33.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.462 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -119.95 134.65 55.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.292 -177.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 51.3 mmtt -111.32 110.17 20.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 HG12 HD13 ' A' ' 64' ' ' ILE . 7.6 p -123.94 129.25 74.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.396 0.617 . . . . 0.0 111.118 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.22 116.0 51.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.735 176.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 ttt -90.16 118.16 29.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.167 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.57 171.8 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.22 0.534 . . . . 0.0 111.88 -173.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.69 -169.97 43.08 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -178.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -63.58 -65.33 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.111 0.455 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.82 -71.71 0.23 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.25 43.37 0.6 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.445 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' CG1' HD22 ' A' ' 128' ' ' ASN . 24.5 t -44.38 -63.87 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 O-C-N 124.521 0.777 . . . . 0.0 112.294 -176.095 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.4 10.12 1.11 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.678 177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 13.6 pttp -83.49 27.5 0.6 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.182 0.515 . . . . 0.0 111.039 -174.576 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -153.6 -38.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.248 0.547 . . . . 0.0 110.059 -172.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.26 14.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.489 177.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.04 -31.37 72.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.547 -174.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 HG23 ' A' ' 66' ' ' ILE . 17.9 p -68.86 -36.23 77.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.336 -178.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 HD22 HG23 ' A' ' 40' ' ' VAL . 10.1 tt -64.43 -41.46 96.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 176.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -63.47 -35.53 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.33 -12.13 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.596 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.6 mtm -106.51 -50.07 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 111.61 -179.725 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 43.4 m-85 -93.22 -11.91 31.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.678 -174.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 24.6 t70 75.19 -28.35 0.19 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.392 0.677 . . . . 0.0 111.728 -178.675 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 36' ' ' TYR . 11.5 pt-20 -96.87 170.43 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.996 0.427 . . . . 0.0 111.166 -176.205 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -87.14 147.45 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.346 -173.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG23 HD22 ' A' ' 32' ' ' LEU . 17.8 t -70.67 120.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.384 -177.053 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -108.44 -45.23 3.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.225 0.535 . . . . 0.0 109.903 173.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -146.14 112.3 5.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -173.19 91.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.571 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.5 mp0 -87.02 -54.52 0.38 Allowed Pre-proline 0 CA--C 1.538 0.482 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.873 -178.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 10.2 Cg_endo -49.56 102.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 123.421 2.748 . . . . 0.0 113.672 -173.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.567 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -165.15 52.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.343 176.117 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -86.89 -57.46 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.094 0.473 . . . . 0.0 110.675 -177.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.76 11.88 6.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.639 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.27 121.17 18.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.5 -170.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.2 p -96.7 139.81 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.615 ' HH ' ' HB2' ' A' ' 68' ' ' ASP . 1.1 p90 -129.91 121.9 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.463 0.649 . . . . 0.0 111.273 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -98.23 117.63 33.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.215 -177.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 57.1 tptt -111.63 128.61 56.11 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -90.24 125.69 35.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.5 m -136.68 145.13 30.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.48 102.5 14.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.736 0.779 . . . . 0.0 110.385 177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -91.05 107.9 19.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.258 175.706 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 23.5 t70 78.42 -48.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.826 174.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.21 -55.08 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.002 -1.571 . . . . 0.0 114.981 -172.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' HG21 ' A' ' 62' ' ' VAL . 7.0 pt-20 -98.24 145.22 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.706 0.753 . . . . 0.0 111.824 -171.531 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -73.2 107.82 5.74 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 60' ' ' GLU . 4.8 t -107.94 148.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.648 -175.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -113.47 119.39 37.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.416 0.626 . . . . 0.0 111.068 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.473 HD13 HG12 ' A' ' 17' ' ' VAL . 9.7 tt -106.4 119.73 56.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.476 176.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.8 114.63 28.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mp -108.04 129.37 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.51 . . . . 0.0 110.716 -174.017 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.1 tp -106.57 119.6 39.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.312 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 52.4 t0 -91.07 105.83 18.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.692 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 p -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.79 110.9 18.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.031 172.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 90.01 1.07 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.13 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -142.0 158.23 44.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.07 72.66 3.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 0.0 109.944 177.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.49 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.484 -178.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -77.34 73.05 3.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.25 -27.92 66.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 176.41 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -61.74 -28.72 69.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.568 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.875 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 76.7 mt -81.25 -40.63 18.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.644 0.259 . . . . 0.0 111.579 -175.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -90.84 -53.0 4.58 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.7 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.55 -55.28 6.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.066 0.46 . . . . 0.0 111.674 -175.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.805 HD21 ' HA ' ' A' ' 77' ' ' ALA . 53.8 m-80 -72.29 -31.11 65.44 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.03 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.875 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 10.2 m-85 -73.74 -28.43 61.69 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HB2' HG22 ' A' ' 114' ' ' VAL . 11.0 m-30 -61.68 -23.89 66.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.556 0.217 . . . . 0.0 111.565 -177.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.75 -53.16 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.666 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 49.7 m -93.33 24.77 3.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 111.762 -177.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.11 141.85 15.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.659 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.674 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 41.6 mt-10 -96.42 -67.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.57 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -103.77 148.34 16.95 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.242 -177.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -129.35 131.64 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.914 0.388 . . . . 0.0 110.747 -179.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.487 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 74.9 mt -104.28 124.19 48.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.05 108.22 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.141 -178.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.833 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.8 m -117.24 135.58 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.268 0.556 . . . . 0.0 111.53 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -150.66 152.11 33.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.322 177.206 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.5 t -89.16 147.25 24.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.897 0.38 . . . . 0.0 109.993 178.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.62 1.35 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.542 ' CG2' HD21 ' A' ' 132' ' ' LEU . 11.4 p -93.11 -14.14 27.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.373 0.606 . . . . 0.0 109.703 171.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.78 101.41 12.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.643 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -78.23 -27.09 47.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.39 -52.49 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.463 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -60.64 -31.23 70.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.038 178.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.25 -42.87 96.23 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.937 0.399 . . . . 0.0 110.604 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.5 m -76.0 -31.82 59.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.302 0.572 . . . . 0.0 110.363 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.84 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.113 -177.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.4 p -52.92 -45.49 67.64 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.955 0.407 . . . . 0.0 111.445 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.99 -34.64 76.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.46 178.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.43 -40.02 89.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.403 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -58.98 -47.17 86.11 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.34 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -57.63 -50.74 72.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.75 -40.94 85.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.341 179.097 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -64.88 -45.48 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 7.5 mp -68.11 -20.53 64.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.719 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.798 ' HA ' ' HE ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -59.09 -40.88 86.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 175.581 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.466 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -101.56 -21.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.328 -177.115 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -101.57 -91.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.968 -178.345 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 112' ' ' LEU . . . 61.9 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.511 0.724 . . . . 0.0 112.939 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.16 54.91 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.344 0.592 . . . . 0.0 111.227 -173.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.33 -164.74 1.06 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.415 179.099 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.42 -72.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 171.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.627 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 71.2 mmtt -154.43 145.42 22.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.071 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.26 99.04 11.63 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.57 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 57.2 Cg_endo -75.85 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.538 2.158 . . . . 0.0 111.878 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.3 mt -116.78 156.06 27.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.446 -178.613 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tt -150.48 123.65 8.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.7 t -93.97 122.59 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -177.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.833 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.6 t -116.57 123.34 71.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -176.239 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.3 102.44 2.91 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.51 ' C ' HD21 ' A' ' 128' ' ' ASN . 0.2 OUTLIER -100.14 174.57 6.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.929 -0.16 . . . . 0.0 110.905 -176.326 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HE3' ' O ' ' A' ' 25' ' ' VAL . 3.1 mptm? 66.56 26.6 9.83 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 123.602 0.564 . . . . 0.0 111.789 179.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -66.58 -0.37 2.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.061 0.458 . . . . 0.0 111.361 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.8 t70 -62.66 -33.69 75.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.867 177.745 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.542 HD21 ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER -64.01 -39.68 94.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.366 178.344 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.03 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.778 175.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -76.82 -16.2 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 -172.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 77.5 mtp180 -84.58 8.35 16.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.476 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 36.4 ttp180 -62.64 114.06 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.379 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.0 -32.65 15.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.537 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.06 124.94 33.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.93 122.12 11.17 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.581 2.188 . . . . 0.0 111.723 178.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -67.02 -22.26 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.23 -178.357 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.04 -47.28 86.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.652 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.6 -23.46 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.32 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.26 175.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.0 mtp180 -63.38 -37.19 86.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.301 177.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.3 t -68.86 -24.5 64.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.102 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -76.88 -34.49 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.046 -0.409 . . . . 0.0 110.59 175.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.61 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.63 -41.76 91.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.964 174.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.16 -43.8 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.168 -179.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -89.26 -4.89 58.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -175.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.27 35.13 34.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.53 177.366 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.33 -179.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.932 0.396 . . . . 0.0 111.094 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.79 161.76 13.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -130.85 117.88 19.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.85 136.29 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -175.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -91.62 127.16 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.144 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.3 p -136.54 159.75 40.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.235 0.54 . . . . 0.0 111.68 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -146.69 126.01 13.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.254 172.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.03 54.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.772 -177.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.405 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 54.9 tptt -64.09 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.377 -175.691 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.2 p -116.06 -14.61 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.583 -178.032 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 62.11 79.13 0.26 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.866 -179.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -129.37 116.03 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -178.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 56.87 27.42 12.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.469 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 168' ' ' VAL . 92.8 t -68.17 -43.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.151 178.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.86 -34.21 75.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -59.88 -44.66 94.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.219 -171.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 165' ' ' VAL . 32.7 m -61.73 -27.14 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.606 0.241 . . . . 0.0 111.408 -175.081 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.11 -44.35 47.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.515 176.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -67.22 -46.37 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.251 -178.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -55.83 -51.38 67.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 110.606 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.571 ' CD1' HD12 ' A' ' 176' ' ' ILE . 1.7 tm? -60.91 -42.46 98.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.821 179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 60.3 mtm -64.47 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.172 -0.33 . . . . 0.0 111.815 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -68.45 -44.08 75.67 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 16.3 mm-40 -54.8 -45.88 74.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.753 0.311 . . . . 0.0 110.859 172.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.571 HD12 ' CD1' ' A' ' 172' ' ' LEU . 66.2 mt -58.01 -36.92 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.204 179.555 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -56.57 -51.89 66.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.041 0.448 . . . . 0.0 110.54 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -70.11 -38.58 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.057 -177.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.627 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -62.76 -38.37 90.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.343 178.473 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 30.2 mtpp -74.32 -29.56 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.547 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.1 mtm -84.32 -24.91 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.715 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 32.4 t 65.81 -173.36 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.786 0.678 . . . . 0.0 110.04 -178.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 185' ' ' LYS . 44.4 tt0 -84.87 -68.38 0.73 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 53.75 31.35 12.75 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.787 0.68 . . . . 0.0 111.718 175.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 183' ' ' GLU . 99.3 mttt . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.6 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 7.1 p -111.33 19.31 18.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.745 0.307 . . . . 0.0 111.334 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.59 -60.27 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.375 -177.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m -74.08 -25.79 60.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.456 0.646 . . . . 0.0 110.188 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -64.89 -26.33 68.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.246 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.41 15.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.821 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.43 -38.16 94.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.267 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.576 ' O ' HG13 ' B' ' 402' ' ' ILE . 19.3 mm -60.96 -53.24 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.732 0.301 . . . . 0.0 110.531 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.43 -45.98 87.39 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.029 -175.012 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.45 -38.55 91.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.669 0.271 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.591 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 13.2 tp10 -71.96 -31.98 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.065 177.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.576 HG13 ' O ' ' B' ' 398' ' ' ILE . 76.4 mt -61.27 -48.61 88.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.05 -37.37 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 0.0 110.626 176.591 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.591 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 44.4 ttt180 -67.47 -46.62 72.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.849 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -69.21 -37.83 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 57.0 mt-10 -61.91 -35.08 77.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.455 177.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -68.87 -46.32 68.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 175.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.538 ' HB2' HG22 ' B' ' 432' ' ' VAL . 78.5 mt -62.6 -48.91 77.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.069 0.461 . . . . 0.0 110.723 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.552 HD22 HG13 ' B' ' 432' ' ' VAL . 3.1 tm? -66.19 -31.99 73.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.038 179.468 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.4 -42.14 92.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 175.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.4 t -59.59 -54.58 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.509 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.1 mm? -56.57 -30.62 63.36 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 111.22 178.438 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -69.5 -44.8 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.389 176.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 97.1 mtt180 -76.92 -50.37 13.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.512 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.99 -48.28 82.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 111.781 -175.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' B' ' 425' ' ' LYS . 7.8 mp -66.99 -25.32 66.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.317 -175.802 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 7.1 mt-30 -54.22 -29.33 46.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.427 177.503 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.3 -6.39 75.03 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.522 -176.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.18 13.45 58.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.379 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.3 mt -84.16 116.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.496 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.0 pttp -117.87 146.74 43.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.017 0.913 . . . . 0.0 112.702 -175.198 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.458 ' O ' ' HE3' ' B' ' 425' ' ' LYS . 17.3 t70 -150.88 169.27 22.12 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 171.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -72.07 -32.45 67.06 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.21 173.734 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 33.1 t -64.66 -40.59 95.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.539 -178.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.693 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.67 -39.14 91.02 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.626 -170.748 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.693 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.8 pt-20 -73.87 -41.79 61.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.429 -179.517 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 46.3 mt-10 -63.44 -45.13 92.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.507 ' O ' HG11 ' B' ' 432' ' ' VAL . 27.3 mmt180 -64.26 -35.4 80.71 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.052 177.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' B' ' 429' ' ' LEU . 0.7 OUTLIER -56.34 -56.07 25.65 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 123.238 0.336 . . . . 0.0 110.754 -178.276 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.666 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 38.8 m95 -68.82 -30.85 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.619 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 30.9 tt0 -64.13 -57.32 9.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.366 -177.206 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.552 HG13 HD22 ' B' ' 409' ' ' LEU . 7.1 p -64.85 -34.12 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.313 0.577 . . . . 0.0 109.79 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.79 -53.34 58.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.342 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.619 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -66.93 -28.48 68.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.371 -177.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.2 mt -70.53 -52.05 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.917 175.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.45 HD23 ' HG2' ' B' ' 406' ' ' GLU . 21.7 tp -56.56 -42.35 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.4 t -71.1 -40.13 71.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.824 -176.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.375 0.607 . . . . 0.0 110.141 176.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.485 ' HG ' HG12 ' B' ' 402' ' ' ILE . 44.7 tp -67.9 -42.81 80.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.257 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.99 -30.93 71.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.401 0.619 . . . . 0.0 109.679 174.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.1 tmt_? -67.43 -45.08 77.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.375 175.647 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -61.24 -28.91 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 177.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.03 -45.05 94.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.268 174.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -76.72 -12.94 60.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.2 tp10 -86.72 -9.98 54.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.819 178.3 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.316 178.185 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.87 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -73.75 0.13 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.21 0.529 . . . . 0.0 110.838 -176.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -122.29 -160.46 0.88 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.282 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 t -91.69 94.11 9.22 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -137.67 15.91 2.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.892 -177.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -91.14 13.61 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.397 0.618 . . . . 0.0 111.078 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -139.34 118.8 12.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.062 176.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.555 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 26.3 m-70 -116.75 136.46 52.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 -177.597 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HZ1' ' CG ' ' A' ' 65' ' ' ASP . 45.9 mmtt -113.52 106.83 15.02 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.417 177.832 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.6 t -109.19 110.49 32.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.849 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.5 120.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.504 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.8 mmm -89.75 108.61 19.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.408 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -94.88 153.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -176.282 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.83 -179.89 48.81 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.6 m -145.99 16.93 1.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.538 0.685 . . . . 0.0 109.797 -175.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.29 -169.82 38.91 Favored Glycine 0 N--CA 1.436 -1.318 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.793 -177.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.22 67.94 0.71 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.79 -1.195 . . . . 0.0 112.622 -178.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.604 HG11 ' HB2' ' A' ' 94' ' ' SER . 68.0 t -66.73 -41.19 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 174.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 133.96 28.65 0.49 Allowed Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -176.635 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -74.0 -18.66 60.83 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -174.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -88.11 -15.11 37.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.417 . . . . 0.0 111.028 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.08 43.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.09 0.472 . . . . 0.0 110.69 178.024 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.705 -175.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 p -66.86 -39.75 87.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.255 -177.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.15 -41.16 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -69.36 -27.1 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.519 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 71.9 t80 -61.02 -36.38 79.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 176.436 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.655 ' HE1' ' HB2' ' A' ' 53' ' ' LYS . 48.6 ttm -94.28 -53.76 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.917 -176.167 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.68 -21.06 15.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.4 t70 66.48 16.81 10.52 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.982 0.896 . . . . 0.0 110.437 -175.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.03 147.16 25.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.734 177.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -78.79 148.07 33.06 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.94 105.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 0.0 111.183 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -104.44 -35.24 7.98 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 175.431 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -144.4 99.46 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.609 176.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -158.88 93.36 1.16 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.066 176.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.599 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 34.2 tt0 -82.59 -61.4 0.34 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.925 -174.185 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 50.6 Cg_exo -51.53 -90.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.926 2.417 . . . . 0.0 115.538 -162.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.483 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 17.7 p 47.53 25.87 0.71 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.883 0.473 . . . . 0.0 111.688 -168.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -87.08 -59.32 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.77 25.76 6.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.499 169.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.13 111.26 22.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.595 -172.266 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -122.83 155.81 35.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.213 177.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.2 105.29 3.62 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -80.02 123.29 27.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.446 -168.372 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.655 ' HB2' ' HE1' ' A' ' 35' ' ' MET . 52.2 tptt -101.19 127.56 47.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.303 178.252 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.12 129.05 34.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.78 HG22 HG21 ' A' ' 62' ' ' VAL . 3.4 m -133.48 149.08 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.46 -179.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 60' ' ' GLU . 14.1 p -153.02 132.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.878 175.646 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.37 98.81 5.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.918 175.679 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.32 29.28 17.89 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.704 0.628 . . . . 0.0 112.215 176.2 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.27 -133.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.5 -1.333 . . . . 0.0 114.369 -177.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' ' 56' ' ' VAL . 10.5 pt-20 -92.28 152.78 19.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.688 -174.456 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.3 109.16 2.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.327 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.78 HG21 HG22 ' A' ' 55' ' ' VAL . 11.5 m -106.76 179.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.9 134.66 31.93 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.797 -171.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.484 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 10.4 tt -108.6 112.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.597 0.713 . . . . 0.0 109.744 172.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.427 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 3.2 t70 -103.08 126.94 50.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.549 -177.812 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.44 137.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -167.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 tp -126.77 111.75 14.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.548 171.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -98.24 99.37 10.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.2 m -58.42 136.35 57.44 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.772 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.08 43.3 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.523 179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.29 46.17 3.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.369 -178.875 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -154.57 160.76 41.69 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.374 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -84.82 -23.01 29.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.018 -177.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -47.91 -64.67 0.73 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.657 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.27 72.3 4.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.167 -175.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.1 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.699 176.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.795 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.283 174.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.676 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 19.5 mt -91.36 -22.0 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.92 -179.037 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 40.1 mtp85 -92.64 -66.44 0.92 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.509 -179.219 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.2 -52.45 9.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.698 -174.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.795 HD21 ' HA ' ' A' ' 77' ' ' ALA . 51.8 m-80 -72.15 -24.63 61.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.531 -170.422 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.676 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -88.29 -26.99 22.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.603 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' HB2' HG23 ' A' ' 114' ' ' VAL . 13.6 m-30 -65.8 -14.59 61.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.866 0.365 . . . . 0.0 111.857 -175.629 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 22.0 mmm180 -54.65 -64.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -176.239 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.591 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.1 m -91.96 27.09 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -171.164 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.35 175.18 34.42 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.978 176.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.555 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 50.1 mt-10 -111.88 -75.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.19 0.495 . . . . 0.0 110.499 177.502 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.9 155.09 16.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.4 -174.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -126.75 128.01 45.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -177.04 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 124' ' ' LEU . 66.6 mt -96.99 113.31 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.712 175.126 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 125' ' ' VAL . 50.2 mt -81.26 106.86 13.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -109.29 108.59 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 111.082 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -125.86 163.42 22.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.146 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.604 ' HB2' HG11 ' A' ' 25' ' ' VAL . 41.7 t -93.46 128.63 39.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.372 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 10.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.433 0.635 . . . . 0.0 110.747 -177.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 1.072 HG23 HD21 ' A' ' 132' ' ' LEU . 63.0 p -113.54 -13.49 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.259 174.314 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -112.33 102.47 10.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.625 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -72.36 -16.92 61.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.614 0.245 . . . . 0.0 111.147 -174.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.43 -54.69 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.691 0.281 . . . . 0.0 110.688 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 p -67.39 -27.17 66.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.902 0.382 . . . . 0.0 110.693 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.1 t80 -62.52 -38.88 91.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.361 173.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.4 m -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.268 0.556 . . . . 0.0 110.175 179.146 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -15.26 62.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.901 -177.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.573 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 47.5 p -56.85 -38.49 72.75 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.706 0.288 . . . . 0.0 111.425 -178.464 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.8 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.54 -35.26 73.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.661 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -57.39 -51.36 69.71 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.204 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.98 -52.2 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.285 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.8 mt-10 -57.25 -45.28 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.742 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.87 -39.5 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.0 110.326 -176.545 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.7 mt -61.44 -45.48 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.049 178.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.54 -20.01 62.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.219 -179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 94.6 mtt180 -79.24 -42.45 25.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.628 0.252 . . . . 0.0 111.1 178.148 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.41 HG23 ' HB2' ' A' ' 83' ' ' PHE . 34.9 m -80.03 -28.87 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.508 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.685 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 55.4 mttm -98.09 -82.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.293 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.62 -71.0 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.612 -179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -87.16 61.46 6.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 111.22 -175.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.685 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 21.5 mm-40 -105.67 -168.22 1.42 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.415 179.143 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.9 -62.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.229 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -150.41 139.47 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.837 177.191 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mt -115.03 99.16 51.91 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.415 -177.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.581 ' HG2' HG12 ' A' ' 176' ' ' ILE . 6.5 Cg_endo -88.47 125.26 1.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.453 2.768 . . . . 0.0 112.743 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.14 161.22 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.509 ' HG ' ' HG2' ' A' ' 153' ' ' GLN . 4.1 tt -148.59 129.81 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 174.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 91' ' ' LEU . 20.2 t -91.26 113.53 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 0.0 110.282 -178.263 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.24 112.32 39.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.661 -177.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.3 134.93 13.49 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.983 175.291 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 13.0 t-20 -124.53 173.45 8.46 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.262 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 31.7 mmtm 68.89 23.94 6.6 Favored 'General case' 0 CA--C 1.521 -0.144 0 O-C-N 123.662 0.601 . . . . 0.0 110.73 -173.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.9 m -67.53 -2.49 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 176.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.84 -28.7 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 1.072 HD21 HG23 ' A' ' 96' ' ' THR . 8.5 mp -64.26 -45.05 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.406 175.2 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 65.27 -77.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.023 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.74 -23.27 58.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.929 0.395 . . . . 0.0 111.082 -175.023 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.742 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 41.8 mtt180 -85.12 17.76 2.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.291 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -61.16 114.49 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.542 ' H ' ' HA ' ' A' ' 96' ' ' THR . 46.7 mt-30 -104.8 -13.45 15.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 -179.623 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 109.6 45.82 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 169.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.02 118.24 5.08 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.124 1.883 . . . . 0.0 111.329 177.538 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -27.35 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.3 mp0 -56.91 -48.96 76.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.766 178.624 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.14 -29.71 34.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.423 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -61.52 -49.11 78.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.54 176.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -65.97 -39.97 90.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.055 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.8 t -54.67 -43.98 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.167 -177.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -60.47 -50.54 73.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.498 0.19 . . . . 0.0 111.506 176.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.7 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.86 -39.66 94.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.42 -34.94 75.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -178.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -80.97 -13.26 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.63 31.2 24.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.404 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.07 -177.57 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 111.077 179.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.509 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -103.15 144.82 30.81 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.091 177.686 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -115.17 113.75 24.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.683 173.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.2 p -139.52 128.98 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.402 177.43 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.07 160.83 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.584 -174.38 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.6 p -132.82 129.99 39.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.017 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.8 p -108.09 119.97 41.0 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.522 ' HB1' ' N2 ' ' A' ' 500' ' ' GNP . . . -94.06 -11.65 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.511 -172.427 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -74.94 -29.26 60.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.364 0.602 . . . . 0.0 110.121 178.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -116.59 -12.11 10.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 63.79 80.88 0.22 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.136 -175.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.32 131.07 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.249 175.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 66.82 13.42 9.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.694 0.797 . . . . 0.0 111.831 -177.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.87 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.573 0.225 . . . . 0.0 110.956 -176.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.508 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 5.5 p-10 -71.43 -24.17 61.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.126 0.489 . . . . 0.0 110.555 178.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -58.58 -47.53 83.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.544 -177.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.17 -30.29 45.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.522 -176.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -70.98 -47.69 57.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.865 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.99 -39.83 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.291 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.23 -50.71 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.437 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.495 HD12 HD13 ' A' ' 176' ' ' ILE . 1.9 tm? -59.12 -46.43 88.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.725 178.222 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.484 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 66.9 mtm -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.617 0.246 . . . . 0.0 111.373 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.477 ' NH1' ' HE ' ' A' ' 177' ' ' ARG . 3.1 mmm180 -65.56 -43.76 88.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 5.5 mt-10 -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.602 175.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.581 HG12 ' HG2' ' A' ' 122' ' ' PRO . 64.1 mt -60.26 -39.52 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -178.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.477 ' HE ' ' NH1' ' A' ' 174' ' ' ARG . 7.2 ptt180 -66.59 -31.73 72.62 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.155 -179.095 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.7 m -69.92 -33.72 72.53 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.133 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.5 mptt -66.54 -48.44 69.7 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.485 176.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -65.36 -26.0 67.82 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.8 mtm -86.14 -20.02 29.26 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.344 174.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.9 m 62.4 34.95 15.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.599 177.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.16 109.57 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.506 179.053 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.07 -6.18 42.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.664 -179.183 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.208 -0.357 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 10.9 p -85.04 53.89 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.611 -177.468 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -55.79 -61.28 2.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.328 -178.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.528 ' O ' HG12 ' B' ' 398' ' ' ILE . 15.7 m -81.83 -34.58 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.265 -178.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.432 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 46.7 mt-30 -57.83 -34.91 70.18 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 -177.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.14 -55.64 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.197 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.6 91.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.02 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.528 HG12 ' O ' ' B' ' 394' ' ' THR . 47.9 mm -63.12 -51.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.802 0.334 . . . . 0.0 110.787 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.637 ' HA ' HD11 ' B' ' 402' ' ' ILE . 9.6 mtpm? -61.89 -39.36 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.475 -177.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -65.03 -41.54 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.388 176.194 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.54 ' HB3' HD11 ' B' ' 439' ' ' LEU . 2.7 tp10 -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.369 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.674 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.6 mt -53.56 -53.12 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.472 174.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.496 ' HD3' ' OE2' ' B' ' 406' ' ' GLU . 26.6 mmt180 -62.99 -35.46 80.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 -178.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.458 ' HD3' ' OE1' ' B' ' 401' ' ' GLU . 68.2 ttt180 -59.38 -46.54 88.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.635 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.608 HE21 HG21 ' B' ' 432' ' ' VAL . 14.7 mm100 -72.21 -34.14 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.411 -179.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.496 ' OE2' ' HD3' ' B' ' 403' ' ' ARG . 38.0 mt-10 -60.12 -45.18 93.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 175.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.63 -47.38 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 177.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.591 ' HB2' HG23 ' B' ' 432' ' ' VAL . 49.3 mt -57.34 -52.16 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.116 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.685 HD21 HG12 ' B' ' 432' ' ' VAL . 0.5 OUTLIER -62.17 -42.39 99.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.622 179.165 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 52.7 t30 -59.21 -56.49 21.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.0 m -61.12 -43.19 99.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.735 -177.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' B' ' 429' ' ' LEU . 13.0 mt -59.1 -51.99 67.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.052 177.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 0.9 OUTLIER -66.93 -31.04 71.35 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.708 -177.529 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 55.0 mtm180 -64.76 -45.77 84.98 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.61 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.29 -38.55 85.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.965 -177.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 97.2 mt -62.2 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.245 -179.147 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.54 -10.22 59.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.57 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -88.05 5.8 84.35 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.406 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.3 14.77 58.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.042 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.4 mt -102.61 128.05 55.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -151.64 147.76 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.54 0.686 . . . . 0.0 111.8 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.71 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 16.2 t70 -150.21 171.24 17.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.805 -178.437 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 8.8 mp -70.53 -31.44 68.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.709 0.766 . . . . 0.0 109.688 173.396 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -63.73 -35.13 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.138 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.71 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.9 pptp? -71.16 -42.06 69.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.583 -174.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.619 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.8 pt-20 -67.52 -41.16 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 110.305 -175.204 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.566 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 15.6 mm-40 -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.926 179.476 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.581 ' O ' HG13 ' B' ' 432' ' ' VAL . 22.7 tpt180 -67.05 -41.97 85.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 -177.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' B' ' 412' ' ' LEU . 5.9 mp -54.63 -53.24 57.32 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 123.108 0.255 . . . . 0.0 111.262 176.806 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 89.7 m95 -63.15 -30.12 71.33 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.386 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 64.3 mt-10 -66.16 -56.56 10.8 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.853 175.401 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.685 HG12 HD21 ' B' ' 409' ' ' LEU . 2.4 p -64.65 -33.57 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 -179.355 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -56.03 -51.93 66.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.418 174.597 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 3.5 ptm180 -67.09 -26.68 66.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.125 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' B' ' 432' ' ' VAL . 32.4 mt -77.78 -40.5 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.327 177.773 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.53 -40.74 83.8 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 177.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -74.92 -33.43 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.74 -39.29 93.38 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.238 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.674 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.3 OUTLIER -61.01 -38.65 86.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.059 177.436 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.45 -49.02 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 176.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.49 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.4 OUTLIER -61.87 -44.93 95.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.741 179.943 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.449 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' B' ' 402' ' ' ILE . 53.0 tp -64.06 -40.48 96.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.98 -7.21 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.016 0.436 . . . . 0.0 110.816 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.49 ' HB2' HH11 ' B' ' 441' ' ' ARG . 42.5 tt0 -94.44 -26.35 16.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 178.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.81 -178.408 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.752 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.913 0 N-CA-C 112.064 -0.414 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.66 128.5 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.279 0.561 . . . . 0.0 111.024 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -151.17 -49.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.077 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -141.67 23.63 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.171 0.51 . . . . 0.0 110.556 178.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.91 -13.72 33.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.316 -174.081 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -96.21 7.07 47.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.46 0.648 . . . . 0.0 110.56 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 32.4 tp -130.45 127.69 39.75 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.565 179.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -137.22 141.53 42.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.518 -177.292 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -116.39 131.4 56.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 172.754 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.14 117.96 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.606 0.717 . . . . 0.0 110.178 177.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD12 ' CE1' ' A' ' 89' ' ' PHE . 59.7 mt -108.99 122.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.897 -177.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.701 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 18.6 mmt -81.16 122.89 27.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.539 174.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 90' ' ' LEU . 26.8 m -96.52 155.99 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 111.171 -177.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.52 160.9 26.5 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.51 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.6 m -134.75 -71.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.728 0.264 . . . . 0.0 110.656 178.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.06 -66.38 1.81 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.875 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.64 2.97 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.082 177.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 27' ' ' LYS . 60.0 t 67.54 99.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.35 0.595 . . . . 0.0 111.051 -178.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 28' ' ' SER . . . -57.54 -60.61 8.69 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.805 176.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.701 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 22.2 pttm 58.39 -16.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.152 1.781 . . . . 0.0 115.197 170.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 26' ' ' GLY . 5.7 m -90.21 -12.68 37.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.043 0.449 . . . . 0.0 110.774 -177.816 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.68 -48.97 34.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.533 -178.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.72 -34.28 76.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.682 -172.337 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.4 p -67.94 -39.52 83.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.294 -176.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD13 ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -68.37 -40.91 81.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.772 177.543 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.5 mm100 -61.81 -37.6 85.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.008 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.98 -36.56 80.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.987 -176.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.466 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 7.7 ptp -78.37 -50.44 11.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.572 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 89.7 m-85 -89.46 -86.43 0.19 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.377 -178.395 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 30.5 t70 163.01 -36.09 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.086 0.866 . . . . 0.0 109.956 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.12 162.74 13.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.909 -171.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 59.8 t80 -75.75 132.16 40.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.083 -169.102 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 32' ' ' LEU . 7.7 p -89.02 131.94 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.194 176.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.39 -33.53 3.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.826 -177.11 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -119.66 93.09 3.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.105 0.478 . . . . 0.0 110.921 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -171.29 98.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.28 174.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' CD ' HNB3 ' A' ' 500' ' ' GNP . 3.9 mm-40 -114.54 -35.35 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.184 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 31.7 Cg_exo -59.52 95.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.382 1.388 . . . . 0.0 112.592 176.091 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.437 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 3.0 p -131.64 27.51 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -75.09 -57.46 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -176.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HB3' HD11 ' B' ' 409' ' ' LEU . . . -126.14 17.19 7.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.453 -177.259 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.33 165.97 10.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.473 -175.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -153.58 150.99 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.154 0.502 . . . . 0.0 110.245 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -139.79 126.68 20.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.026 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -96.33 156.19 16.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.203 0.525 . . . . 0.0 111.445 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 51.5 tptt -134.66 127.81 31.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.016 177.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.28 122.36 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 153.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 60' ' ' GLU . 2.7 p -125.92 115.29 42.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.516 0.674 . . . . 0.0 110.686 177.219 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.42 99.06 11.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.585 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 72.79 -51.21 0.71 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.286 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.03 -64.22 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.758 -1.21 . . . . 0.0 114.764 -170.031 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' HG21 ' A' ' 56' ' ' VAL . 8.5 pt-20 -97.21 144.7 26.77 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 117.654 0.727 . . . . 0.0 111.724 -172.637 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 124.96 25.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.475 -177.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -108.05 143.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.444 -175.249 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.1 135.44 53.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 0.0 110.438 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.1 125.98 65.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.6 -178.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.566 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 8.1 m-20 -90.95 121.05 32.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.313 178.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.7 mt -108.12 125.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD21 ' CD2' ' A' ' 82' ' ' TYR . 33.4 tp -131.02 139.39 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.119 0.485 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 29.5 t70 -111.29 153.33 26.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 p -130.17 153.66 48.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -170.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 134.58 50.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.861 170.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -128.44 25.37 4.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.552 -175.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -74.06 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 111.907 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.86 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.37 -68.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.016 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 75.8 m-85 -83.09 54.02 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.831 -174.299 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.07 66.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.234 0.54 . . . . 0.0 110.022 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.44 -13.71 53.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.866 178.701 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 75' ' ' TYR . 50.2 mt -93.3 -30.24 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.072 0.463 . . . . 0.0 110.334 178.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -88.24 -60.65 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 -178.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -56.68 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.761 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 90.9 m-20 -59.24 -35.41 73.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.404 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 m-85 -77.32 -22.89 51.23 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.024 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.636 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 13.5 m-30 -64.52 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.257 -177.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.37 -37.09 74.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -171.285 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.434 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -112.1 44.0 1.49 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.376 -173.77 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.18 138.56 10.09 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.018 175.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.489 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.0 mp0 -79.59 -65.56 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 110.236 178.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.13 146.23 18.09 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.929 -173.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE1' HD12 ' A' ' 18' ' ' ILE . 91.1 m-85 -132.2 131.63 42.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.1 mt -103.47 115.44 30.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.84 105.67 17.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 172.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 128' ' ' ASN . 60.8 t -117.07 113.13 41.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.129 -176.256 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.523 ' HZ ' ' HH ' ' A' ' 154' ' ' TYR . 36.5 p90 -126.25 148.83 49.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.449 -177.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.989 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -84.87 143.59 28.94 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.615 HG21 HH21 ' A' ' 136' ' ' ARG . 0.2 OUTLIER -74.07 7.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.957 0.408 . . . . 0.0 111.301 -177.49 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.472 HG23 ' O ' ' A' ' 135' ' ' ARG . 21.0 p -117.56 -6.04 11.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.232 175.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.989 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 20.5 mm-40 -106.47 101.81 11.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -177.706 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -69.49 -25.48 64.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -56.55 -54.3 47.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 3.8 m -66.3 -34.54 78.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.789 -177.114 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.19 -42.59 88.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.256 0.55 . . . . 0.0 110.62 -179.163 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.93 -15.76 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.177 -176.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -55.55 -45.43 77.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.509 -178.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.33 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.593 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.76 -39.11 84.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.404 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.6 m-85 -56.3 -46.65 79.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.54 0.209 . . . . 0.0 110.464 -179.175 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.33 -56.98 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.38 179.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 32.0 mt-10 -63.94 -42.17 97.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.027 -176.602 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -63.35 -37.08 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.281 -178.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -63.48 -46.33 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.192 174.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.29 -7.9 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -76.36 -30.56 57.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 176.432 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' ' 115' ' ' LYS . 19.9 m -115.14 0.37 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.868 -176.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.636 ' HD3' ' O ' ' A' ' 83' ' ' PHE . 13.0 mmmm -129.4 -149.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.556 -176.45 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.77 11.54 3.14 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.567 0.747 . . . . 0.0 112.384 173.087 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.8 31.93 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.377 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 2.9 pt-20 -129.15 -164.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.477 -173.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.5 -59.43 2.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.737 -179.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.431 ' HG2' ' HD2' ' A' ' 179' ' ' LYS . 56.0 tptt -163.04 134.82 5.11 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.75 0.309 . . . . 0.0 110.85 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.426 HD13 ' HB3' ' A' ' 115' ' ' LYS . 54.9 mt -95.47 109.54 46.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.728 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.52 ' HG3' ' HG3' ' A' ' 179' ' ' LYS . 2.6 Cg_exo -76.04 108.1 2.61 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 176.699 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.74 152.01 22.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.565 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.58 HD11 ' N ' ' A' ' 125' ' ' VAL . 5.8 tp -150.96 129.03 11.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.834 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.58 ' N ' HD11 ' A' ' 124' ' ' LEU . 25.4 t -103.14 123.03 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.975 179.177 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.09 133.89 65.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -175.669 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.58 107.14 3.32 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.842 176.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 94' ' ' SER . 9.8 t30 -95.08 155.13 16.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.585 0.231 . . . . 0.0 110.895 -176.384 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.476 ' HA ' ' C6 ' ' A' ' 500' ' ' GNP . 21.8 tptm 67.52 24.64 8.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.285 175.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.3 m -74.29 47.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 129' ' ' LYS . 31.9 t70 -121.41 -14.2 8.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.747 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.34 -44.73 64.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.539 -179.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.63 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.397 176.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.59 -33.83 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.679 0.276 . . . . 0.0 111.513 -174.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 96' ' ' THR . 64.6 mtt180 -89.41 8.48 30.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.669 -176.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.615 HH21 HG21 ' A' ' 95' ' ' ILE . 26.8 ttm180 -56.36 112.88 1.37 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.85 -36.46 19.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.219 -174.247 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.5 p -106.45 123.95 37.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 43.7 Cg_exo -56.85 120.1 7.8 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 111.883 179.424 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -75.07 -16.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.307 0.575 . . . . 0.0 109.616 -177.632 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.05 -50.05 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.18 178.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -76.87 -29.6 55.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.225 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.0 81.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.412 176.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.6 mtp180 -61.15 -47.8 84.53 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 174.235 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 7.8 t -68.0 -21.78 65.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.948 -175.598 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.475 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 46.9 mmtt -66.56 -50.65 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.677 174.748 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB2' HG22 ' A' ' 152' ' ' VAL . . . -59.51 -36.62 76.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.403 0.62 . . . . 0.0 109.727 173.621 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.5 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 45.1 tt0 -61.01 -47.44 86.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.051 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 145' ' ' SER . 45.2 mt-10 -60.52 -41.27 94.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 111.288 177.895 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -81.07 -9.39 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.796 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.64 31.68 32.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.005 177.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 147' ' ' ALA . 12.5 m -124.21 178.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.621 0.248 . . . . 0.0 110.883 178.759 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.449 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.4 pt20 -92.36 156.83 16.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.523 ' HH ' ' HZ ' ' A' ' 93' ' ' PHE . 78.3 t80 -130.58 119.26 22.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.018 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.41 133.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.765 -176.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.3 p -132.31 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.322 0.582 . . . . 0.0 111.502 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.464 ' HA ' ' O6 ' ' A' ' 500' ' ' GNP . 34.0 t -130.57 118.39 20.96 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.424 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.9 -18.93 60.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.525 -176.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -78.22 -48.68 15.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.981 0.419 . . . . 0.0 110.455 -178.201 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.8 p -81.71 -18.25 45.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.633 178.023 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 63.4 67.73 0.64 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.17 178.118 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.96 136.9 46.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.559 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 72.5 -2.73 2.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.05 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.472 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 59.4 t -66.98 -35.64 75.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.271 0.558 . . . . 0.0 109.67 179.384 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.46 -36.51 79.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -72.53 -53.65 11.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.539 -173.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.27 -35.74 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.472 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 45.6 m-85 -74.03 -55.64 5.89 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.042 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.527 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 20.8 m-85 -61.59 -39.6 91.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.425 -175.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.63 -50.95 71.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.679 0.276 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.557 ' O ' HG13 ' A' ' 176' ' ' ILE . 34.4 tp -64.6 -40.26 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 178.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 58.1 mtp -61.18 -33.1 72.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.258 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 3.6 mmt-85 -68.04 -48.74 64.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 175.185 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 7.3 mm-40 -60.27 -33.73 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.7 mt -57.64 -35.5 50.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 110.109 175.466 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -70.7 -44.3 67.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.7 m -55.87 -42.37 75.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.243 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 55.9 mmtt -68.36 -39.65 81.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.518 -178.462 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.93 -22.34 59.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.69 ' HA ' ' HB3' ' A' ' 184' ' ' ASN . 72.6 mtm -85.72 -1.79 57.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 177.592 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.7 t -56.34 -66.05 0.5 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.4 75.58 3.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.053 0.93 . . . . 0.0 108.79 171.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.69 ' HB3' ' HA ' ' A' ' 181' ' ' MET . 32.3 t30 -166.14 -43.18 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.296 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 C--O 1.248 0.998 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.813 168.422 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 1.7 p -88.51 56.77 3.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.974 0.416 . . . . 0.0 110.279 178.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.88 -67.24 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.325 -175.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.434 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.4 m -90.2 -23.72 21.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.145 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -58.75 -31.39 68.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.712 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.48 69.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.58 94.55 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.126 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' B' ' 442' ' ' LYS . 47.4 mm -60.15 -46.88 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 0.0 110.79 177.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.477 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.3 mttt -65.44 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -36.99 85.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.661 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.402 ' HB3' HD21 ' B' ' 439' ' ' LEU . 42.5 mt-10 -63.46 -46.81 84.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.128 174.015 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 85.5 mt -53.69 -52.69 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 176.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 66.8 mtp180 -56.77 -40.65 76.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.117 0.484 . . . . 0.0 110.824 178.484 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -58.81 -46.54 87.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.427 ' HB2' HD23 ' B' ' 436' ' ' LEU . 30.6 mm-40 -76.79 -30.88 56.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.7 mt-10 -59.85 -39.61 85.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.019 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.59 -50.01 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 175.387 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.553 ' HB2' HG23 ' B' ' 432' ' ' VAL . 55.7 mt -60.66 -46.09 91.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.709 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 48' ' ' ALA . 1.8 tm? -61.1 -43.91 98.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 109.226 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.69 -46.75 88.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.269 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -59.73 -55.52 33.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.638 -174.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -60.16 -38.17 82.35 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.75 0.31 . . . . 0.0 111.125 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.88 -44.62 96.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.85 -178.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.99 -37.09 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.38 -47.86 82.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.24 0.543 . . . . 0.0 111.163 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.632 HD21 ' HA ' ' B' ' 421' ' ' LYS . 48.5 mt -75.09 -25.71 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.997 -174.654 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.07 -9.64 7.94 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.65 13.02 49.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.315 177.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.01 41.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.57 144.07 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -177.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.632 ' HA ' HD21 ' B' ' 416' ' ' LEU . 17.7 pttm -157.73 157.58 33.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.401 0.619 . . . . 0.0 110.909 169.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.498 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.5 t70 -147.61 162.88 38.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.288 -178.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.76 -29.86 69.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.784 0.325 . . . . 0.0 111.167 -173.392 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.466 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 22.2 t -68.05 -32.29 72.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.656 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 16.8 mmtt -74.05 -52.39 12.83 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 -178.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 34.7 mt-10 -58.03 -46.99 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.643 -173.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.58 -36.76 76.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 178.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.555 ' O ' HG12 ' B' ' 432' ' ' VAL . 21.0 tpp180 -63.91 -42.2 97.47 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.386 178.581 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.477 HD11 HD11 ' B' ' 416' ' ' LEU . 8.2 mt -55.38 -51.85 65.49 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.718 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.711 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 16.2 m95 -66.37 -40.93 90.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.148 178.535 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.489 ' O ' HG13 ' B' ' 435' ' ' ILE . 36.3 tt0 -59.59 -56.12 25.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -176.819 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.3 p -63.11 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.323 0.582 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.515 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 21.9 tp60 -54.24 -52.98 59.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.415 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.99 -32.79 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.094 -178.727 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.4 mt -62.1 -41.97 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.306 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.3 -47.93 82.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.841 178.291 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.464 HG21 ' HA ' ' B' ' 434' ' ' ARG . 14.6 t -73.77 -32.83 63.99 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 -177.276 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.57 -37.48 86.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.207 0.527 . . . . 0.0 109.998 176.246 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.573 HD12 ' CD ' ' B' ' 442' ' ' LYS . 1.4 mp -62.78 -34.91 78.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.153 176.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.55 -38.57 84.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.039 174.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -68.54 -41.27 80.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.407 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.573 ' CD ' HD12 ' B' ' 439' ' ' LEU . 49.3 mtpt -57.43 -37.13 72.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.739 177.109 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.449 ' CA ' HG22 ' B' ' 398' ' ' ILE . 56.7 tp -63.81 -42.55 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.611 178.294 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 444' ' ' ARG . 50.7 mtp85 -81.92 -2.79 52.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.25 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 -11.82 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.723 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.191 -177.241 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.491 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.73 97.33 11.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.781 0.324 . . . . 0.0 110.443 -178.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -119.54 -42.11 2.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 110.535 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -116.31 31.36 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.952 0.406 . . . . 0.0 110.535 -178.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.2 mt -108.61 -13.66 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -172.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.34 -1.66 41.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.226 0.536 . . . . 0.0 111.488 -177.475 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -128.41 125.74 39.21 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.609 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -128.54 143.34 50.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.39 -177.265 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 62.9 mmtt -118.2 113.04 20.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.113 178.823 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.9 t -113.38 106.3 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.33 0.586 . . . . 0.0 110.302 -179.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -102.35 115.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 48.1 ttm -93.02 120.95 33.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.37 175.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -177.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.43 152.32 6.44 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -97.1 -69.55 0.75 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.909 0.355 . . . . 0.0 110.743 -173.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.57 -84.75 0.49 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.806 179.296 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -126.29 -51.96 0.16 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.222 178.014 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 24' ' ' GLY . 2.7 m 57.02 -2.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.092 1.357 . . . . 0.0 113.792 176.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.652 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 77.28 23.14 69.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.594 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.584 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 18.7 ptpt -58.6 -46.1 87.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.467 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 62.5 m -68.15 -33.33 74.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.684 -176.279 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.74 -45.38 58.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.682 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.617 HD21 ' HB3' ' A' ' 159' ' ' ALA . 91.4 mt -61.12 -43.88 98.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.74 -176.04 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.443 ' HB ' HG22 ' A' ' 66' ' ' ILE . 70.1 p -70.68 -45.57 64.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.484 -175.335 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.4 tm? -55.55 -40.37 71.82 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.165 0.291 . . . . 0.0 110.449 179.156 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.26 -41.61 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.33 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -72.62 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.619 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.32 -46.24 91.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.227 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 82.5 m-85 -110.45 -89.72 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.466 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 26.5 t70 165.36 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.809 0.693 . . . . 0.0 109.707 -172.417 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.5 153.14 18.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -173.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -75.77 123.69 26.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.366 -172.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.12 126.93 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.023 176.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.23 -50.17 3.13 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.751 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -115.82 122.9 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.436 -174.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.36 121.94 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.777 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.1 mt-10 -87.95 -68.47 0.13 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.525 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.777 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 22.1 Cg_exo -63.15 -85.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.584 2.189 . . . . 0.0 114.4 -163.349 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.563 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 37.7 p 49.15 50.87 17.26 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.187 0.595 . . . . 0.0 111.642 -172.024 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -87.0 -54.34 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.537 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' HD22 ' B' ' 409' ' ' LEU . . . -123.55 27.37 7.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.043 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' OD1' ' HA ' ' A' ' 46' ' ' THR . 1.7 m-20 -75.11 96.36 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.282 -175.643 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 78.4 p -106.34 171.43 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 168.586 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -164.82 127.2 2.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -80.88 106.24 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.935 177.383 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.601 ' HB3' HG23 ' A' ' 64' ' ' ILE . 51.4 tptt -99.47 128.67 45.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.082 179.122 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -91.07 124.63 35.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.377 175.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.487 HG23 ' HE2' ' A' ' 173' ' ' MET . 17.2 m -133.58 139.65 48.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 171.4 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.31 107.89 22.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.692 0.758 . . . . 0.0 110.135 -177.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.62 HD11 HH21 ' A' ' 177' ' ' ARG . 88.5 mt -89.26 98.92 12.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.631 -175.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 58.76 16.43 4.43 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.523 172.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.11 -40.96 0.92 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.54 -1.314 . . . . 0.0 114.412 176.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' HG21 ' A' ' 62' ' ' VAL . 5.8 pt-20 -98.93 139.83 34.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.658 0.729 . . . . 0.0 110.832 -175.817 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.46 109.05 14.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 109.795 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.5 t -109.09 150.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.28 -170.705 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.33 127.58 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.279 0.562 . . . . 0.0 111.409 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 53' ' ' LYS . 5.2 tt -117.54 139.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.961 178.332 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.515 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 38.1 t0 -121.03 147.12 45.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 50' ' ' SER . 96.9 mt -131.46 140.08 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.792 0.33 . . . . 0.0 111.747 -171.181 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -118.74 122.8 43.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 173.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 30.1 t70 -88.68 103.17 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 174.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -75.91 143.48 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -168.065 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.24 114.35 26.43 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.872 171.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 71.24 2.95 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.61 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -146.05 159.04 43.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.808 0.337 . . . . 0.0 111.096 -179.679 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.46 -24.05 61.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.109 -179.055 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.464 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.5 m-20 -58.14 -78.96 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.585 0.707 . . . . 0.0 111.779 -176.261 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.521 ' H ' HD11 ' A' ' 72' ' ' LEU . 90.7 m-85 -82.08 62.06 5.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.736 -174.316 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.98 -20.27 62.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.39 175.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.957 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -62.93 -25.33 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.558 177.337 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.646 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 20.2 mt -78.03 -26.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.13 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -92.89 -65.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.612 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.36 -53.01 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -174.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.957 HD21 ' HA ' ' A' ' 77' ' ' ALA . 63.1 m-80 -77.11 -18.34 58.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.812 -170.156 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.646 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 31.8 m-85 -93.36 -36.6 12.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 122.189 -0.32 . . . . 0.0 111.769 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 6.7 m-30 -58.17 -25.38 61.46 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.575 0.226 . . . . 0.0 111.172 -179.083 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.454 ' HD3' ' OE2' ' B' ' 426' ' ' GLU . 4.6 mmp_? -47.89 -63.1 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.502 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.499 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -89.55 17.39 6.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.513 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.05 159.12 33.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.885 178.148 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -115.96 -75.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.741 0.305 . . . . 0.0 110.352 -177.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.522 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.67 150.01 16.72 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.511 -174.655 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -129.36 134.96 48.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.0 111.638 -176.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 124' ' ' LEU . 79.7 mt -101.87 111.19 23.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.079 174.624 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 mp -81.23 105.58 12.54 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 126' ' ' VAL . 64.1 t -118.33 139.56 45.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.544 -175.066 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 44.7 p90 -152.17 155.83 38.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.96 177.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 m -89.45 144.52 25.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.418 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.95 5.46 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.967 0.413 . . . . 0.0 111.411 -179.77 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 135' ' ' ARG . 16.7 p -107.54 -34.31 7.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 110.338 172.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -77.88 93.27 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.785 177.576 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.18 -28.82 62.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.441 -173.129 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.43 -45.17 88.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 p -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.923 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -65.66 -47.62 74.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.354 177.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.6 m -67.99 -35.41 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.492 178.609 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.77 63.23 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.567 -175.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.415 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 38.3 p -56.83 -44.82 82.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.9 78.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.52 . . . . 0.0 110.427 178.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.92 -36.47 72.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.108 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.499 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.7 m-85 -57.09 -40.65 77.37 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.065 177.705 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -55.02 -52.51 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.626 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -32.22 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.855 -179.24 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.365 0.603 . . . . 0.0 109.845 179.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.3 mt -71.87 -52.45 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.355 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.594 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.5 mp -64.95 -15.41 62.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.984 0.421 . . . . 0.0 111.687 -179.432 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -71.1 -30.24 66.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.584 177.167 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.65 -15.46 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.984 -175.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HB2' ' OE2' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -154.37 132.41 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.349 . . . . 0.0 110.533 -179.361 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.81 -39.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.731 -178.352 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.09 69.58 9.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.557 0.694 . . . . 0.0 110.408 -176.26 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.619 ' OE2' ' HB2' ' A' ' 115' ' ' LYS . 9.4 pt-20 -149.86 -158.24 0.9 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.67 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.489 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 60.1 m-20 -60.2 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.523 0.201 . . . . 0.0 111.156 -177.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 13.1 mmtp -168.87 122.58 0.83 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.121 178.651 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 79.5 mt -78.86 113.25 33.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.163 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.522 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 5.0 Cg_endo -87.48 127.83 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.595 2.863 . . . . 0.0 112.377 177.585 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.85 133.8 54.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.236 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -126.68 121.97 33.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD11 ' A' ' 124' ' ' LEU . 10.8 t -89.85 121.54 40.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.086 -178.439 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.83 ' HB ' HG21 ' A' ' 92' ' ' VAL . 41.0 t -120.33 126.07 74.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -174.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 139.88 15.2 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 173.858 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.549 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 57.9 t30 -133.83 161.67 34.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.289 0.545 . . . . 0.0 110.335 -178.345 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 71.51 24.24 3.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.737 0.648 . . . . 0.0 110.907 -176.354 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -61.29 -8.22 3.61 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.05 -16.28 63.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.327 0.584 . . . . 0.0 110.324 174.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.446 HD11 HG23 ' A' ' 96' ' ' THR . 69.5 mt -81.16 50.05 1.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.79 -29.46 68.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.92 -7.36 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.143 -0.348 . . . . 0.0 111.673 -177.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.479 ' O ' HG22 ' A' ' 96' ' ' THR . 94.2 mtt180 -123.77 3.65 8.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.663 -0.415 . . . . 0.0 112.045 -176.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -54.56 114.26 1.61 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.919 0.39 . . . . 0.0 110.638 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -91.67 -29.74 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.365 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.6 p -114.94 121.56 35.13 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.874 178.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.83 122.6 12.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.509 2.14 . . . . 0.0 111.148 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.615 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -72.24 -7.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 -174.647 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -56.16 -60.12 3.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.118 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -19.45 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.07 0.462 . . . . 0.0 110.911 -178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.15 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.106 174.76 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 46.5 mtp180 -67.16 -37.07 83.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.847 175.394 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 21.0 t -59.7 -44.93 93.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.838 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -54.78 -48.87 72.14 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.47 ' HB1' HG22 ' A' ' 152' ' ' VAL . . . -58.7 -38.94 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.873 176.589 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.98 -34.58 75.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 -179.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 145' ' ' SER . 44.2 mt-10 -63.9 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 178.363 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -89.89 -6.95 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -177.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.71 25.38 50.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.736 177.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.47 HG22 ' HB1' ' A' ' 147' ' ' ALA . 19.7 m -117.01 -178.88 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-O 120.953 0.406 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.645 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -100.19 151.48 21.38 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 -178.469 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 74.7 t80 -122.75 128.48 50.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.804 175.558 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.4 133.76 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.292 -178.755 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -91.52 136.33 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.9 p -128.88 154.95 46.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.124 0.488 . . . . 0.0 110.978 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -135.93 100.1 4.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.136 174.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.617 ' HB3' HD21 ' A' ' 30' ' ' LEU . . . -59.95 -21.02 60.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.27 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -63.41 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.838 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.4 p -112.6 3.12 16.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.192 -178.052 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.62 20.49 12.26 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.675 -177.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.2 118.05 15.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.726 -176.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 66.73 8.14 5.72 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.284 175.005 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.28 -46.26 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 111.676 -174.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -75.9 -22.72 55.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.217 -176.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -60.19 -53.67 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.145 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.57 -25.96 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -74.41 -42.42 59.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 177.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.95 -41.09 78.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -48.6 81.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.05 -37.14 86.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.321 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.487 ' HE2' HG23 ' A' ' 55' ' ' VAL . 63.0 mtm -66.78 -31.08 71.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.308 179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -69.0 -39.11 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.621 177.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.546 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.0 mm-40 -53.6 -48.5 69.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 111.375 172.527 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.5 mt -55.96 -34.95 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.62 HH21 HD11 ' A' ' 57' ' ' LEU . 82.9 mtt-85 -68.97 -50.17 51.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -60.79 -36.38 78.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.546 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.8 mptt -64.56 -46.93 80.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.265 178.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.4 mmtt -74.1 -33.12 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.852 -175.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.4 mtm -85.21 -23.49 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.695 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 9.4 t 63.93 -161.24 0.29 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.915 0.759 . . . . 0.0 110.117 -177.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -96.2 -18.51 20.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -178.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -87.19 36.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.936 -177.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 185' ' ' LYS . 3.8 ptmm? . . . . . 0 C--O 1.252 1.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.681 178.212 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.464 ' H3 ' ' CD ' ' B' ' 393' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.6 p -137.34 18.24 2.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -177.177 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 3.4 mp0 -54.22 -52.43 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.328 -179.684 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.504 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.4 m -75.65 -37.41 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.28 -38.35 71.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.546 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.957 178.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.88 -40.85 99.78 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.893 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.622 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.3 mm -54.12 -51.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.678 0.275 . . . . 0.0 110.753 177.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.2 mttm -57.34 -41.55 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.696 -178.28 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.34 -35.62 73.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.58 0.229 . . . . 0.0 111.465 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.7 mt-10 -70.26 -34.56 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.867 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.622 HG13 ' O ' ' B' ' 398' ' ' ILE . 59.0 mt -57.94 -50.47 77.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 171.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 70.0 mtm180 -57.33 -37.21 72.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.458 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.0 ttm180 -58.99 -49.36 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 177.124 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 52.0 mm-40 -72.85 -35.92 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.481 ' HG2' HD21 ' B' ' 436' ' ' LEU . 64.0 mt-10 -60.77 -38.08 84.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.699 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.24 -49.86 25.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.162 176.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 84.9 mt -57.61 -46.1 84.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -178.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.643 HD11 ' HH ' ' A' ' 82' ' ' TYR . 29.9 tp -72.36 -33.04 66.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.369 -178.551 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.67 -41.5 99.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.107 175.835 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 8.9 t -60.66 -53.54 56.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 1.8 mm? -52.25 -40.95 62.38 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 175.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -62.33 -44.57 96.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.152 177.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 61.8 mtt180 -77.46 -51.07 11.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.9 -46.47 89.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 0.0 111.794 -176.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.692 ' HG ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 mp -67.73 -25.64 65.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 -174.427 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 35.1 mt-30 -57.84 -24.63 58.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.803 0.335 . . . . 0.0 110.492 174.842 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.45 -12.48 77.12 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.181 -176.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.53 0.23 62.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.677 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.8 116.42 7.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.563 ' HA ' ' HD3' ' B' ' 425' ' ' LYS . 19.3 ptpt -121.12 142.42 49.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 122.236 1.017 . . . . 0.0 113.567 -174.426 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.648 ' O ' ' HG2' ' B' ' 425' ' ' LYS . 11.1 t70 -150.18 167.73 26.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.218 -1.81 . . . . 0.0 106.534 173.445 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.97 -31.5 66.34 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 118.926 0.784 . . . . 0.0 109.13 171.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.482 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 5.9 m -66.0 -32.37 73.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.846 -177.407 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.692 ' HD2' ' HG ' ' B' ' 416' ' ' LEU . 20.0 pttp -63.58 -46.7 84.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 111.122 -174.219 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' B' ' 425' ' ' LYS . 1.7 pt-20 -72.45 -40.13 67.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -177.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.2 mt-10 -62.1 -45.46 93.38 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.039 176.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.524 ' O ' HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -71.16 -29.21 64.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.046 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.437 HD23 ' CZ ' ' A' ' 82' ' ' TYR . 1.3 mt -56.45 -50.34 72.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 O-C-N 123.345 0.403 . . . . 0.0 109.975 175.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.592 ' CZ3' ' HD2' ' A' ' 16' ' ' LYS . 80.3 m95 -71.2 -32.09 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.534 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.699 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 45.6 mt-10 -63.8 -56.63 14.0 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.063 -178.627 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -65.08 -33.46 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 109.953 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.293 177.061 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.699 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 0.4 OUTLIER -70.94 -27.36 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.471 -176.545 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' B' ' 432' ' ' VAL . 31.5 mt -75.0 -39.55 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.054 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.4 tm? -57.66 -49.34 76.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.1 t -70.44 -36.27 73.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 -178.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.55 -37.56 87.05 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.979 177.263 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.815 ' HA ' ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -65.28 -41.1 94.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.321 -178.896 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.9 -29.67 68.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.313 177.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.449 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.5 OUTLIER -68.24 -43.18 78.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.815 ' HD3' ' HA ' ' B' ' 439' ' ' LEU . 25.8 mtpp -58.44 -31.49 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.78 175.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.609 ' HB2' HD12 ' B' ' 402' ' ' ILE . 2.5 tm? -68.6 -40.25 80.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.077 178.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -81.47 -3.52 53.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 177.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.449 ' HB2' HH11 ' B' ' 441' ' ' ARG . 6.0 tp10 -91.92 -17.25 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.974 175.631 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.984 -177.333 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.652 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.442 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.55 124.32 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.349 . . . . 0.0 110.06 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.4 t -72.03 -54.27 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.858 -173.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -83.7 81.45 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.287 0.565 . . . . 0.0 110.892 -172.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.7 mt -125.0 6.57 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.729 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 62' ' ' VAL . . . -84.11 6.53 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.135 -172.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.3 108.73 20.45 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HD1' HD12 ' A' ' 176' ' ' ILE . 82.2 m-70 -116.25 148.82 40.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.462 . . . . 0.0 111.928 -173.238 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -131.45 107.16 8.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.715 174.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -118.05 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.526 0.679 . . . . 0.0 110.322 -178.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG23 ' CE1' ' A' ' 83' ' ' PHE . 75.0 mt -104.68 114.95 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.983 -178.088 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.8 ttm -85.96 127.81 34.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 175.685 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.78 166.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.035 0.445 . . . . 0.0 111.3 -176.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.46 161.44 22.92 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 m -82.6 17.94 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.367 0.603 . . . . 0.0 110.447 -176.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.52 -70.45 0.51 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.376 -176.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.56 -99.8 0.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.454 -0.403 . . . . 0.0 113.37 -177.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m 50.42 18.11 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.036 1.334 . . . . 0.0 113.656 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.26 19.53 78.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.158 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 16.3 ttpp -84.81 57.38 4.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.024 0.916 . . . . 0.0 110.046 -173.7 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.582 ' HB2' ' O1A' ' A' ' 500' ' ' GNP . 4.9 m -156.65 -34.23 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.914 -1.494 . . . . 0.0 109.487 167.797 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.77 -55.16 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 178.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.39 -37.79 78.87 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.571 ' HB ' HG22 ' A' ' 66' ' ' ILE . 53.1 p -66.87 -48.67 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.045 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CB ' HG23 ' A' ' 40' ' ' VAL . 87.4 mt -67.72 -30.77 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.733 179.407 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.683 HE22 ' HA ' ' A' ' 39' ' ' PHE . 21.1 mm-40 -58.52 -43.19 89.1 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.667 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' HE2' HG23 ' A' ' 64' ' ' ILE . 59.5 t80 -72.69 -23.52 60.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.354 . . . . 0.0 111.086 -177.169 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.579 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 65.8 mtm -96.26 -43.97 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.449 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -88.46 -13.61 39.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.082 -179.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 72.8 -39.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.964 0.79 . . . . 0.0 112.031 177.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -97.43 172.41 7.78 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 122.401 0.28 . . . . 0.0 110.938 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.683 ' HA ' HE22 ' A' ' 33' ' ' GLN . 46.7 t80 -75.5 145.4 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -177.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' CB ' ' A' ' 32' ' ' LEU . 60.6 t -99.61 132.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.624 -171.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -87.91 -68.45 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 175.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -134.62 128.21 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 111.75 -179.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -156.34 91.57 1.26 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.6 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 38.7 tt0 -71.6 -53.6 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -172.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 32.3 Cg_exo -58.55 96.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.07 1.847 . . . . 0.0 112.785 -175.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.551 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 15.8 p -144.76 27.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.166 177.431 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -86.75 -56.24 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 110.691 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.83 27.46 6.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.626 178.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.86 107.4 18.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.696 -170.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 30.8 m -93.26 166.77 12.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.612 171.603 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 40.3 t80 -154.71 141.91 19.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.161 178.433 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 52' ' ' ARG . 38.0 mtp-105 -100.99 121.25 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.306 -175.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 54.5 tptt -107.31 133.42 51.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.036 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -99.87 127.94 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.174 176.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.92 163.44 37.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.39 113.33 43.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.669 176.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.6 94.99 9.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 23.07 76.71 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.245 1.591 . . . . 0.0 114.054 -176.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.26 -52.66 0.82 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.14 -1.029 . . . . 0.0 114.349 173.395 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.16 147.48 26.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.566 0.683 . . . . 0.0 111.899 -170.138 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.41 114.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.546 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 10.0 t -106.65 141.4 21.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.831 -171.36 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.47 117.65 32.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -119.39 113.16 40.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.333 0.587 . . . . 0.0 109.599 174.717 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.77 131.13 45.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.836 -178.754 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG22 ' HB ' ' A' ' 31' ' ' THR . 37.6 mm -107.54 128.62 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.093 -174.346 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.0 tp -109.83 122.89 48.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 176.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.551 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 t0 -94.76 112.75 24.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.24 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 p -86.74 116.61 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.447 . . . . 0.0 112.073 -175.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.65 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 174.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 88.44 0.91 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.195 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -157.99 165.43 35.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -178.917 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.22 -3.55 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.458 178.119 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.2 m-20 -57.13 -70.05 0.14 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.253 176.684 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.672 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.0 m-85 -83.02 -52.53 6.58 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.775 -176.409 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.04 -38.35 0.33 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.592 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -56.55 -30.2 62.84 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.411 0.685 . . . . 0.0 112.207 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.52 -28.44 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.135 -178.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -93.86 -65.95 0.95 Allowed 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.461 178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -74.84 -52.34 11.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.245 0.545 . . . . 0.0 111.62 -172.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.773 ' HB3' HD21 ' B' ' 416' ' ' LEU . 90.1 m-20 -72.01 -16.28 62.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.392 -171.201 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.531 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.2 m-85 -91.53 -33.57 15.11 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.086 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HB2' HG22 ' A' ' 114' ' ' VAL . 11.1 m-30 -59.25 -28.46 66.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -169.232 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -60.79 -42.7 98.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.249 -0.181 . . . . 0.0 111.446 -173.131 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 19.9 m -84.89 12.97 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.823 0.344 . . . . 0.0 111.811 -177.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -156.95 29.57 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 174.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -164.88 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.084 0.442 . . . . 0.0 110.18 178.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.08 138.44 14.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.944 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.72 137.86 49.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 0.0 111.932 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -108.1 112.88 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.912 176.861 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.3 106.27 18.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG23 ' HB ' ' A' ' 126' ' ' VAL . 58.3 t -112.04 132.17 61.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.077 -175.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' HZ ' ' HH ' ' A' ' 154' ' ' TYR . 39.1 p90 -144.4 164.98 29.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.731 178.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -99.97 142.67 31.14 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.467 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.65 13.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 111.207 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.578 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 30.4 p -126.53 -30.39 2.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 175.136 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -82.53 97.19 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.58 -29.99 70.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.066 -174.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -68.48 -31.54 70.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.809 0.338 . . . . 0.0 110.412 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -73.77 -31.2 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.075 177.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.93 -47.95 73.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -68.08 -28.0 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.166 0.508 . . . . 0.0 110.781 178.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.36 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.462 -177.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 29.1 p -55.8 -40.79 73.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 111.521 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.25 98.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 176.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.43 -43.79 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -60.62 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.203 177.415 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -57.47 -53.92 52.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.754 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.95 -34.26 77.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.963 -176.925 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -38.32 83.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.924 0.392 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.481 HG21 HD12 ' A' ' 121' ' ' ILE . 65.5 mt -66.64 -40.18 85.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.896 -178.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.23 -10.35 59.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.064 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -76.96 -45.64 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.172 0.51 . . . . 0.0 110.056 174.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.63 HG22 ' HB2' ' A' ' 83' ' ' PHE . 34.7 m -89.05 -27.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 -173.647 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' CG ' ' HG3' ' A' ' 118' ' ' GLU . 45.7 mttm -103.14 -98.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.274 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.14 -52.63 0.47 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.865 0.866 . . . . 0.0 113.092 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -82.27 7.95 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 111.565 -177.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.477 ' HG3' ' CG ' ' A' ' 115' ' ' LYS . 6.4 mm-40 -82.38 -178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.99 -177.448 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.73 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 178.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -144.25 138.99 28.38 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -178.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.481 HD12 HG21 ' A' ' 111' ' ' ILE . 36.9 mt -113.08 108.46 53.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.329 -178.167 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.05 111.28 0.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.599 2.866 . . . . 0.0 112.42 177.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.36 121.62 44.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.736 177.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 90' ' ' LEU . 3.4 tt -106.21 121.84 44.99 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.24 118.15 34.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.287 0.565 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.584 ' HB ' HG23 ' A' ' 92' ' ' VAL . 47.5 t -111.52 122.93 66.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.88 -175.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.0 109.33 3.68 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.42 162.93 12.54 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.628 -0.336 . . . . 0.0 110.568 -176.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.595 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 10.9 mmtt 72.6 29.47 2.02 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.771 0.669 . . . . 0.0 111.57 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.425 ' HB2' ' HG ' ' A' ' 158' ' ' SER . 64.1 m -63.81 -3.32 2.32 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 178.615 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.73 -5.53 43.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.313 0.578 . . . . 0.0 110.265 173.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.595 ' HG ' ' HD2' ' A' ' 129' ' ' LYS . 84.3 mt -99.6 35.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.075 173.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.78 -22.62 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -91.91 -25.63 18.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -103.62 17.1 24.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.513 -173.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.546 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 40.6 ttp180 -48.55 113.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.789 0.681 . . . . 0.0 111.228 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.578 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 21.7 tm0? -88.08 -40.62 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 126.46 28.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.019 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.546 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 69.4 Cg_exo -52.02 116.82 3.03 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.72 2.28 . . . . 0.0 111.81 178.508 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.9 OUTLIER -69.6 -18.83 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.34 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -60.01 -52.15 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.588 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.9 pt-20 -70.38 -30.12 66.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.126 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.4 93.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.096 175.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 18.9 mtp180 -60.34 -47.18 87.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.112 172.745 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 7.7 t -63.42 -17.96 63.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.206 -177.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 51.0 mmtt -79.95 -40.79 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.866 175.795 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.458 ' HB3' HG23 ' A' ' 152' ' ' VAL . . . -63.71 -39.86 95.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 109.042 171.375 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.527 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 36.7 tt0 -59.62 -43.99 93.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.615 173.699 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.52 -41.79 81.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.178 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -88.44 -6.21 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.803 -176.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.38 39.55 42.6 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.997 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.458 HG23 ' HB3' ' A' ' 147' ' ' ALA . 31.1 m -121.16 -173.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.189 0.519 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.62 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 1.7 pm0 -95.68 145.73 25.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.462 178.274 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HH ' ' HZ ' ' A' ' 93' ' ' PHE . 68.3 t80 -126.82 121.34 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.969 177.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 40.0 t -127.78 135.58 62.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.89 143.71 28.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.349 175.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 16.4 p -131.36 136.34 47.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.2 0.524 . . . . 0.0 110.875 -179.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.425 ' HG ' ' HB2' ' A' ' 130' ' ' SER . 19.4 m -121.82 100.93 7.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.102 178.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.79 -18.36 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -73.78 -17.28 61.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.214 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.5 p -132.55 -0.83 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -176.39 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 61.94 30.8 18.17 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.851 0.834 . . . . 0.0 110.212 -178.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.59 128.35 38.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.618 -177.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 68.78 6.71 5.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.333 173.663 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.69 -37.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 110.807 -177.119 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.83 -29.78 56.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.61 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.46 -43.14 97.19 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -175.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.13 -30.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.642 0.258 . . . . 0.0 111.59 -175.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -75.17 -43.11 54.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.612 0.244 . . . . 0.0 110.725 178.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -64.89 -45.66 85.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.165 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.09 -48.87 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.45 HD12 ' HB2' ' A' ' 124' ' ' LEU . 39.7 tp -65.13 -32.84 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 -178.688 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.424 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.0 mtm -65.31 -36.35 83.78 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.842 176.786 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.8 mmm-85 -70.09 -34.84 73.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.456 177.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.623 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.5 mm-40 -56.68 -43.29 80.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 172.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.487 HD12 ' HD1' ' A' ' 15' ' ' HIS . 73.5 mt -61.36 -33.69 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -61.82 -50.64 71.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.977 0.418 . . . . 0.0 110.146 177.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 19.0 m -60.8 -44.58 96.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.878 -178.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.623 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.5 mptt -62.9 -45.38 92.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.412 -178.719 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.31 -35.89 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.407 179.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.0 mtm -88.11 0.54 55.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.105 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 183' ' ' GLU . 73.9 m -67.99 76.89 0.22 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.671 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 182' ' ' SER . 31.0 tt0 174.86 71.01 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.946 0.898 . . . . 0.0 109.033 168.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.68 79.3 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -177.442 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt . . . . . 0 N--CA 1.442 -0.84 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.03 177.903 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.569 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 50.6 m -81.5 59.4 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.328 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.84 -40.02 72.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.592 ' O ' HG12 ' B' ' 398' ' ' ILE . 6.2 m -77.17 -43.64 33.15 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 -179.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.6 mt-30 -62.66 -32.85 73.98 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.066 177.088 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -53.2 -55.05 27.35 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.136 0.273 . . . . 0.0 110.635 177.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.84 94.19 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 178.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.592 HG12 ' O ' ' B' ' 394' ' ' THR . 41.8 mm -63.22 -50.2 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.509 178.041 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.2 mttt -60.04 -36.67 77.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.9 mt-10 -58.75 -46.73 86.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.789 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.72 -45.53 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.132 178.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.63 HD12 ' HB2' ' B' ' 443' ' ' LEU . 98.1 mt -55.86 -53.41 38.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.566 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.459 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.9 mmm180 -64.11 -30.58 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.634 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 26.8 ttt180 -66.09 -51.38 58.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.137 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.403 ' OE1' HD11 ' B' ' 408' ' ' LEU . 71.3 mm-40 -75.76 -27.29 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -176.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.459 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -59.18 -46.87 87.27 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.84 -44.41 73.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.677 178.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.7 mt -58.51 -50.73 72.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.967 -179.343 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.531 HD11 ' OH ' ' A' ' 82' ' ' TYR . 18.0 tp -66.8 -33.67 76.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.788 178.229 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 57.6 t30 -66.46 -46.28 76.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.114 179.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 411' ' ' SER . . . . . 0.545 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 9.3 t -59.74 -43.79 94.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.252 -178.197 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.554 HD11 ' HG3' ' B' ' 428' ' ' ARG . 71.9 mt -60.72 -41.09 94.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.413 175.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.697 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 22.8 m-70 -58.97 -45.74 89.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.729 176.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.545 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 76.0 mtm180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.489 0.493 . . . . 0.0 111.524 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.69 -43.77 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.315 0.579 . . . . 0.0 111.139 -176.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.773 HD21 ' HB3' ' A' ' 81' ' ' ASN . 10.8 mp -78.56 -24.15 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.513 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 71.3 mt-30 -55.45 -33.01 63.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 178.561 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.84 0.11 72.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.743 -177.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.95 -13.12 59.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.766 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.2 mt -79.15 115.52 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.954 0.407 . . . . 0.0 110.313 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.667 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -142.99 154.23 43.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 177.29 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.569 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 15.8 t70 -148.21 164.36 34.19 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.748 -177.372 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.1 -34.47 74.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 19.1 t -64.79 -32.38 74.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.692 ' HB3' HD12 ' B' ' 416' ' ' LEU . 19.4 mmtp -71.96 -53.25 13.64 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.015 0.435 . . . . 0.0 110.523 -175.695 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.433 ' HA ' HD11 ' B' ' 429' ' ' LEU . 15.4 mt-10 -60.97 -44.64 97.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.119 -172.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.82 -33.02 62.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.916 -177.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.615 ' O ' HG12 ' B' ' 432' ' ' VAL . 28.2 tpt180 -69.6 -34.67 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.043 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.652 HD12 HD22 ' B' ' 416' ' ' LEU . 17.3 mt -55.94 -57.03 13.81 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.335 177.689 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.654 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 80.9 m95 -64.41 -30.43 71.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.491 179.685 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 41.7 tt0 -66.5 -55.58 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.481 0.182 . . . . 0.0 111.285 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.615 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.9 p -65.07 -32.94 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.549 . . . . 0.0 109.892 177.755 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -54.45 -51.51 64.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.519 176.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -68.74 -27.02 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.373 -177.376 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.605 HD11 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -72.12 -46.87 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.455 176.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.3 -41.04 79.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.268 179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.466 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 11.9 t -74.2 -35.63 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -177.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -63.59 -35.14 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.361 0.601 . . . . 0.0 109.598 176.007 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.911 HD23 ' HD3' ' B' ' 442' ' ' LYS . 84.1 mt -66.45 -34.8 78.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.417 178.191 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.57 -38.88 82.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.921 HH11 ' HG3' ' B' ' 445' ' ' GLU . 6.8 tmm_? -64.45 -47.41 79.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 176.554 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.911 ' HD3' HD23 ' B' ' 439' ' ' LEU . 48.2 mtpt -58.57 -40.22 82.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.23 -179.225 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.63 ' HB2' HD12 ' B' ' 402' ' ' ILE . 64.7 tp -60.43 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.987 0.423 . . . . 0.0 111.2 -179.3 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -81.6 -5.96 58.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -178.417 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.921 ' HG3' HH11 ' B' ' 441' ' ' ARG . 2.1 tm-20 -83.96 -29.67 26.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.238 -178.108 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.011 -177.988 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.582 ' O1A' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -155.49 -75.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -157.22 -63.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.611 177.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.482 ' HB2' ' HD2' ' A' ' 180' ' ' LYS . 4.3 p -77.1 10.45 2.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.368 0.604 . . . . 0.0 111.281 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.4 mt -101.56 -6.53 23.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.008 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.76 59.38 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.459 0.647 . . . . 0.0 111.209 -177.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.35 115.04 12.01 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.062 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -102.72 114.27 28.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -82.58 117.42 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.526 -176.118 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' A' ' 66' ' ' ILE . 96.3 t -125.38 107.12 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.935 176.701 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 ' CE2' ' A' ' 89' ' ' PHE . 61.4 mt -98.55 121.57 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.479 ' SD ' HD12 ' A' ' 90' ' ' LEU . 89.1 mmm -89.98 104.95 17.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.553 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 90' ' ' LEU . 22.9 m -95.41 162.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -178.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.61 147.44 4.98 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.571 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.494 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 16.3 t -60.47 -44.99 95.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.305 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.73 -88.9 0.99 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.858 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . -175.19 63.13 0.1 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.493 178.29 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' OD1' ' A' ' 128' ' ' ASN . 21.3 t -55.61 -57.07 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 178.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.51 0.73 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.858 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 56.7 mtpt -85.3 -77.2 0.29 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.614 0.245 . . . . 0.0 111.285 -176.272 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -74.76 -10.15 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.854 -177.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.53 -48.65 47.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.753 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 HG11 ' A' ' 165' ' ' VAL . 89.1 mt -73.03 -30.97 64.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.42 -175.509 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 35' ' ' MET . 20.4 p -63.71 -44.12 94.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.245 . . . . 0.0 111.238 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.67 -39.6 94.43 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.317 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.746 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.1 mm-40 -59.35 -40.41 86.29 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-O 121.2 0.524 . . . . 0.0 110.459 177.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -71.17 -17.35 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.546 -178.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 31' ' ' THR . 86.3 mtp -93.76 -47.71 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.143 -0.348 . . . . 0.0 111.819 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -114.9 -11.72 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.25 0.57 2.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.838 0.455 . . . . 0.0 111.32 -173.138 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' HH11 ' A' ' 162' ' ' ARG . 16.1 mm-40 -100.3 161.29 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.383 179.389 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.746 ' HA ' HE22 ' A' ' 33' ' ' GLN . 78.8 t80 -76.65 135.46 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.321 179.406 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.57 118.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.374 0.607 . . . . 0.0 110.741 -179.041 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.82 -55.12 3.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.661 -177.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.69 113.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -177.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.849 ' HE2' ' HH ' ' A' ' 51' ' ' TYR . 38.9 t80 -172.22 111.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.266 176.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 41.4 mt-10 -98.69 -56.44 0.17 Allowed Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.322 179.533 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 79.6 Cg_exo -49.57 116.56 2.39 Favored 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.207 2.605 . . . . 0.0 114.782 -171.062 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.84 25.28 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 172.514 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -85.64 -51.33 6.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.449 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' B' ' 409' ' ' LEU . . . -125.42 17.81 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.684 -179.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 172.29 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.129 0.49 . . . . 0.0 111.482 -177.212 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -153.31 156.4 38.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.849 ' HH ' ' HE2' ' A' ' 43' ' ' TYR . 85.3 m-85 -112.57 108.21 17.21 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.485 -175.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' NH1' ' HG3' ' B' ' 441' ' ' ARG . 3.8 ptm180 -90.04 106.58 18.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.861 0.839 . . . . 0.0 110.039 176.641 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -126.16 128.29 47.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.993 -176.324 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -76.1 130.24 38.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.482 . . . . 0.0 110.174 177.415 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.707 HG23 HG21 ' A' ' 62' ' ' VAL . 5.0 m -129.14 141.5 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.499 174.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.565 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 5.9 p -122.78 106.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.626 0.727 . . . . 0.0 110.737 -177.249 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -89.69 99.43 12.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.025 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 55.59 5.62 0.15 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 113.415 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.34 -32.42 0.64 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.361 -0.924 . . . . 0.0 113.123 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 11.9 pt-20 -80.29 113.06 18.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.007 0.403 . . . . 0.0 110.937 -178.603 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.88 101.29 8.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 109.985 174.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.707 HG21 HG23 ' A' ' 55' ' ' VAL . 32.8 m -116.75 -173.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.27 -179.452 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -128.92 150.62 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.311 -179.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.579 HD11 ' SD ' ' A' ' 173' ' ' MET . 18.9 tt -106.73 141.24 22.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.52 109.82 19.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -175.553 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' A' ' 17' ' ' VAL . 39.0 mm -109.62 127.47 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.386 -171.582 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 134.26 53.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.924 175.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -89.77 -172.72 3.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 p -143.31 141.02 30.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.024 0.44 . . . . 0.0 111.519 -179.067 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.7 124.41 29.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.675 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -85.27 50.56 4.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.215 -176.906 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.444 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.86 163.71 37.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.72 7.68 46.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.849 0.356 . . . . 0.0 111.388 -175.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.444 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.4 m-20 -74.46 -69.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.866 172.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 80.3 m-85 -78.23 61.58 2.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.457 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -25.55 67.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.559 178.188 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.654 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.12 -7.17 27.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.535 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.62 -38.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -92.07 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.555 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.86 -48.7 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.317 0.58 . . . . 0.0 111.516 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.654 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.5 m-20 -64.58 -35.3 80.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.833 -171.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' B' ' 429' ' ' LEU . 2.4 m-85 -70.1 -29.0 65.85 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.482 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB3' HG22 ' A' ' 114' ' ' VAL . 15.6 m-30 -58.6 -27.07 64.31 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -175.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 1.8 tmm_? -62.02 -33.78 74.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.552 -172.726 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.487 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 23.3 t -111.92 20.2 17.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.3 172.14 37.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.35 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -120.68 -78.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.786 0.293 . . . . 0.0 110.355 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.26 18.6 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.038 -178.585 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 18' ' ' ILE . 72.4 m-85 -130.78 134.96 47.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.494 0.188 . . . . 0.0 110.716 -176.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.479 HD12 ' SD ' ' A' ' 19' ' ' MET . 63.3 mt -106.76 114.3 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.039 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.64 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.607 179.01 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.616 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -101.52 131.63 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 111.74 -176.242 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -144.85 172.65 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 p -118.63 157.55 27.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.576 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -75.27 13.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.741 179.17 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 135' ' ' ARG . 4.8 p -119.0 -42.15 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 175.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.62 99.43 8.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.014 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.63 -20.98 49.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.035 178.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.54 -39.1 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.144 -178.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 p -67.8 -26.31 66.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.547 177.131 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -70.36 -32.3 69.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.231 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -67.21 -34.17 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.399 0.619 . . . . 0.0 110.01 174.871 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.57 -15.75 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.266 -175.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.9 p -58.17 -42.62 86.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.027 0.441 . . . . 0.0 110.499 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.64 84.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.03 -45.86 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 179.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.489 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.7 m-85 -58.84 -48.46 81.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -51.99 -51.3 58.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.489 -177.233 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.16 -33.92 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -66.95 -34.03 76.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.998 0.428 . . . . 0.0 110.474 176.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 107' ' ' PHE . 94.1 mt -64.57 -44.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.347 177.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.7 mp -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 111.038 177.893 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -79.26 -41.55 27.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 177.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 83' ' ' PHE . 34.2 m -87.71 -26.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.577 -178.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 38.6 mtmt -138.49 120.66 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.539 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.33 115.27 11.49 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.722 -0.391 . . . . 0.0 112.022 -176.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.87 18.81 4.07 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.005 174.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -86.18 -46.73 10.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.595 0.236 . . . . 0.0 111.039 -178.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -135.09 -129.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.749 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 32.5 mmmt -133.36 106.63 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -176.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.425 HG23 ' CG2' ' A' ' 111' ' ' ILE . 38.9 mt -93.61 111.39 52.26 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.934 -173.552 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.417 ' HG3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 Cg_endo -91.01 119.84 0.64 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.347 2.698 . . . . 0.0 112.516 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.76 122.88 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.852 177.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 153' ' ' GLN . 13.9 tp -119.23 123.52 44.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.987 0.422 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.33 117.27 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.762 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.616 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.5 t -105.14 110.12 29.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.614 -176.011 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.26 98.32 2.36 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.494 ' OD1' HG12 ' A' ' 25' ' ' VAL . 7.9 p30 -105.24 -178.83 3.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.271 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 64.0 mmtt 63.88 23.7 13.45 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -174.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 37.2 t -63.99 -1.22 1.38 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.567 -172.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.81 -18.07 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.429 0.633 . . . . 0.0 110.343 179.201 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 96' ' ' THR . 35.1 mt -82.95 79.16 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.107 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.62 -11.99 28.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.568 176.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.921 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.0 pt-20 -98.59 -14.73 19.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.409 -177.291 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.921 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 90.0 mtt180 -127.46 16.27 7.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -172.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.576 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 60.8 ttp180 -60.94 113.84 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.368 -176.24 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 11.9 mm-40 -100.45 -22.7 14.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.339 -178.139 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 2.5 p -109.29 116.48 54.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.656 174.526 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.452 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 19.6 Cg_endo -59.26 118.84 5.79 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.424 2.083 . . . . 0.0 110.607 174.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.473 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -67.54 -8.83 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 -175.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.25 -51.02 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.586 174.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.3 pt-20 -70.83 -27.36 63.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.649 -178.724 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.28 66.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 177.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -67.53 -33.09 74.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 109.784 177.379 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -59.62 -51.38 70.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.087 176.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -55.9 -41.64 74.79 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 174.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.62 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.469 177.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.77 -29.95 67.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.77 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.65 -45.6 93.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -86.1 -21.21 27.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.532 -178.548 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.64 28.71 10.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.435 179.09 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.4 m -112.36 -177.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.498 0.189 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.7 ' HG2' HD12 ' A' ' 124' ' ' LEU . 14.3 pm0 -106.3 159.52 16.06 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.418 -178.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.427 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 46.3 t80 -131.61 124.38 29.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.059 178.498 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.46 128.29 65.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -177.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.36 137.04 32.7 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.265 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.444 HG22 ' HB3' ' A' ' 164' ' ' ASN . 31.9 p -143.87 166.9 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.0 111.573 -175.469 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.3 t -143.95 133.23 23.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 173.133 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -96.45 -3.24 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.401 175.188 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.593 ' HB2' ' C2 ' ' A' ' 500' ' ' GNP . 22.2 tptm -87.09 -57.45 2.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.611 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.5 p -87.6 -7.79 57.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.669 178.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.422 HH11 ' HA ' ' A' ' 38' ' ' GLU . 85.7 mtm180 60.73 90.0 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.529 178.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -156.03 128.43 7.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.857 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.586 ' OD1' ' HE2' ' A' ' 167' ' ' LYS . 32.8 t30 72.46 9.27 5.76 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.151 0.907 . . . . 0.0 112.131 168.479 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 33' ' ' GLN . 55.4 t -63.84 -33.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.82 -173.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.11 -25.76 62.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.009 -173.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.586 ' HE2' ' OD1' ' A' ' 164' ' ' ASN . 19.9 ttmm -62.46 -52.4 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -174.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.471 HG13 HG11 ' A' ' 126' ' ' VAL . 27.0 m -57.91 -33.41 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.21 -56.65 4.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.926 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -63.55 -33.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.33 -51.18 69.92 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.809 176.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.464 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.7 tp -63.29 -41.02 98.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.354 0.597 . . . . 0.0 110.16 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.579 ' SD ' HD11 ' A' ' 64' ' ' ILE . 58.3 mtp -63.7 -33.16 75.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.405 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 10.4 mmm-85 -74.75 -34.71 62.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.126 177.89 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.27 -35.96 76.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 110.283 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 172' ' ' LEU . 70.4 mt -58.37 -28.23 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.07 178.711 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 70.5 mtt180 -61.42 -52.24 65.41 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.3 m -67.82 -36.88 81.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 -178.022 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.749 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -63.28 -55.86 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.594 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.482 ' HD2' ' HB2' ' A' ' 11' ' ' SER . 33.3 mmtm -73.13 -35.4 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.428 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.53 -20.13 54.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.189 178.781 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.3 m 65.12 -174.46 0.18 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.498 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -131.21 86.69 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.104 0.478 . . . . 0.0 110.557 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.74 77.49 2.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.316 -174.833 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.745 ' HB2' ' HB1' ' B' ' 396' ' ' ALA . 4.3 m -70.66 -40.09 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 49.74 -95.49 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.201 172.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 3.0 m -67.93 -45.14 75.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.931 0.396 . . . . 0.0 110.402 -177.101 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.418 ' HG2' ' HB2' ' B' ' 446' ' ' ALA . 53.0 mt-30 -65.76 -29.14 69.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 178.68 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.745 ' HB1' ' HB2' ' B' ' 392' ' ' SER . . . -59.67 -50.88 72.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.696 -179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.11 -42.07 98.21 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.799 178.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.2 mm -59.11 -49.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.442 0.163 . . . . 0.0 111.328 179.019 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.3 mttt -62.27 -36.0 80.7 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -177.136 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.96 -42.22 94.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.345 176.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -70.69 -31.57 68.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.537 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.2 mt -59.05 -50.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.64 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -59.78 -36.62 77.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 176.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 38.3 ttm180 -62.64 -45.9 90.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.533 176.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.437 ' HB2' HD21 ' B' ' 436' ' ' LEU . 34.2 mm-40 -70.2 -38.93 75.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.286 -179.042 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.0 mt-10 -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -57.83 -47.1 83.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.995 176.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.641 ' HB2' HG23 ' B' ' 432' ' ' VAL . 61.0 mt -59.65 -52.21 66.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 48' ' ' ALA . 14.4 tp -64.76 -43.06 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.982 -179.303 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.413 HD22 ' CZ ' ' B' ' 414' ' ' ARG . 13.7 t30 -57.07 -52.38 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.333 179.367 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.1 t -63.56 -47.84 79.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.486 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.454 ' O ' HD11 ' B' ' 416' ' ' LEU . 77.8 mt -58.31 -37.83 75.86 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.034 0.445 . . . . 0.0 110.804 177.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.11 -48.47 75.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.413 ' CZ ' HD22 ' B' ' 410' ' ' ASN . 96.9 mtt180 -73.63 -40.43 63.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.463 -176.3 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.0 -53.63 54.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.37 0.605 . . . . 0.0 110.531 -177.13 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.752 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.9 mp -69.07 -26.73 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.076 -175.504 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.2 mt-30 -68.28 -21.38 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 175.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.64 5.25 53.15 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.383 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.7 5.7 62.82 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.411 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.752 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 47.6 mt -116.72 118.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.464 ' CB ' ' HG ' ' B' ' 416' ' ' LEU . 19.6 pttp -143.4 156.24 44.61 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.427 174.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.613 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.4 t70 -139.73 157.5 45.65 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.388 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.71 -29.91 70.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.956 0.407 . . . . 0.0 110.914 -176.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -66.53 -32.2 73.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.236 178.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 54.5 mmtt -73.07 -46.5 51.27 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.275 -176.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 35.1 mt-10 -62.4 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.988 -175.167 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.04 -41.31 67.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.985 -179.108 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG13 ' B' ' 432' ' ' VAL . 5.7 mmt180 -64.01 -30.47 71.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.975 175.543 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 9.0 mt -56.25 -52.65 63.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.403 0.44 . . . . 0.0 110.155 174.325 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.529 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 65.7 m95 -61.55 -44.6 96.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.268 178.494 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.47 ' O ' HG13 ' B' ' 435' ' ' ILE . 47.0 mt-10 -60.04 -55.05 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.416 -176.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.641 HG23 ' HB2' ' B' ' 408' ' ' LEU . 11.5 p -62.93 -32.14 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 121.148 0.499 . . . . 0.0 110.457 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.509 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.1 tp60 -54.49 -56.33 19.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.398 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.94 -28.74 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.807 -179.288 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' B' ' 432' ' ' VAL . 82.3 mt -61.65 -45.52 98.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.792 175.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.494 ' CD1' ' HE3' ' B' ' 440' ' ' LYS . 3.4 tm? -57.14 -45.4 83.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.833 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.482 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.0 t -75.38 -37.5 60.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 -177.015 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.16 -34.87 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.441 0.638 . . . . 0.0 109.713 176.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' B' ' 442' ' ' LYS . 38.0 tp -70.33 -32.25 69.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.153 178.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' B' ' 436' ' ' LEU . 96.4 mttt -59.98 -38.24 81.97 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 109.486 171.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.415 ' HG3' ' NH1' ' A' ' 52' ' ' ARG . 5.0 tmt_? -64.06 -39.16 93.47 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.548 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.676 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 28.0 mtpp -63.62 -25.19 68.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.815 177.488 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.402 ' HA ' HG21 ' B' ' 398' ' ' ILE . 45.6 tp -67.2 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.176 0.513 . . . . 0.0 109.705 174.09 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -82.86 -3.15 56.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 110.683 175.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.676 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -87.33 -19.13 28.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.769 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.517 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.593 ' C2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.472 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' OE1' ' HB2' ' A' ' 12' ' ' LEU . 48.2 tp60 67.27 97.21 0.06 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.702 0.763 . . . . 0.0 111.634 178.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 m -139.38 -45.27 0.45 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.067 173.503 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.29 36.09 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.035 178.664 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HB2' ' OE1' ' A' ' 9' ' ' GLN . 40.0 mt -78.77 -26.84 44.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.108 -176.582 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.04 6.7 41.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.154 0.502 . . . . 0.0 111.513 -178.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.7 107.07 11.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.742 176.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.674 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 26.6 m-70 -111.35 121.96 46.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -171.666 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -104.51 122.3 45.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.825 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.29 131.12 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.125 0.488 . . . . 0.0 110.836 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.39 123.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.437 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 45.6 mtt -91.05 137.85 32.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.821 0.343 . . . . 0.0 110.549 176.118 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.7 157.12 23.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.229 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.57 -179.41 43.33 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t -93.2 68.29 4.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 -177.211 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.668 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 78.67 -61.68 3.96 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.877 177.905 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.536 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -96.72 -94.1 1.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.586 -176.777 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.491 ' HB ' ' HA ' ' A' ' 93' ' ' PHE . 11.6 m 56.49 -38.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 126.22 1.808 . . . . 0.0 114.262 -177.158 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . 127.17 10.71 3.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.854 -176.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -65.86 -15.89 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' HD23 ' A' ' 32' ' ' LEU . 61.3 m -96.1 -25.3 15.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 111.339 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HB1' HO3' ' A' ' 500' ' ' GNP . . . -72.14 -52.33 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.674 0.273 . . . . 0.0 111.716 -175.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.55 -40.39 94.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.054 -173.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.49 ' HB ' HG22 ' A' ' 66' ' ' ILE . 20.7 p -68.58 -43.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.629 0.252 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.64 -43.49 98.76 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.879 176.736 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.5 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 89.6 t80 -64.18 -25.89 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.253 -178.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.582 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 66.2 mtm -92.09 -48.77 6.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.899 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -83.61 -14.43 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.73 31.8 11.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.86 177.55 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 176.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.53 135.92 36.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.883 -176.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -86.41 132.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.8 -70.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.031 0.443 . . . . 0.0 110.165 -177.524 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.33 107.89 9.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 178.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -154.45 90.93 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.041 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.608 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 47.3 mt-10 -87.6 -51.78 0.41 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.145 -177.382 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.608 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 78.5 Cg_exo -52.0 112.5 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.35 2.033 . . . . 0.0 112.789 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.537 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -152.84 47.83 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.75 175.611 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.509 ' O ' HD12 ' A' ' 78' ' ' ILE . 35.6 ttpt -87.02 -56.7 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.563 -179.156 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.5 16.15 9.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.825 0.821 . . . . 0.0 108.798 174.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.537 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -82.21 79.73 8.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.662 -175.115 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -94.69 159.74 14.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.674 178.114 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -143.26 169.58 17.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 111.709 -175.8 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -123.37 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.298 -173.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.582 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 52.8 tptt -125.29 122.74 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -96.54 122.11 39.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.5 m -129.07 144.62 37.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.87 174.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.37 119.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 121.483 0.658 . . . . 0.0 110.279 178.32 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD23 ' CE1' ' A' ' 170' ' ' PHE . 91.0 mt -103.86 101.97 11.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.163 -176.523 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 69.08 -1.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.5 171.023 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.48 -24.78 1.36 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.948 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.12 135.39 44.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 117.352 0.576 . . . . 0.0 110.736 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.89 109.23 16.07 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.129 178.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.82 145.71 14.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.375 -177.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.38 129.01 50.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.264 0.554 . . . . 0.0 110.81 -175.629 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 173' ' ' MET . 20.8 tt -110.94 133.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.512 -177.337 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -103.0 118.19 36.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.342 -175.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.49 HG22 ' HB ' ' A' ' 31' ' ' THR . 52.7 mt -109.56 123.0 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.185 0.517 . . . . 0.0 111.698 -171.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.33 117.1 26.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.504 176.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -97.49 108.34 21.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.196 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 78' ' ' ILE . 11.4 p -66.66 135.16 53.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.339 -177.658 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 125.05 24.14 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.794 177.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.668 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.82 76.14 2.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.409 179.75 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.557 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -165.11 166.15 19.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.367 0.267 . . . . 0.0 110.346 178.657 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -90.93 -14.49 31.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.995 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' HB2' HD12 ' A' ' 72' ' ' LEU . 6.3 m-20 -59.69 -71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 111.401 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' H ' HD12 ' A' ' 72' ' ' LEU . 87.7 m-85 -85.59 64.81 8.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.655 -176.505 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.85 -18.39 62.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.357 176.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.831 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.05 -20.51 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 175.624 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.72 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 mt -92.51 -36.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -89.61 -65.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -177.407 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.61 -47.18 23.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.307 0.575 . . . . 0.0 111.55 -174.055 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.831 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.0 m-20 -77.25 -17.25 58.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.673 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.72 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -80.35 -17.12 52.89 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.91 177.063 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -70.65 72.81 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.493 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG3' ' OE1' ' B' ' 426' ' ' GLU . 16.1 mmm180 -148.69 -71.81 0.2 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.77 177.327 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.8 m -78.77 21.74 0.4 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.907 -176.419 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.39 144.6 15.87 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 176.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.669 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 43.8 mm-40 -88.56 -70.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 -177.155 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.9 150.3 16.88 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.662 -173.701 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -124.01 135.3 53.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 124' ' ' LEU . 62.3 mt -105.52 115.28 29.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -178.743 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.544 HD11 HG23 ' A' ' 125' ' ' VAL . 34.8 mt -89.42 106.5 18.49 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 176.78 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.916 HG12 ' HB ' ' A' ' 126' ' ' VAL . 15.7 m -116.9 137.73 49.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.056 0.455 . . . . 0.0 111.65 -176.005 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.491 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 48.9 p90 -156.18 159.14 38.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.729 178.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.719 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 46.4 t -86.76 144.06 27.24 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.271 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.46 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -72.25 7.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.452 -178.775 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 135' ' ' ARG . 17.4 p -98.26 -22.59 16.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.055 171.268 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.719 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 23.4 mm-40 -96.77 94.38 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.429 -174.756 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -79.0 -18.82 53.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.074 0.464 . . . . 0.0 109.993 -179.068 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -64.23 -52.22 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.445 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -24.5 64.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.0 t80 -64.45 -43.48 94.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.596 174.247 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -71.48 -28.15 63.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.372 0.606 . . . . 0.0 109.981 177.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.53 -13.89 61.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.203 -179.176 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.435 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 40.6 p -55.1 -35.52 64.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.812 0.339 . . . . 0.0 111.597 -179.031 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.89 -47.11 86.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.306 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -63.02 -41.1 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.448 ' O ' HG13 ' A' ' 111' ' ' ILE . 18.9 m-85 -57.01 -51.12 70.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' O ' HD11 ' A' ' 112' ' ' LEU . 4.1 ptm180 -68.11 -40.25 82.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.883 -177.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.61 -31.05 69.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 0.0 111.23 -177.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.1 -32.96 71.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.278 0.561 . . . . 0.0 109.669 177.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.7 mt -68.38 -46.76 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.455 175.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.438 HD11 ' O ' ' A' ' 108' ' ' ARG . 11.0 mp -64.12 -16.45 61.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 179.073 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.16 -41.82 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.855 0.36 . . . . 0.0 110.636 176.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.32 -23.39 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.939 0.4 . . . . 0.0 111.456 -176.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -124.33 105.97 9.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.203 178.775 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.33 11.52 1.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 178.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.25 24.6 4.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.596 0.712 . . . . 0.0 109.835 -176.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -175.63 3.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.135 -176.265 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.95 -75.82 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.239 0.543 . . . . 0.0 109.873 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.502 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 65.1 mmtt -151.37 131.42 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.744 178.278 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -92.48 107.77 26.29 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 123.287 0.367 . . . . 0.0 110.362 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 31.9 Cg_endo -92.32 126.56 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.271 2.647 . . . . 0.0 112.47 178.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.67 147.24 44.0 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 178.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.63 ' HB3' HD21 ' A' ' 90' ' ' LEU . 2.3 tp -135.04 119.13 17.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.072 0.463 . . . . 0.0 109.939 176.498 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.544 HG23 HD11 ' A' ' 91' ' ' LEU . 17.8 t -88.62 117.07 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.046 -178.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.916 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.0 t -115.28 123.69 71.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.947 -174.681 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.17 113.35 4.03 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 176.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.536 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.6 m120 -91.82 154.68 18.74 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.775 0.288 . . . . 0.0 110.81 -176.352 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER 64.73 36.15 8.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.547 174.12 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 42.3 p -68.92 11.08 0.22 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.99 0.424 . . . . 0.0 112.018 -176.434 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 129' ' ' LYS . 39.2 t70 -79.82 -12.69 59.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.705 0.764 . . . . 0.0 109.465 174.508 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.646 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 52.1 mt -83.03 52.15 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.94 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.96 -28.27 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.908 0.385 . . . . 0.0 111.144 -177.617 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.42 -6.54 46.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -178.815 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.646 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.5 mtp180 -121.52 2.07 10.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.491 -174.737 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.499 ' HD2' HG22 ' A' ' 140' ' ' VAL . 34.8 ttp180 -61.7 114.32 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 0.0 111.267 -176.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 71.8 mm-40 -101.09 -20.25 15.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.664 -179.433 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.5 t -90.94 110.16 40.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.658 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.0 Cg_exo -60.47 103.24 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 121.347 1.364 . . . . 0.0 109.76 174.412 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 HG22 ' HD2' ' A' ' 136' ' ' ARG . 2.3 t -56.83 -25.56 22.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.424 -172.698 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.18 -43.36 82.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.441 178.04 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 18.1 pt-20 -74.96 -26.14 59.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -70.06 -39.94 75.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.0 110.508 176.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.19 -32.13 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.319 177.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.1 t -75.78 -29.48 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.925 0.869 . . . . 0.0 108.792 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.538 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 13.8 tppt? -65.35 -50.51 65.3 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 114.365 -1.288 . . . . 0.0 110.056 175.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 152' ' ' VAL . . . -64.07 -39.8 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 176.828 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.53 -46.74 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.717 177.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.91 -35.21 79.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.755 -177.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.538 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 43.0 m0 -81.24 -19.8 42.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.282 -177.39 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.22 29.45 19.8 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.91 -178.736 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 147' ' ' ALA . 15.1 m -122.67 -179.41 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.607 0.242 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -104.51 147.1 27.98 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.079 179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -117.28 122.52 44.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 38.3 t -127.14 130.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.433 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.58 132.76 33.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.1 p -115.6 128.16 55.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.31 0.576 . . . . 0.0 111.694 -175.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.609 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 5.2 m -103.76 92.03 4.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.447 177.754 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.604 ' HB3' HN21 ' A' ' 500' ' ' GNP . . . -72.65 5.7 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.293 -174.785 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -87.76 -12.33 45.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.418 HG23 ' HB1' ' A' ' 163' ' ' ALA . 9.0 t -147.36 12.33 1.05 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.571 -179.355 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 60.0 27.38 16.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.745 -178.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.609 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -70.28 114.33 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.329 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 71.81 0.29 3.46 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.125 0.89 . . . . 0.0 111.869 179.225 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.77 -46.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.452 -178.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.59 -35.3 67.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.213 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -56.13 -50.03 72.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.129 -177.583 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.05 -27.57 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.113 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.7 -45.92 41.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.573 0.225 . . . . 0.0 110.589 176.724 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.546 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 49.3 m-85 -68.2 -45.09 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.207 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -50.65 69.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.992 178.486 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.05 -38.88 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.242 -178.426 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.653 ' HE1' HD11 ' A' ' 64' ' ' ILE . 15.7 ptp -67.67 -29.94 69.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.264 -179.153 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 28.3 mmt180 -63.41 -47.74 80.71 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 173.889 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -52.31 -42.67 63.99 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.503 175.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.9 mt -55.93 -37.25 47.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 179.692 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.674 ' HG3' ' HE1' ' A' ' 15' ' ' HIS . 45.3 mtp85 -71.96 -52.47 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 179.46 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.1 m -61.22 -35.06 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.025 -177.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -62.68 -50.11 72.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 176.223 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 73.3 mmtt -67.22 -25.21 65.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 0.0 111.011 -178.724 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 65.5 mtt -85.52 -2.87 58.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.7 m 62.17 21.65 12.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.597 0.561 . . . . 0.0 111.69 178.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.61 104.99 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.418 0.627 . . . . 0.0 110.369 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -105.73 26.17 9.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.995 178.756 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.981 -178.368 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.672 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 45.2 m -63.51 -36.58 84.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.709 0.254 . . . . 0.0 111.1 178.338 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 59.71 -93.47 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.576 0.547 . . . . 0.0 110.987 178.564 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.478 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.0 m -83.57 -26.91 29.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 0.0 109.639 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.672 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 70.1 mt-30 -64.94 -25.7 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.266 176.369 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.66 68.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.756 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.11 94.12 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.71 176.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.572 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -61.74 -48.15 90.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.48 0.181 . . . . 0.0 110.677 178.113 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -57.39 -43.73 83.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.085 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.75 -36.35 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.144 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 24.9 mm-40 -80.03 -34.1 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' B' ' 443' ' ' LEU . 87.1 mt -57.74 -52.4 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 174.406 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -66.89 -29.09 68.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.64 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 58.7 ttp85 -62.99 -47.78 81.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.3 mm-40 -69.43 -37.77 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.251 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.468 ' HG2' HD23 ' B' ' 436' ' ' LEU . 40.8 mt-10 -61.35 -42.12 98.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.385 176.238 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.1 -47.76 78.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.788 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 69.7 mt -59.49 -50.86 72.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.561 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.493 HD12 ' OH ' ' A' ' 82' ' ' TYR . 56.2 tp -64.41 -34.53 78.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.616 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.422 ' HA ' ' HB2' ' B' ' 413' ' ' HIS . 64.6 t30 -67.7 -33.96 75.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.654 178.047 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 47.4 t -59.08 -53.7 55.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.765 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.438 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -60.44 -33.44 72.55 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.225 0.536 . . . . 0.0 110.683 175.456 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 18.2 m170 -69.22 -32.78 72.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.923 -177.878 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -77.39 -53.23 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.11 -41.28 92.25 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.682 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 81' ' ' ASN . 9.3 mp -66.46 -25.51 66.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.517 -174.508 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 76.9 mt-30 -58.82 -21.6 56.76 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.672 0.273 . . . . 0.0 111.614 -178.838 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.38 -7.19 88.65 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 92.63 40.77 4.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.19 -178.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.1 mt -114.04 121.9 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -179.01 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -120.57 144.07 48.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.654 0.74 . . . . 0.0 111.522 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.658 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.5 t70 -148.78 152.64 36.89 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.275 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.407 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -62.26 -26.55 68.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.82 0.736 . . . . 0.0 110.091 176.401 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 9.9 m -66.44 -36.12 82.0 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.518 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.729 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.39 -37.21 71.57 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.473 -174.033 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.729 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.7 pt-20 -73.57 -38.51 65.17 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.311 -177.198 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 49.6 mt-10 -61.17 -51.2 70.05 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.631 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.525 ' O ' HG13 ' B' ' 432' ' ' VAL . 11.6 mmt180 -65.06 -42.53 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.637 -179.109 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 7.1 mt -54.85 -57.32 12.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 123.378 0.424 . . . . 0.0 111.85 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.662 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 71.9 m95 -64.92 -45.05 87.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -175.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.43 ' O ' HG13 ' B' ' 435' ' ' ILE . 7.5 mm-40 -60.54 -53.97 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -177.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.618 ' HA ' HD11 ' B' ' 435' ' ' ILE . 13.8 p -63.63 -34.2 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.008 0.432 . . . . 0.0 110.396 -179.69 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.457 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.31 -46.6 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.602 174.314 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.662 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 13.9 mtt180 -70.73 -33.4 70.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.128 178.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' B' ' 432' ' ' VAL . 53.9 mt -65.87 -43.46 93.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.034 176.637 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 35.0 tp -58.22 -45.57 87.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 174.876 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.537 HG23 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.386 -177.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.87 -41.92 91.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 172.451 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.609 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.9 mm? -61.63 -40.35 94.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.322 176.184 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 73.1 mmtt -60.22 -41.61 93.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 176.87 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.06 -43.33 92.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.246 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.5 -35.59 72.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 178.186 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' B' ' 402' ' ' ILE . 62.7 tp -65.74 -40.06 91.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.484 177.489 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -82.34 -6.22 59.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.88 -36.19 11.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 -177.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.582 -179.672 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.604 HN21 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -96.34 83.54 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -99.85 -62.15 1.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.679 -176.044 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -131.93 26.66 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 110.375 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.3 mt -72.13 -15.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.53 -175.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.442 ' HA ' HG23 ' A' ' 62' ' ' VAL . . . -95.51 0.42 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 111.468 -179.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.03 109.87 15.56 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.302 0.572 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.517 ' HD1' ' HB3' ' A' ' 173' ' ' MET . 33.2 m170 -118.38 122.05 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.045 -176.278 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.814 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 29.6 mmtp -115.2 113.27 23.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 179.265 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -116.28 100.49 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.646 0.736 . . . . 0.0 110.004 175.244 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.68 126.43 42.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 -175.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.442 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 29.9 mtt -83.95 115.88 22.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.68 177.28 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.82 138.31 21.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.038 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.84 -174.02 33.19 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -178.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 28.6 m -119.72 -80.6 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.108 0.454 . . . . 0.0 111.494 -178.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.95 -37.12 0.45 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.163 -175.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 -132.35 7.71 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 -177.57 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t 62.71 -56.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.073 0.949 . . . . 0.0 111.556 -172.068 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -56.12 0.69 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -175.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.807 ' HZ2' ' HB ' ' A' ' 92' ' ' VAL . 29.6 mmmt 69.46 -52.66 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.192 1.397 . . . . 0.0 111.784 173.494 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.523 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 9.1 m -82.45 -19.51 38.78 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.931 -170.575 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.56 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.57 -36.37 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.033 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD11 ' ND2' ' A' ' 128' ' ' ASN . 5.6 mp -74.6 -46.42 38.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -177.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.594 HG23 HG23 ' A' ' 66' ' ' ILE . 26.6 p -70.91 -29.83 66.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -176.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.16 -38.71 84.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 175.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.856 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -64.86 -33.61 76.42 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -179.423 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -72.65 -22.98 60.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -176.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.505 ' HE3' ' CE2' ' A' ' 36' ' ' TYR . 48.3 ttp -105.05 -46.2 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.92 -177.066 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.533 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 60.6 m-85 -101.11 -35.55 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.259 -178.419 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 72.6 25.39 2.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.007 0.817 . . . . 0.0 110.534 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.533 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 11.9 pt-20 -121.7 151.9 39.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.231 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.856 ' HA ' HE22 ' A' ' 33' ' ' GLN . 27.5 t80 -75.54 145.94 40.89 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.225 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.82 116.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.477 0.655 . . . . 0.0 112.155 -173.693 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.9 -42.44 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.537 173.113 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -158.43 131.01 7.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.268 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -162.54 101.74 1.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.161 178.78 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.04 -52.25 0.86 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.548 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.05 114.24 1.06 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 178.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 t -163.16 -13.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.416 -174.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -85.57 -56.34 3.55 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 21.91 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.941 -178.604 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.63 97.19 6.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -173.496 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.0 p -91.38 162.88 14.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.482 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.01 134.46 36.63 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 -179.578 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 12.7 ptm180 -112.88 118.97 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.206 -176.16 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -107.57 142.85 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.388 179.857 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -97.02 116.31 28.99 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.129 176.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.89 146.19 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.625 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.21 133.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.112 0.482 . . . . 0.0 110.986 176.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.39 97.48 5.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 51.3 81.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.223 0.952 . . . . 0.0 111.521 -175.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.87 -129.54 1.89 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.645 179.183 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 62' ' ' VAL . 8.8 pt-20 -113.33 156.2 23.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -174.766 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 44.9 mt-10 -58.73 109.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.721 179.221 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 60' ' ' GLU . 90.8 t -106.77 139.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.188 -179.12 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.16 124.31 52.25 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.77 178.566 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.576 HD11 ' SD ' ' A' ' 173' ' ' MET . 12.9 tt -104.73 112.19 37.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.198 179.634 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.814 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 3.4 t70 -106.97 114.38 28.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.452 -177.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.594 HG23 HG23 ' A' ' 31' ' ' THR . 76.7 mt -108.02 121.06 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.804 -170.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.0 105.22 17.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.306 172.263 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.523 ' CG ' ' HG ' ' A' ' 28' ' ' SER . 33.7 t70 -72.74 100.28 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.574 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -88.47 133.36 34.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -166.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.97 117.53 20.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.163 176.434 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -79.87 54.65 4.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.312 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -106.26 173.43 6.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -177.819 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.49 7.35 32.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.676 0.751 . . . . 0.0 109.001 175.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.488 ' HB2' HD23 ' A' ' 72' ' ' LEU . 4.8 m-20 -82.8 -83.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.892 -178.894 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.632 ' HA ' ' HG3' ' B' ' 417' ' ' GLN . 81.4 m-85 -80.03 81.94 6.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.315 -177.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.46 -20.44 66.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.194 0.521 . . . . 0.0 111.249 178.086 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -68.82 -23.1 64.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.313 179.682 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.656 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.7 mt -88.83 -39.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.91 0.386 . . . . 0.0 110.803 -176.775 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -91.6 -64.65 1.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.083 -177.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.22 -56.84 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.607 -171.874 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.647 HD21 ' HA ' ' A' ' 77' ' ' ALA . 88.9 m-20 -69.05 -40.47 78.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.414 -171.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.656 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 2.5 m-85 -64.19 -27.83 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.29 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.619 ' HB2' HG21 ' A' ' 114' ' ' VAL . 14.4 m-30 -62.66 -27.57 69.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.13 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.542 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 64.7 ttt180 -60.14 -55.7 30.68 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -172.674 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.615 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 18.6 m -82.41 15.7 2.38 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 111.539 178.157 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.21 153.07 23.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 176.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -98.8 -76.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.817 0.309 . . . . 0.0 110.602 -176.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.668 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.91 155.76 16.28 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.102 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -130.65 129.61 42.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.341 0.591 . . . . 0.0 111.236 -176.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.71 107.1 19.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.092 179.485 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD11 HD23 ' A' ' 123' ' ' LEU . 74.4 mt -81.87 105.3 12.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.802 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.807 ' HB ' ' HZ2' ' A' ' 27' ' ' LYS . 47.9 t -120.86 113.32 39.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.467 -173.09 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 35.4 p90 -127.89 155.54 44.0 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.041 0.838 . . . . 0.0 109.191 179.179 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 23.1 t -84.64 139.97 31.68 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.821 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.527 ' O ' HG13 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -71.57 1.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.004 0.43 . . . . 0.0 111.316 -177.725 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 14.8 p -107.49 10.25 29.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.361 0.6 . . . . 0.0 110.234 172.874 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 71.5 mt-10 -122.86 93.62 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.829 176.07 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -69.89 -28.33 65.54 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.934 178.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.91 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.221 0.534 . . . . 0.0 110.191 176.47 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 14.9 m -62.75 -31.41 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.604 178.698 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 46.5 t80 -65.36 -51.75 58.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.128 177.819 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 m -65.81 -28.88 69.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 110.763 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.63 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.34 -178.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.433 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 43.2 p -58.93 -36.67 75.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.757 0.313 . . . . 0.0 111.328 -178.855 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.32 94.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.661 177.317 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 -42.17 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.794 179.484 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.543 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.13 -49.46 75.86 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -53.24 -55.57 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.913 178.736 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.22 -33.04 74.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.116 -175.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.99 -32.53 73.82 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 121' ' ' ILE . 92.9 mt -66.34 -45.33 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.66 176.179 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.48 -10.57 59.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 111.116 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -78.06 -34.1 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.96 0.41 . . . . 0.0 110.407 177.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -101.51 -18.82 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.567 -178.222 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 45.5 mtpt -111.47 -126.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 177.744 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.05 1.15 2.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.363 0.665 . . . . 0.0 112.24 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -107.4 -0.42 22.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.272 0.558 . . . . 0.0 110.001 177.527 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -107.54 -165.21 1.04 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.18 -176.715 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.536 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -70.83 -82.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.197 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.1 mptt -141.67 133.48 27.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -177.159 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.573 HD12 HG23 ' A' ' 111' ' ' ILE . 85.0 mt -96.28 107.96 38.69 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.346 176.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.668 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.7 Cg_endo -84.01 127.27 4.05 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.217 2.611 . . . . 0.0 111.801 177.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 91' ' ' LEU . 6.4 mp -116.15 133.63 55.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -128.02 118.9 24.35 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 173.613 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.53 122.15 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.703 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.564 ' HB ' HG21 ' A' ' 92' ' ' VAL . 61.1 t -112.13 121.79 65.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.018 -176.058 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.9 96.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 175.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.48 ' ND2' HD11 ' A' ' 30' ' ' LEU . 18.6 t-20 -82.94 148.89 27.37 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.689 ' HG3' ' HG ' ' A' ' 132' ' ' LEU . 19.4 tptm 73.06 26.79 2.13 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.997 0.811 . . . . 0.0 110.414 174.304 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.424 ' HB2' ' HB3' ' A' ' 156' ' ' GLU . 33.1 t -64.18 -10.14 21.24 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.896 -178.446 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.601 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 1.5 p30 -74.07 -2.57 24.96 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.458 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.689 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 95.5 mt -73.43 -55.17 6.72 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 171.044 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 64.49 -72.73 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.986 0.804 . . . . 0.0 112.147 177.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.871 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.9 pt-20 -62.11 -30.2 70.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.041 0.448 . . . . 0.0 111.885 -174.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.871 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 71.1 mtt180 -107.0 14.68 26.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -173.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -59.27 117.28 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.061 0.458 . . . . 0.0 110.436 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.509 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 34.2 tt0 -78.9 -37.26 40.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.992 -175.045 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 95' ' ' ILE . 7.0 p -108.0 117.73 54.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.637 -177.176 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 124.5 15.69 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.053 1.835 . . . . 0.0 110.572 174.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.611 HG13 ' HG3' ' A' ' 144' ' ' ARG . 11.2 t -55.59 -22.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.286 -176.726 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.51 -46.3 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.496 -174.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.85 -21.69 60.02 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.836 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -78.28 -41.84 32.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 110.75 178.174 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.611 ' HG3' HG13 ' A' ' 140' ' ' VAL . 56.6 mtp180 -62.71 -38.71 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.4 t -58.03 -50.49 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.703 178.446 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 66.1 mmtt -63.27 -36.38 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.314 -176.063 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.21 87.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.399 175.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.31 -37.61 71.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.04 -34.2 75.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.116 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -88.95 -20.42 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.828 -179.267 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.36 29.4 19.62 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.945 -178.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.3 -175.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.769 0.319 . . . . 0.0 110.794 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.705 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -111.84 159.43 18.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.871 176.737 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 140' ' ' VAL . 88.4 t80 -133.7 114.98 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.5 127.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.879 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 27.9 mt-10 -87.55 145.77 26.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.979 0.418 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.5 p -119.8 134.38 55.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.393 -176.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.601 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.2 m -118.9 94.34 4.41 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.324 175.081 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.429 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -70.23 -19.42 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.66 -174.378 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.89 -27.54 65.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.147 0.499 . . . . 0.0 110.307 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.0 p -114.81 5.51 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 57.28 28.95 15.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.24 -176.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -84.48 119.53 25.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.632 -177.139 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 69.24 7.02 5.99 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.445 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.17 -51.22 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 110.676 -178.585 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -77.04 -24.78 52.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.826 178.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -59.56 -51.8 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.37 -174.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.87 -26.74 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.152 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.49 -55.4 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.86 177.249 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.4 m-85 -64.07 -39.92 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.192 -176.218 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.5 -52.31 64.09 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.32 0.387 . . . . 0.0 111.778 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.568 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.2 tp -72.01 -38.3 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.492 . . . . 0.0 110.251 -178.565 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.576 ' SD ' HD11 ' A' ' 64' ' ' ILE . 38.9 mtp -62.57 -29.96 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.442 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 34.4 mmt180 -63.64 -56.31 16.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.371 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.34 -37.04 69.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.118 -175.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 172' ' ' LEU . 77.7 mt -55.83 -32.6 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.772 -176.709 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -59.98 -39.58 86.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.432 -176.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.9 m -66.11 -30.35 70.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.854 -178.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 176' ' ' ILE . 3.0 mptp? -69.08 -42.7 75.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.45 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -69.73 -35.46 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.801 -177.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.1 mtt -70.93 -36.96 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 176.675 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.0 m 64.61 -70.74 0.08 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.104 0.877 . . . . 0.0 111.181 -178.317 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.7 98.74 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.318 0.58 . . . . 0.0 109.937 178.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -92.99 -1.08 57.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.038 178.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.006 179.205 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.3 p -59.78 -30.95 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.879 -175.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.33 -46.98 87.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 110.586 178.471 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.443 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.8 m -81.33 -36.81 29.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -56.75 -35.28 68.45 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.518 0.199 . . . . 0.0 111.096 178.807 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.58 -47.72 81.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 175.226 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.8 73.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.994 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.524 ' O ' HG13 ' B' ' 402' ' ' ILE . 21.7 mm -57.53 -46.65 86.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.408 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 98.1 mttt -61.34 -39.23 89.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.46 -179.674 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.7 mt-10 -59.92 -42.66 94.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.282 0.563 . . . . 0.0 109.894 176.568 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.573 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 7.6 tp10 -68.59 -39.15 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.216 178.594 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.524 HG13 ' O ' ' B' ' 398' ' ' ILE . 86.7 mt -56.69 -51.37 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.319 178.285 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.537 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 30.2 mmm180 -60.53 -33.3 72.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.253 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.573 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 46.1 ttt180 -65.57 -51.82 56.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.368 177.049 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.436 ' HB2' HD21 ' B' ' 436' ' ' LEU . 13.1 mm100 -70.39 -28.01 64.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -177.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.537 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -60.13 -51.37 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.027 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -67.93 -38.48 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 -179.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 36.4 mt -64.37 -50.81 66.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.822 -179.627 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.625 HD12 HG13 ' B' ' 432' ' ' VAL . 48.9 tp -64.6 -34.53 78.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 110.218 177.108 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.1 -41.34 92.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 176.378 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.5 t -59.78 -54.44 46.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.1 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.489 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.5 mm? -58.37 -33.49 69.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 111.473 178.604 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.4 m-70 -67.52 -35.42 79.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.002 177.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -79.04 -51.8 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 176.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -59.21 -54.55 45.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -173.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.799 HD23 HG13 ' B' ' 420' ' ' ILE . 26.8 mt -68.81 -25.45 64.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.016 0.436 . . . . 0.0 111.119 -177.452 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.632 ' HG3' ' HA ' ' A' ' 75' ' ' TYR . 6.3 tt0 -61.43 -34.73 75.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.013 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.48 5.85 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.273 179.169 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 174.25 122.14 0.66 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.494 -179.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.799 HG13 HD23 ' B' ' 416' ' ' LEU . 1.2 mp -68.06 128.38 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 123.048 0.539 . . . . 0.0 110.889 179.293 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.39 -23.24 15.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.297 0.57 . . . . 0.0 111.161 178.479 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 7.8 m-20 -147.64 141.56 25.85 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.613 -175.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.507 ' HA ' ' OE2' ' B' ' 426' ' ' GLU . 2.5 pt? -60.23 -27.87 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 110.602 171.917 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.423 ' HA ' ' OE1' ' B' ' 427' ' ' GLU . 46.2 m -61.93 -31.36 71.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.08 178.464 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 71.9 mmtt -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 109.79 179.475 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.507 ' OE2' ' HA ' ' B' ' 423' ' ' LEU . 26.6 mt-10 -63.95 -45.25 90.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.791 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' B' ' 424' ' ' SER . 33.6 mt-10 -60.51 -46.18 91.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.975 176.296 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.548 ' O ' HG11 ' B' ' 432' ' ' VAL . 1.0 OUTLIER -64.06 -33.51 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.269 178.758 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.489 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.4 OUTLIER -55.11 -51.38 66.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.979 0.419 . . . . 0.0 110.088 178.184 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.786 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 21.2 m95 -66.7 -49.23 66.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.157 177.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' B' ' 434' ' ' ARG . 6.9 tp10 -59.02 -53.2 61.1 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.614 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.625 HG13 HD12 ' B' ' 409' ' ' LEU . 10.4 p -62.14 -34.48 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 0.0 110.258 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.545 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.6 tp60 -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 173.741 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.786 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 1.5 mpp_? -58.72 -39.82 81.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.864 178.013 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' B' ' 432' ' ' VAL . 41.1 mt -65.81 -46.53 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.016 179.167 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.7 -43.81 85.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.681 0.276 . . . . 0.0 110.958 179.358 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.2 t -74.86 -39.2 61.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.226 -175.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.401 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . . . -66.3 -34.94 79.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.395 0.617 . . . . 0.0 109.846 176.47 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' B' ' 402' ' ' ILE . 34.1 tp -65.82 -38.42 88.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.778 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -57.4 -42.79 82.91 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 110.028 173.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -45.73 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.994 177.133 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.528 ' HE3' ' OE2' ' B' ' 445' ' ' GLU . 13.4 mmmm -61.27 -32.17 71.99 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.408 179.378 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.443 ' CA ' HG22 ' B' ' 398' ' ' ILE . 3.4 tm? -59.61 -51.28 70.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.125 0.488 . . . . 0.0 110.017 176.465 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.31 -1.41 49.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.275 -178.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.528 ' OE2' ' HE3' ' B' ' 442' ' ' LYS . 24.7 tt0 -98.21 -32.64 11.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.066 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.508 -177.658 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.429 ' C6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.273 -0.331 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 14.8 mt-30 -109.28 124.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 m -81.39 -17.81 47.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 -179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 p -78.87 9.03 4.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 111.363 -179.198 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 97.3 mt -90.02 -26.08 20.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.317 177.64 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.68 8.91 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.313 0.578 . . . . 0.0 111.529 -175.567 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HG ' ' HE2' ' A' ' 16' ' ' LYS . 52.2 tp -131.59 102.0 5.73 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 178.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -100.21 142.74 31.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.175 0.512 . . . . 0.0 111.017 -175.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HE2' ' HG ' ' A' ' 14' ' ' LEU . 65.1 mmtt -119.78 112.13 18.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.242 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.86 114.78 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.175 0.512 . . . . 0.0 110.227 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 89' ' ' PHE . 58.2 mt -99.12 111.0 27.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.515 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.882 ' HG3' ' HD2' ' A' ' 27' ' ' LYS . 56.4 tpp -82.5 104.09 12.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 -177.031 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -107.52 176.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -175.222 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.22 -179.43 33.0 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.226 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 p -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.447 0.641 . . . . 0.0 110.534 178.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.737 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -144.23 -87.39 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 174.22 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.3 42.65 0.18 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.744 175.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.5 t -40.76 -65.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 124.537 0.786 . . . . 0.0 112.212 -173.878 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 11.61 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.326 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.057 ' HB3' HG22 ' A' ' 92' ' ' VAL . 53.2 pttt -71.58 -39.15 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.274 -174.687 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' HD23 ' A' ' 32' ' ' LEU . 16.5 m -72.01 -23.64 61.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.19 0.519 . . . . 0.0 110.219 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.86 -41.31 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.589 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.475 ' O ' ' HG3' ' A' ' 35' ' ' MET . 19.9 p -60.93 -43.73 98.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.73 -176.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 28' ' ' SER . 4.1 mm? -59.11 -28.71 66.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.771 HE22 ' HA ' ' A' ' 39' ' ' PHE . 52.3 mm-40 -66.97 -44.89 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.397 0.617 . . . . 0.0 109.721 178.093 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -73.28 -36.36 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 31' ' ' THR . 92.3 mtp -69.0 -53.09 22.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.161 -177.755 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 77.2 m-85 -103.02 -83.9 0.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.454 177.518 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 15.6 t70 172.31 -36.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.879 0.737 . . . . 0.0 110.008 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -96.62 165.63 12.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 0.0 111.93 -171.117 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.771 ' HA ' HE22 ' A' ' 33' ' ' GLN . 73.9 t80 -76.23 127.19 32.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.773 -176.401 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 43' ' ' TYR . 7.7 p -77.08 133.62 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.386 -178.872 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -119.48 -36.52 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.175 177.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -132.48 94.93 3.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.208 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' HB3' HG23 ' A' ' 40' ' ' VAL . 60.3 t80 -170.61 100.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.181 174.713 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.623 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.5 mm-40 -110.38 -41.99 0.11 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.147 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.0 Cg_endo -64.47 84.49 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.56 1.507 . . . . 0.0 113.15 178.459 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.697 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 2.7 p -105.84 17.53 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 176.055 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HD2' ' CE2' ' A' ' 75' ' ' TYR . 31.8 mtmt -64.97 -57.84 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.979 -170.084 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 21.35 7.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.279 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.15 124.89 46.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.247 -174.593 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 t -131.84 145.92 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.757 178.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -122.77 130.48 52.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -74.94 104.68 5.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.445 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 35' ' ' MET . 50.3 tptt -104.78 126.14 51.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -103.58 129.31 50.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.958 172.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 m -133.24 144.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.032 174.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -120.13 132.44 69.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.151 0.501 . . . . 0.0 109.656 176.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.647 ' HB3' HH21 ' A' ' 174' ' ' ARG . 2.6 tt -129.62 109.24 10.84 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.21 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.81 -16.87 0.17 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.532 1.133 . . . . 0.0 113.343 174.219 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.22 -71.77 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 119.019 -1.562 . . . . 0.0 115.204 -178.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.1 pt-20 -89.36 141.48 28.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 117.462 0.631 . . . . 0.0 112.074 -168.654 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.18 109.45 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.865 174.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.1 t -106.92 154.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -171.033 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.75 150.87 32.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.256 178.327 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 HD13 ' SD ' ' A' ' 173' ' ' MET . 12.7 tt -149.25 131.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.113 -177.234 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.444 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 1.6 m-20 -99.69 143.65 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.172 175.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.92 113.56 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 -178.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.22 104.36 12.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.199 178.158 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.697 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 20.0 t70 -88.13 96.01 10.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.472 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 p -62.83 135.35 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -175.386 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.96 125.39 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 176.515 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.737 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -87.8 58.39 4.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.314 -178.853 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.09 172.19 15.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -80.49 -32.25 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -170.717 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.85 -64.09 0.93 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.263 0.554 . . . . 0.0 111.668 -176.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.687 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 42.6 m-85 -79.95 57.65 2.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -174.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . . . -59.42 -33.62 71.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.385 175.435 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.595 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -57.87 -41.92 83.47 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.948 178.242 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.607 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 46.0 mt -73.88 -17.29 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.818 -176.428 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 76' ' ' ALA . 85.0 mtm180 -91.96 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.791 177.463 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.63 -55.11 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.216 0.531 . . . . 0.0 111.91 -175.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.629 HD21 ' HB3' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -68.56 -23.42 64.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.847 -168.241 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 11.4 m-85 -89.98 -13.16 36.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.081 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB2' HG23 ' A' ' 114' ' ' VAL . 12.3 m-30 -77.52 80.21 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.29 0.566 . . . . 0.0 111.046 -178.749 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' NH2' ' HG ' ' B' ' 423' ' ' LEU . 1.4 mmt85 -135.12 -80.85 0.43 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 m -80.52 32.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 111.118 -177.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 84' ' ' ARG . . . -100.98 126.34 8.89 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.746 179.143 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' OE2' ' HD3' ' A' ' 180' ' ' LYS . 6.1 mm-40 -98.6 -63.81 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 179.353 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.43 119.26 5.32 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.735 -174.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HB2' HD23 ' A' ' 123' ' ' LEU . 97.1 m-85 -115.34 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.908 0.385 . . . . 0.0 110.013 177.525 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.3 mt -89.79 118.95 29.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.183 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.82 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 1.057 HG22 ' HB3' ' A' ' 27' ' ' LYS . 34.9 m -108.22 143.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.269 0.557 . . . . 0.0 111.886 -175.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.66 152.42 28.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.544 -0.909 . . . . 0.0 108.544 174.17 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.61 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 p -92.6 148.98 21.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.194 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.505 HG12 ' HA ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.23 8.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.311 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.533 HG21 ' O ' ' A' ' 135' ' ' ARG . 34.2 p -108.32 -31.42 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 174.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.61 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 24.9 mm-40 -92.78 91.98 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.191 -178.004 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -69.91 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 -178.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.24 -37.21 86.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.119 0.485 . . . . 0.0 110.62 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.47 -29.46 70.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.201 175.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -74.13 -31.49 62.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.567 178.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -64.5 -39.52 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.568 177.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.09 -15.19 61.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.593 -173.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.66 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.7 p -58.71 -30.52 67.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 111.522 -177.377 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.72 74.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 178.849 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -69.8 -30.89 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -178.714 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.66 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 23.0 m-85 -57.3 -43.34 83.14 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.55 -54.17 50.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.084 0.469 . . . . 0.0 110.323 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.29 -33.57 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.283 -178.758 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -71.43 -33.74 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.378 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.7 mt -71.54 -45.07 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -68.57 -20.45 64.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 178.417 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -59.99 -33.74 72.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.529 177.479 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.573 HG23 ' HB2' ' A' ' 83' ' ' PHE . 19.1 m -112.65 -20.15 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.522 -177.785 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.476 ' HG2' HG21 ' A' ' 114' ' ' VAL . 14.0 mmmt -106.33 -98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 -178.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.7 -56.88 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.899 0.88 . . . . 0.0 113.311 178.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -83.34 53.92 2.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.005 0.431 . . . . 0.0 111.481 -173.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.2 -169.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.822 -177.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -68.41 0.4 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 171.921 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -154.87 155.66 34.76 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.451 HD12 HG22 ' A' ' 111' ' ' ILE . 61.8 mt -105.49 95.09 9.38 Favored Pre-proline 0 C--N 1.313 -0.984 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.498 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.627 ' HB2' HD11 ' A' ' 172' ' ' LEU . 61.4 Cg_endo -71.99 106.55 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.007 2.471 . . . . 0.0 111.848 -176.191 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.476 HD23 ' HB2' ' A' ' 89' ' ' PHE . 94.4 mt -102.23 155.11 18.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.409 -178.89 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.64 HD11 ' HG3' ' A' ' 153' ' ' GLN . 4.0 tp -150.32 118.35 6.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.711 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.7 t -84.11 115.61 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.978 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.841 ' HB ' HG13 ' A' ' 92' ' ' VAL . 46.8 t -103.69 109.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.609 -175.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.73 99.05 2.16 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.43 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 7.5 p30 -100.33 163.71 12.26 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.742 -0.269 . . . . 0.0 110.837 -176.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.606 ' HE2' HD22 ' A' ' 132' ' ' LEU . 19.1 tptm 69.47 17.29 8.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.689 178.605 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 p -63.44 -8.7 9.82 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.195 0.522 . . . . 0.0 111.658 -177.07 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.63 -13.46 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.623 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.704 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.8 mt -67.17 -41.69 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.715 -177.655 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 61.29 -76.87 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.396 0.679 . . . . 0.0 112.467 176.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.35 -24.67 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 111.375 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.704 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 69.3 mtt180 -86.63 -1.69 57.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.505 ' HA ' HG12 ' A' ' 95' ' ' ILE . 37.3 ttp180 -58.14 113.67 2.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 111.112 -178.229 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -93.23 -28.75 16.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.9 116.69 53.47 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.313 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.14 128.61 26.99 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.163 1.909 . . . . 0.0 111.434 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -54.68 -22.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.161 178.09 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.58 -53.88 52.47 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.483 179.255 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.73 -23.68 61.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.93 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 178.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.4 mtp180 -68.12 -33.26 74.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.087 177.614 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.427 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.5 t -55.65 -54.58 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.622 178.151 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 29.3 mmtp -60.27 -37.54 80.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.771 -177.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.19 89.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.989 0.423 . . . . 0.0 110.513 175.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -69.59 -37.47 76.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 178.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 145' ' ' SER . 48.1 mt-10 -65.14 -33.77 76.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -90.45 -29.5 17.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.065 -178.255 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 38.03 3.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.277 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.95 175.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.64 ' HG3' HD11 ' A' ' 124' ' ' LEU . 11.3 pt20 -96.98 161.97 13.6 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.831 175.366 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' HE2' HG22 ' A' ' 140' ' ' VAL . 84.3 t80 -130.71 121.31 25.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.645 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.09 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 -177.358 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.46 126.93 34.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.038 176.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.7 p -117.02 130.86 56.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.129 0.49 . . . . 0.0 111.166 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.1 m -123.75 104.15 8.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.199 179.039 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.1 -12.63 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.978 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -72.89 -31.28 64.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.108 179.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 p -113.35 3.3 15.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.258 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 62.82 27.89 16.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -94.64 127.57 40.69 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.11 -173.549 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 68.38 9.01 7.0 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.306 173.845 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.03 -49.32 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.041 0.448 . . . . 0.0 110.846 -177.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.3 -22.95 51.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.228 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.21 -48.91 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.837 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.34 -26.9 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.296 . . . . 0.0 111.725 -177.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -75.71 -55.76 5.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.306 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 57' ' ' LEU . 38.4 m-85 -62.47 -40.69 97.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.9 -174.442 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -56.01 -52.44 64.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.905 0.383 . . . . 0.0 110.806 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.627 HD11 ' HB2' ' A' ' 122' ' ' PRO . 28.3 tp -71.75 -41.24 68.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.153 -175.694 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 64' ' ' ILE . 43.0 mtp -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.395 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.647 HH21 ' HB3' ' A' ' 57' ' ' LEU . 13.9 mmt85 -75.68 -39.59 57.27 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.534 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.658 0.266 . . . . 0.0 110.658 178.049 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.651 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.2 mt -55.87 -45.38 79.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.715 178.035 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 181' ' ' MET . 55.7 mtm180 -57.69 -49.75 75.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.219 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -62.87 -35.29 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.192 -178.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.84 -32.29 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.662 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 31.4 mmmt -69.35 -41.39 76.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.159 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 59.4 mtt -69.36 -34.29 74.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.854 178.709 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 66.2 m 67.85 -84.28 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.301 176.556 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -160.66 131.84 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.867 0.365 . . . . 0.0 110.105 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -108.73 24.62 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.151 0.5 . . . . 0.0 111.064 -175.155 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.46 179.452 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 11.8 p -67.88 -19.65 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -176.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.68 -42.4 83.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.988 0.423 . . . . 0.0 110.978 176.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.444 ' O ' HG12 ' B' ' 398' ' ' ILE . 21.2 m -80.91 -31.13 35.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.527 -179.227 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 85.1 mt-30 -59.95 -27.55 66.89 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -178.612 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.22 -56.12 21.41 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.291 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.59 90.65 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.905 178.127 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.535 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -59.49 -53.95 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.416 0.15 . . . . 0.0 111.122 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.39 -45.62 87.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.376 -177.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.18 -39.4 90.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.691 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 27.3 tt0 -71.41 -41.84 69.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.046 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.5 mt -53.43 -52.47 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 O-C-N 123.037 0.211 . . . . 0.0 110.541 176.127 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -58.66 -36.33 73.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.051 -177.695 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 62.5 ttp180 -67.51 -48.68 66.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.466 177.219 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.691 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 15.4 mm100 -67.39 -35.98 80.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.441 -175.409 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.5 ' HG2' HD23 ' B' ' 436' ' ' LEU . 42.7 mt-10 -61.27 -47.69 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.185 175.885 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -64.38 -41.9 96.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.028 -179.35 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.7 mt -61.19 -51.94 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.634 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.627 HD23 HG11 ' B' ' 432' ' ' VAL . 3.3 tm? -66.34 -35.27 79.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.828 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.608 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 60.5 t30 -66.72 -54.49 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 178.775 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 40.3 t -59.15 -45.99 89.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.524 -177.406 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.613 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 20.6 mt -52.41 -51.04 61.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.136 178.538 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.495 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 4.6 p80 -70.09 -30.5 67.73 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.52 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 19.7 mtm180 -71.56 -52.88 15.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.482 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.47 -46.56 89.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.906 -175.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.629 ' HB3' HD21 ' A' ' 81' ' ' ASN . 66.2 mt -63.31 -25.93 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.238 -173.805 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 64.7 mt-30 -59.99 -21.76 61.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.49 0.186 . . . . 0.0 111.307 179.392 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -7.5 44.75 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.204 -0.522 . . . . 0.0 113.014 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.33 9.66 31.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.875 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 56.8 mt -108.35 124.64 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.29 149.91 37.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.495 0.664 . . . . 0.0 110.967 175.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.555 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.6 t70 -148.75 161.0 42.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.498 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.537 ' HG ' ' NH2' ' A' ' 84' ' ' ARG . 9.2 mp -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.752 0.31 . . . . 0.0 111.065 -177.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 t -64.13 -37.42 87.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.555 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 33.6 mmtt -69.08 -49.69 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.617 -177.864 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 28.2 mt-10 -59.56 -46.8 87.86 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.329 -175.475 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.86 -35.29 69.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.1 -176.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.632 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.2 mmt180 -65.92 -37.37 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.313 174.781 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.616 HD12 HD12 ' B' ' 416' ' ' LEU . 21.2 mt -55.37 -57.37 12.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.249 0.343 . . . . 0.0 111.269 -179.046 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -64.55 -35.99 82.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.022 179.136 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.611 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 37.4 tt0 -65.07 -55.41 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.677 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 428' ' ' ARG . 9.0 p -64.77 -31.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.335 . . . . 0.0 110.459 -179.252 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -54.91 -50.76 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.611 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.0 mtp-105 -61.41 -38.72 88.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.653 0.739 . . . . 0.0 109.799 178.614 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD13 ' HA ' ' B' ' 432' ' ' VAL . 63.4 mt -66.1 -47.29 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.832 -177.599 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.5 HD23 ' HG2' ' B' ' 406' ' ' GLU . 2.8 tm? -58.62 -44.45 89.97 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.268 -179.796 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.5 t -68.6 -34.47 75.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.384 -176.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.97 -38.56 79.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.111 174.899 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.601 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.4 mm? -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.131 177.069 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.484 ' HZ3' HD12 ' B' ' 436' ' ' LEU . 35.5 mmtm -63.27 -38.05 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.402 177.003 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -44.62 90.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.3 mmmm -59.11 -33.62 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.431 178.349 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.59 ' HB2' HD13 ' B' ' 402' ' ' ILE . 49.5 tp -64.96 -43.88 91.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -82.78 -4.66 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 110.858 177.356 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.29 -34.67 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.207 179.639 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.731 -179.588 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.471 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.99 84.52 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 110.295 -179.301 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 p -85.71 -71.19 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.178 0.513 . . . . 0.0 110.675 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 m -140.32 83.64 1.92 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.443 0.64 . . . . 0.0 109.49 175.734 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.574 HD23 ' HG2' ' A' ' 177' ' ' ARG . 67.5 mt -119.71 -23.57 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.536 -176.337 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -77.14 10.66 2.26 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.346 0.593 . . . . 0.0 111.7 -177.702 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -148.06 132.63 17.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.358 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.542 ' HD1' HG21 ' A' ' 176' ' ' ILE . 73.6 m-70 -131.03 145.5 52.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.271 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.761 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -120.81 115.33 23.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.143 -178.611 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.53 141.47 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 111.695 -179.178 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.24 129.1 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 177.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.468 ' SD ' HD13 ' A' ' 90' ' ' LEU . 84.6 mmm -93.02 103.4 15.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.734 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.53 157.23 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.764 0.316 . . . . 0.0 110.912 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.39 145.45 4.18 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.709 -178.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 m -60.33 124.37 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.742 0.417 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' HA3' ' A' ' 71' ' ' GLY . . . 60.53 -105.81 0.9 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -173.701 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.767 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -156.58 56.28 0.39 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.523 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' O ' ' HD3' ' A' ' 129' ' ' LYS . 61.9 t -39.3 -60.41 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.607 0.763 . . . . 0.0 112.942 -176.232 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.47 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . -162.69 62.71 0.27 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.918 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.767 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.5 pttt -125.1 -42.05 2.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.729 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -64.37 -28.09 69.46 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' HB1' " H1'" ' A' ' 500' ' ' GNP . . . -71.52 -46.74 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD13 HD22 ' A' ' 128' ' ' ASN . 9.2 mp -66.54 -33.74 76.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.523 -174.225 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.473 HG22 HG22 ' A' ' 66' ' ' ILE . 76.8 p -64.81 -46.03 83.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.701 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.08 -36.95 85.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 97.1 mt-30 -69.89 -27.55 64.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.25 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.62 -33.95 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.816 0.341 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.49 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 4.6 mpp? -95.09 -52.78 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.53 -15.63 17.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -173.201 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 38.7 t70 72.4 7.26 5.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.59 0.709 . . . . 0.0 111.142 177.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.35 146.58 28.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -77.95 144.65 36.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.87 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.19 109.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.786 0.803 . . . . 0.0 111.499 -176.654 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -104.61 -39.23 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.062 173.688 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -151.08 83.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.673 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -162.38 97.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.86 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 mm-40 -113.54 -44.66 0.07 OUTLIER Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.607 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.86 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.6 Cg_endo -42.24 95.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 123.537 2.825 . . . . 0.0 113.753 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.02 82.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.687 175.025 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' O ' HG21 ' A' ' 78' ' ' ILE . 30.7 mmmt -85.95 -60.64 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.654 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.88 5.43 6.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.117 168.876 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.61 108.05 0.16 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.128 -166.731 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.641 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 4.2 m -98.54 121.21 40.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.552 175.717 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' HD2' ' HG2' ' A' ' 35' ' ' MET . 14.3 t80 -115.29 136.85 52.67 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 20.3 mtm180 -99.59 124.92 45.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 -178.422 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.49 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 53.1 tptt -98.65 127.42 44.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.285 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.17 117.08 23.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.103 0.477 . . . . 0.0 110.866 175.409 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.27 175.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.495 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.9 p -143.86 124.24 9.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.143 172.474 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.0 mt -113.69 107.58 15.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.13 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.7 t70 76.57 -37.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.885 174.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.98 -39.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.105 -1.521 . . . . 0.0 114.516 -178.206 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.2 pt-20 -88.07 133.88 33.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 117.687 0.744 . . . . 0.0 110.272 -177.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -75.1 118.43 18.03 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 13' ' ' ALA . 1.9 t -106.45 137.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.361 -168.453 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -114.28 152.55 31.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.995 174.023 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.594 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 11.8 tt -141.7 126.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.119 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.761 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 6.7 m-20 -86.87 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.641 ' O ' ' HA ' ' A' ' 50' ' ' SER . 22.1 mm -107.74 112.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -98.62 105.01 17.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -92.04 119.73 32.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.4 p -95.43 152.78 18.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 0.0 112.349 -172.788 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.81 111.51 20.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 170.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' HA3' ' N ' ' A' ' 23' ' ' GLY . . . -79.94 69.34 3.09 Favored Glycine 0 C--O 1.228 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.344 -175.115 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -151.5 -179.02 7.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.778 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -93.9 -9.13 38.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.754 0.311 . . . . 0.0 111.548 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 72' ' ' LEU . 4.6 m-20 -71.88 -66.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.469 -177.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.433 ' HB3' HG13 ' A' ' 78' ' ' ILE . 49.1 m-85 -79.04 66.43 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.882 -175.586 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.46 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 111.65 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.611 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.14 -6.08 40.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.556 -177.312 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 10.4 mt -102.27 -32.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.044 0.449 . . . . 0.0 110.806 179.383 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.26 -65.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.832 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.5 -46.45 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.352 0.596 . . . . 0.0 110.969 -171.197 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.611 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.1 m-20 -72.35 -16.86 61.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.421 -174.096 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.528 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.8 OUTLIER -86.76 -6.96 58.67 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.283 -0.26 . . . . 0.0 111.602 177.761 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.35 16.03 0.39 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.09 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.3 -73.32 0.43 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 178.444 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.7 m -80.49 3.92 19.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.02 117.53 6.45 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.072 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 41.4 tt0 -87.87 -73.83 0.47 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.431 0.292 . . . . 0.0 111.011 -174.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.568 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.78 151.95 20.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.184 -179.611 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -130.08 127.16 39.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.996 0.427 . . . . 0.0 111.381 -176.174 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 124' ' ' LEU . 88.1 mt -107.3 110.84 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.172 176.229 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.34 106.05 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.097 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 113.16 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.332 . . . . 0.0 110.749 -178.48 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.95 173.74 10.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.718 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 46.6 t -113.16 142.88 45.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 -179.629 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.21 9.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.247 0.546 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.741 HG22 HD23 ' A' ' 132' ' ' LEU . 23.3 p -132.59 -46.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.669 177.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.718 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 17.3 mt-10 -69.87 90.67 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.627 175.117 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -63.48 -27.15 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.987 -170.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.51 -42.25 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 82.5 p -70.93 -29.72 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -66.47 -43.38 85.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 m -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.176 0.513 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.42 -15.04 62.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.423 -176.545 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.6 p -55.47 -41.89 73.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.688 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.68 98.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.67 -46.28 90.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.24 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.4 m-85 -57.04 -51.42 69.33 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.388 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -58.21 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -177.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.94 -31.83 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.988 -175.141 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.1 -32.13 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 178.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.7 mt -67.96 -47.16 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.484 176.578 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.63 -13.0 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.595 -179.749 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -73.66 -36.24 65.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.959 0.409 . . . . 0.0 110.318 176.524 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.448 HG22 ' HG3' ' A' ' 115' ' ' LYS . 34.9 m -103.58 -24.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.534 -177.797 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG3' HG22 ' A' ' 114' ' ' VAL . 56.1 mtpt -117.42 110.4 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.397 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.08 -31.12 3.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.344 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -130.13 25.77 5.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.142 0.496 . . . . 0.0 110.355 -175.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.24 -15.67 35.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.009 -172.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.3 t70 73.18 -52.37 0.71 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.672 0.789 . . . . 0.0 111.517 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 179' ' ' LYS . 11.9 mptt -80.58 80.95 6.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -176.703 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.433 HG12 ' HE2' ' A' ' 115' ' ' LYS . 21.3 mt -130.51 85.37 56.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 170.342 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.568 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 31.0 Cg_endo -97.52 120.83 0.16 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.639 2.892 . . . . 0.0 112.272 175.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 9.2 mp -108.07 130.1 55.11 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.103 0.477 . . . . 0.0 110.59 179.073 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.601 HD13 ' CG ' ' A' ' 153' ' ' GLN . 4.4 tp -124.4 118.57 26.98 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.834 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.421 ' N ' HD11 ' A' ' 124' ' ' LEU . 21.1 t -82.21 116.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.871 -177.269 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.62 109.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.629 -175.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.22 101.64 2.75 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.131 175.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.45 HD22 HD13 ' A' ' 30' ' ' LEU . 6.1 t-20 -110.45 -174.9 2.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -177.814 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 25' ' ' VAL . 14.3 mmmm 66.0 29.61 10.06 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.132 0.491 . . . . 0.0 110.144 179.806 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -71.09 16.73 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.354 -177.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 129' ' ' LYS . 24.3 t70 -65.09 -38.45 90.76 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.471 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.741 HD23 HG22 ' A' ' 96' ' ' THR . 6.2 mp -83.6 58.58 4.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.258 175.133 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -72.27 -39.06 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.822 0.344 . . . . 0.0 110.161 -178.627 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -79.64 -30.24 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 110.062 177.339 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.7 mtt180 -94.5 23.56 5.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.983 -175.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.0 112.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.698 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 54.3 tp60 -86.22 -35.48 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.071 -174.066 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 95' ' ' ILE . 14.8 p -110.58 124.22 33.7 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.963 177.504 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 36.6 Cg_exo -60.66 126.21 19.24 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.689 2.259 . . . . 0.0 112.873 -177.294 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.01 -22.99 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.819 175.817 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.88 -50.77 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.758 177.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.04 -23.66 30.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.076 -179.617 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.37 -48.3 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.069 0.461 . . . . 0.0 110.454 176.5 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 20.8 mtp180 -64.56 -39.45 93.77 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.177 175.63 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.3 t -55.05 -42.11 72.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.352 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.1 mmtt -68.86 -39.29 79.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.477 179.314 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.69 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.37 0.605 . . . . 0.0 110.231 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.35 -31.09 70.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.322 179.115 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.41 ' CD ' ' HZ1' ' A' ' 146' ' ' LYS . 33.9 tt0 -64.12 -46.27 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.977 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -79.27 -13.92 59.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.087 -176.054 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.35 32.39 16.67 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.462 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 33.8 m -117.83 -178.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.748 0.309 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.601 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -102.46 156.15 17.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 177.937 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.449 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 93.2 t80 -126.31 119.65 27.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 177.712 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 124' ' ' LEU . 87.5 t -125.74 124.86 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -86.02 132.18 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.78 175.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 29.2 p -127.13 130.13 49.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 110.999 -176.282 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.512 ' HB2' ' HB1' ' A' ' 163' ' ' ALA . 15.0 m -110.73 101.63 10.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.582 178.14 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -173.534 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -76.08 -6.58 51.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.908 0.385 . . . . 0.0 111.248 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.0 p -130.69 -1.4 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.43 . . . . 0.0 110.182 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 66.31 21.58 10.96 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.796 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 158' ' ' SER . . . -76.54 118.89 19.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.237 -175.689 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 66.69 9.37 6.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.191 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.3 -41.97 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -76.27 -37.65 57.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.121 178.808 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -54.98 -49.5 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.353 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -34.89 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.256 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -75.6 -44.64 41.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 178.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.0 m-85 -69.64 -40.21 76.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.698 -178.118 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.83 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 110.353 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.6 tp -62.54 -43.87 97.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.531 ' HA ' HD12 ' A' ' 176' ' ' ILE . 9.7 ptp -66.61 -29.12 69.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.527 -178.22 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 17.3 mmt180 -66.6 -47.61 72.14 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.622 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.454 ' HG3' ' NE2' ' A' ' 153' ' ' GLN . 5.4 mm-40 -64.48 -30.17 71.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.645 175.336 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.705 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 25.1 mt -56.32 -49.35 77.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 168.863 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.574 ' HG2' HD23 ' A' ' 12' ' ' LEU . 37.5 mtp85 -58.09 -40.19 80.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 175.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.417 ' HG1' ' HA ' ' A' ' 175' ' ' GLU . 12.2 m -55.79 -39.21 70.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 178.296 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.533 ' HB3' ' HE3' ' A' ' 120' ' ' LYS . 13.6 mptt -73.45 -36.65 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.668 0.27 . . . . 0.0 111.307 178.179 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.705 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 18.2 mmmt -73.36 -34.68 65.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.434 -177.715 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.3 mtt -85.82 -28.61 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.465 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 61.2 p 48.89 -104.9 0.14 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.875 0.734 . . . . 0.0 110.285 -167.501 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.7 101.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.751 174.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -104.67 26.7 8.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.535 -179.453 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--O 1.247 0.936 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.104 -177.995 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.908 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 5.0 p -151.22 79.1 1.3 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.006 0.432 . . . . 0.0 110.57 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.7 -54.69 38.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.154 -176.515 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.426 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.0 m -93.27 -31.83 14.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 0.0 111.228 -177.16 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.908 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 88.8 mt-30 -61.71 -27.35 68.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.336 -178.618 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.71 24.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.437 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.09 -35.44 90.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.911 -179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.522 ' O ' HG13 ' B' ' 402' ' ' ILE . 28.9 mm -58.48 -47.55 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.144 0.497 . . . . 0.0 110.096 177.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -58.55 -40.21 82.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.431 -179.39 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.46 -43.06 97.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.947 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.512 ' HB2' HD12 ' B' ' 439' ' ' LEU . 30.2 mt-10 -81.08 -27.48 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.653 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.6 mt -54.73 -53.26 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 170.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -63.31 -30.76 71.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 9.7 ttm-85 -62.27 -50.71 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.288 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.431 ' HB3' ' HB2' ' B' ' 436' ' ' LEU . 75.6 mm-40 -70.65 -31.86 68.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.954 -176.676 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.8 mt-10 -60.01 -44.31 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.425 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -69.22 -44.14 72.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.65 177.744 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 57.3 mt -59.89 -51.7 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.024 -178.046 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.23 -35.07 79.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.707 0.289 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.5 -43.57 98.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 109.836 176.133 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -60.07 -51.0 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.438 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.506 ' O ' HD11 ' B' ' 416' ' ' LEU . 4.2 mm? -55.42 -41.95 73.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.697 0.284 . . . . 0.0 111.454 175.577 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.78 -48.88 72.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.981 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.54 -39.31 91.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.662 0.268 . . . . 0.0 111.369 -177.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.88 -48.72 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.742 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 9.2 mp -75.07 -40.36 60.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.284 -178.738 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -69.97 -9.52 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 -179.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -84.92 -8.02 83.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 172.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.99 -0.21 24.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.897 176.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.742 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 55.4 mt -112.58 115.74 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.552 -177.639 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 28.9 t70 -150.19 171.96 16.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.504 -176.121 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.16 -32.57 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.9 0.381 . . . . 0.0 110.578 178.785 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 32.8 t -61.5 -31.6 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.334 0.588 . . . . 0.0 109.715 177.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.726 ' HB3' HD13 ' B' ' 416' ' ' LEU . 59.3 mmtt -72.1 -52.9 14.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.778 -176.24 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.9 -42.99 99.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.472 -174.498 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 41.5 mt-10 -63.94 -43.38 96.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.426 177.498 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' B' ' 431' ' ' GLU . 16.6 mmt180 -64.23 -35.92 82.41 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.311 177.701 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 28.6 mt -55.82 -53.56 55.27 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.289 -179.356 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.456 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 76.7 m95 -66.38 -41.96 88.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.964 -177.792 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.499 ' O ' HG13 ' B' ' 435' ' ' ILE . 10.2 pt-20 -72.69 -41.58 65.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.673 -177.159 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.556 ' HA ' HD12 ' B' ' 435' ' ' ILE . 6.8 p -66.3 -35.08 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.424 0.63 . . . . 0.0 110.328 -178.233 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -60.69 -42.35 96.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.309 175.332 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -57.41 -37.21 72.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.171 176.671 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' B' ' 432' ' ' VAL . 7.5 mt -68.37 -49.01 70.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.855 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.431 ' HB2' ' HB3' ' B' ' 405' ' ' GLN . 20.8 tp -58.73 -43.62 90.26 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 177.07 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.405 HG23 ' HA ' ' B' ' 434' ' ' ARG . 7.1 t -69.2 -32.98 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -178.144 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.625 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.08 -40.59 82.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.853 174.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.653 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -57.04 -45.48 83.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 177.512 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.7 -32.92 74.56 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.337 0.589 . . . . 0.0 110.262 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.14 -46.91 60.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.7 mmmt -58.47 -39.69 80.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.037 178.395 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.465 ' CA ' HG23 ' B' ' 398' ' ' ILE . 3.2 tm? -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 -179.605 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -82.65 -2.63 54.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.436 -178.437 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.46 -51.75 4.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.448 176.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.477 -175.113 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.654 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 61.68 30.55 18.55 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.398 0.618 . . . . 0.0 109.485 -176.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -100.54 114.32 27.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.833 -172.516 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 m 61.64 19.83 10.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.697 171.737 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.7 mt -85.77 -22.26 27.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.112 0.482 . . . . 0.0 110.835 -177.179 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.5 5.76 37.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 176.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 tp -112.09 130.71 55.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.339 178.063 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.456 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 71.9 m-70 -133.25 139.06 46.74 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.862 -173.898 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -114.26 114.52 26.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.857 -178.147 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 58.5 t -131.91 128.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -178.384 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 HD12 ' CE2' ' A' ' 89' ' ' PHE . 42.3 mt -110.21 134.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 110.332 175.781 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.448 ' HG3' ' CG2' ' A' ' 31' ' ' THR . 94.9 mmm -91.19 120.11 31.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.53 177.373 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 91' ' ' LEU . 30.9 m -94.77 170.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.583 -173.841 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' HA3' ' HG2' ' A' ' 27' ' ' LYS . . . 160.06 -177.6 36.46 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.162 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -124.37 -69.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.218 0.532 . . . . 0.0 109.609 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.94 -108.88 1.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.242 176.285 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.89 63.64 2.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.5 -178.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.544 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 93.0 t -84.46 -16.09 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.717 0.77 . . . . 0.0 109.804 176.523 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' HA3' ' NZ ' ' A' ' 129' ' ' LYS . . . 92.15 13.8 57.0 Favored Glycine 0 C--N 1.322 -0.198 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.327 -177.571 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.07 -8.1 54.22 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.368 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' O2B' ' A' ' 500' ' ' GNP . 12.7 t -100.59 -6.0 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 -177.804 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -73.19 -50.57 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 111.045 177.419 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD21 HG11 ' A' ' 165' ' ' VAL . 96.2 mt -63.79 -32.3 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.551 -171.822 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 19' ' ' MET . 8.2 p -63.77 -55.3 24.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 -177.675 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -35.96 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 179.48 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 86.3 mt-30 -65.53 -52.32 53.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.37 -179.397 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.37 -35.45 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.54 -176.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtm -75.0 -48.58 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.55 -4.47 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.34 33.76 22.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 36.6 tt0 -144.22 151.43 39.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 -179.011 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -75.03 115.5 14.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 176.809 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.12 114.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.267 0.556 . . . . 0.0 111.09 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -86.16 -59.88 2.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.357 174.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -124.69 129.85 51.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -174.84 89.3 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.572 ' HA ' ' O1G' ' A' ' 500' ' ' GNP . 42.9 mt-10 -75.88 -53.48 2.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.994 -171.594 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.38 124.19 12.96 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.544 1.496 . . . . 0.0 111.82 177.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.528 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -149.82 39.42 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 171.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.525 ' HG2' ' HB1' ' A' ' 70' ' ' ALA . 50.5 mtmt -85.48 -46.91 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.353 -177.401 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.63 7.9 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.684 0.754 . . . . 0.0 109.238 176.708 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.4 m-20 -79.43 80.58 5.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.333 -176.129 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.402 ' OG ' HD12 ' A' ' 67' ' ' LEU . 50.2 m -125.35 123.66 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' HE1' ' HG3' ' B' ' 440' ' ' LYS . 79.5 m-85 -118.61 149.15 41.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -174.412 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HG3' HG23 ' B' ' 437' ' ' THR . 43.4 mtp180 -92.24 125.77 37.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.849 -178.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -98.76 126.79 44.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.793 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -95.66 124.16 39.55 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.225 174.823 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.22 144.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.889 175.478 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG21 ' C ' ' A' ' 60' ' ' GLU . 4.8 p -122.06 115.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.562 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -106.79 99.81 9.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.583 0.706 . . . . 0.0 111.085 -177.866 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 57.9 43.4 21.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.713 -1.13 . . . . 0.0 112.516 177.718 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.08 -55.05 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.798 -1.192 . . . . 0.0 115.119 171.169 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' C ' HG21 ' A' ' 56' ' ' VAL . 8.8 pt-20 -88.62 131.2 35.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.413 0.607 . . . . 0.0 111.342 -171.36 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.92 111.35 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.167 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.43 143.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.072 -172.881 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.521 ' HB3' HH21 ' A' ' 52' ' ' ARG . 8.2 mm100 -113.5 117.62 32.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.726 -172.49 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 15.1 tt -111.28 126.3 68.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 0.0 110.28 175.787 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -110.46 110.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.596 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.21 151.6 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-O 121.343 0.592 . . . . 0.0 112.033 -175.692 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ASP . 19.9 tp -119.77 132.19 55.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.78 174.678 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t0 -98.92 -176.2 3.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 172.311 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -153.32 148.96 27.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.915 -0.491 . . . . 0.0 111.285 -174.443 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.525 ' HB1' ' HG2' ' A' ' 47' ' ' LYS . . . -77.36 140.76 40.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.513 171.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.01 67.49 3.59 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.928 -177.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD12 ' H ' ' A' ' 75' ' ' TYR . 0.9 OUTLIER -155.65 169.89 23.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.508 -177.351 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -100.66 -2.9 31.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.351 0.596 . . . . 0.0 109.707 178.548 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' HD12 ' A' ' 72' ' ' LEU . 5.0 m-20 -63.01 -64.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.643 -178.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.52 ' H ' HD12 ' A' ' 72' ' ' LEU . 73.8 m-85 -80.58 72.27 7.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.674 -175.206 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.56 -24.07 67.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.837 176.354 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.87 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.06 -18.83 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.564 -179.16 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.4 HD13 ' O ' ' A' ' 47' ' ' LYS . 64.6 mt -92.84 -36.59 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 -178.522 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -85.52 -63.94 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.828 -178.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.83 -55.96 19.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.141 -172.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.87 HD21 ' HA ' ' A' ' 77' ' ' ALA . 57.1 m-80 -65.8 -35.43 80.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.277 -172.156 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.607 ' OH ' HD13 ' B' ' 409' ' ' LEU . 22.2 m-85 -73.8 -31.08 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.197 -0.314 . . . . 0.0 111.664 -179.797 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.3 m-30 -63.37 -24.64 67.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.904 -177.492 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HG2' ' HB ' ' A' ' 114' ' ' VAL . 20.3 mtp-105 -68.01 -49.56 60.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 -178.128 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.415 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 73.2 m -85.85 21.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 175.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.39 126.1 8.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.356 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 16' ' ' LYS . 45.2 mt-10 -86.14 -74.06 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.63 0.252 . . . . 0.0 111.363 -178.036 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.94 151.45 19.5 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.398 -177.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 18' ' ' ILE . 88.9 m-85 -134.62 133.15 39.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.41 . . . . 0.0 111.24 -178.125 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.514 HD23 ' HB3' ' A' ' 124' ' ' LEU . 65.2 mt -96.03 113.9 25.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 171.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD11 HG21 ' A' ' 20' ' ' VAL . 28.1 tp -89.76 106.02 18.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.468 -176.212 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.874 HG12 ' HB ' ' A' ' 126' ' ' VAL . 21.3 m -119.16 142.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 111.412 -175.293 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.544 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 31.1 p90 -153.51 156.56 38.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.178 177.007 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -88.93 129.78 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.389 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.554 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.37 1.0 2.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.523 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.477 HG21 HD21 ' A' ' 132' ' ' LEU . 23.7 p -85.93 -40.68 15.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.278 0.561 . . . . 0.0 109.591 174.494 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.92 104.42 16.23 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.635 -179.507 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.298 -175.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.13 -28.75 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 -177.463 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.44 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 17.9 m -64.93 -25.85 68.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 178.393 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -74.15 -34.51 63.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.273 178.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -28.38 64.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.556 0.693 . . . . 0.0 109.941 177.265 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.97 60.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.042 -176.767 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.469 ' HB ' ' HH2' ' A' ' 150' ' ' TRP . 41.7 p -54.2 -45.07 72.1 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.977 0.418 . . . . 0.0 111.232 -179.548 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.03 94.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 176.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.772 179.145 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 111' ' ' ILE . 25.2 m-85 -58.01 -50.95 71.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.416 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' O ' ' HB ' ' A' ' 111' ' ' ILE . 57.0 ttt180 -62.5 -46.57 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.035 -177.15 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.0 -35.24 80.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -65.64 -32.24 73.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.285 0.564 . . . . 0.0 109.922 177.321 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.62 HG23 ' HZ3' ' A' ' 115' ' ' LYS . 90.7 mt -65.3 -40.11 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.153 177.746 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.18 -29.7 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 177.242 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -59.47 -31.12 69.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.728 ' HB ' ' HG2' ' A' ' 84' ' ' ARG . 31.9 m -100.06 2.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.648 -179.317 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.874 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.2 mtmm -143.44 -91.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.13 -47.09 0.62 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.927 0.891 . . . . 0.0 112.911 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -88.61 24.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.48 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.874 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 56.4 mm-40 -93.69 173.83 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.19 -179.65 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.15 -74.48 0.09 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.007 179.607 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -143.76 141.82 30.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.154 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -119.57 99.7 49.67 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -88.92 125.4 1.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.123 2.548 . . . . 0.0 113.079 -177.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 6.7 mp -117.36 151.82 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 177.183 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.581 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.0 tp -133.92 115.94 15.01 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.235 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 91' ' ' LEU . 6.5 t -84.03 118.64 31.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.271 0.557 . . . . 0.0 110.377 -175.458 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.874 ' HB ' HG12 ' A' ' 92' ' ' VAL . 25.6 t -121.57 122.26 66.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.719 -176.492 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.46 111.24 3.52 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 173.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.28 145.83 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.14 0.47 . . . . 0.0 111.198 -174.452 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.589 ' HG2' ' C4 ' ' A' ' 500' ' ' GNP . 6.4 mppt? 61.5 40.37 13.82 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.126 178.522 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.9 m -72.81 30.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.232 0.539 . . . . 0.0 111.058 174.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' A' ' 129' ' ' LYS . 28.8 t70 -87.78 -17.58 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.673 -179.459 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.482 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -68.37 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.01 178.299 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.09 -57.14 0.61 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.607 0.763 . . . . 0.0 111.966 -177.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -19.32 60.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -173.1 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -104.82 15.09 28.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.552 0.215 . . . . 0.0 111.458 178.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -69.51 112.38 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.468 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.08 -3.15 35.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.2 p -114.24 121.17 36.92 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.433 . . . . 0.0 110.557 176.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.71 118.12 4.95 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.354 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.53 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -67.2 -19.81 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.606 179.47 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.84 -52.87 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.546 179.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 145' ' ' SER . 2.1 pt-20 -87.3 -18.4 30.26 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.893 178.625 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -62.89 -44.51 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.512 . . . . 0.0 110.165 176.549 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -71.38 -36.16 71.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.919 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' A' ' 142' ' ' GLU . 23.3 t -60.1 -35.96 76.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.811 176.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -61.33 -38.64 87.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.687 0.28 . . . . 0.0 111.1 176.26 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 154' ' ' TYR . . . -61.73 -44.17 97.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.24 -41.09 92.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.119 175.618 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.88 -40.39 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.246 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.469 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 40.9 m0 -92.63 -7.61 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.687 -175.704 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.55 35.99 21.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.435 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.75 -178.63 2.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.568 0.223 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.581 ' HG3' HD13 ' A' ' 124' ' ' LEU . 9.1 pt20 -103.99 157.63 16.97 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.681 174.927 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.477 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 89.4 t80 -121.57 122.74 40.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.607 176.172 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.55 130.04 72.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.524 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.09 140.28 29.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.6 p -127.95 130.44 48.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.115 0.483 . . . . 0.0 111.641 -174.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.483 ' HB2' ' HB2' ' A' ' 163' ' ' ALA . 14.0 m -93.81 91.49 6.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.833 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.08 -1.36 12.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.194 -174.084 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.793 ' HB2' HN21 ' A' ' 500' ' ' GNP . 49.8 tptt -83.83 -18.49 37.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.699 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.0 p -130.75 3.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.29 -178.59 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 62.32 24.25 14.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.559 -176.103 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 158' ' ' SER . . . -71.83 118.94 15.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.996 -178.249 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 163' ' ' ALA . 4.9 m-20 74.22 0.71 3.68 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.947 0.78 . . . . 0.0 111.719 177.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 168' ' ' VAL . 88.4 t -68.72 -48.55 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.376 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.85 -34.42 78.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -175.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -52.03 -51.71 55.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.084 -176.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 165' ' ' VAL . 23.0 m -60.64 -27.37 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.323 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -74.93 -48.53 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 0.0 110.512 178.142 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.514 ' HA ' ' HE2' ' A' ' 173' ' ' MET . 82.3 m-85 -67.8 -41.12 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.236 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.25 -51.37 66.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.999 -176.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.6 tp -61.64 -35.84 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.554 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.514 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 56.8 mtm -60.88 -30.63 70.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.153 177.905 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -66.45 -42.19 87.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 178.389 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.418 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 18.8 mt-10 -66.59 -37.38 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.234 177.813 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 172' ' ' LEU . 71.7 mt -56.81 -34.05 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.852 179.536 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.05 -49.03 76.14 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.3 m -62.45 -38.96 91.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.7 mptt -62.7 -44.49 96.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.914 177.784 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.33 -34.34 74.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.237 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.9 -37.23 85.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.9 m 71.44 145.98 0.07 Allowed 'General case' 0 C--O 1.232 0.157 0 O-C-N 124.295 0.997 . . . . 0.0 111.771 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.628 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 7.4 tp10 -77.08 140.33 40.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.039 -178.205 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.76 -12.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.933 179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.628 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 24.1 pttm . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.7 -176.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.894 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 39.1 m -68.06 125.11 25.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.671 0.272 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.35 -70.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.912 -178.806 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' B' ' 446' ' ' ALA . 8.8 m -79.52 -29.98 41.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.232 0.539 . . . . 0.0 110.479 -177.746 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.894 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 64.7 mt-30 -64.2 -26.73 68.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.93 -179.422 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.74 -55.25 31.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.502 -177.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.12 -37.88 93.45 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.275 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.449 ' O ' HG13 ' B' ' 402' ' ' ILE . 29.5 mm -58.19 -50.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.625 0.25 . . . . 0.0 110.869 178.777 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 61.8 mttm -58.66 -45.62 88.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.545 -177.818 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.61 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.099 179.237 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -68.0 -34.02 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.887 0.375 . . . . 0.0 110.158 178.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.51 ' HA ' HD23 ' B' ' 439' ' ' LEU . 45.5 mt -57.12 -51.44 69.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.346 173.599 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' B' ' 399' ' ' LYS . 21.3 mmm180 -59.35 -32.97 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.681 -179.467 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.4 ttm180 -65.94 -48.4 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 177.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.78 -36.94 73.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.952 -175.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 67.9 mt-10 -61.28 -38.54 87.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -71.5 -43.25 66.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.099 176.591 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 71.0 mt -57.32 -46.47 83.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.306 178.716 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.607 HD13 ' OH ' ' A' ' 82' ' ' TYR . 21.9 tp -71.66 -36.88 70.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.405 -178.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 62.2 t30 -67.78 -43.15 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.951 179.824 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 411' ' ' SER . . . . . 0.768 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 10.2 t -62.13 -42.65 99.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.39 -177.74 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.426 ' CB ' HD23 ' B' ' 429' ' ' LEU . 33.1 mt -63.78 -37.61 88.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 110.443 174.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.4 m170 -61.67 -33.18 73.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.811 175.87 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.768 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 80.3 mtm180 -74.34 -43.49 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.963 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.28 -51.63 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.935 -177.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.529 HD21 ' CG ' ' B' ' 425' ' ' LYS . 62.5 mt -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.755 -177.176 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.4 tt0 -72.43 -12.25 61.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.32 -177.254 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.34 0.45 89.67 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.41 177.81 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.69 -10.18 45.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.302 177.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 46.1 mt -89.07 143.21 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.513 ' HA ' HD23 ' B' ' 416' ' ' LEU . 0.5 OUTLIER -149.85 149.67 30.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 111.737 175.053 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.598 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 23.9 t70 -148.24 163.08 38.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.396 175.745 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.67 -32.64 71.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.667 0.27 . . . . 0.0 110.98 -177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 16.8 t -64.61 -31.87 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.006 0.431 . . . . 0.0 109.866 178.627 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.598 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.6 mmtt -64.06 -54.23 37.36 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.318 0.58 . . . . 0.0 110.879 -176.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.427 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 11.2 pt-20 -64.81 -36.59 84.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.195 -175.12 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.6 mt-10 -65.56 -49.75 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.65 ' O ' HG23 ' B' ' 432' ' ' VAL . 23.7 mmt180 -61.09 -39.86 91.54 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.62 179.245 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' B' ' 429' ' ' LEU . 9.5 mt -57.29 -42.94 82.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.586 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -67.0 -42.17 85.47 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.291 175.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.57 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 46.0 mt-10 -59.02 -55.44 35.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.306 -178.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.6 t -58.31 -35.41 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.799 -178.331 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 26.0 tp60 -56.73 -58.43 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.288 -178.7 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.631 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -70.85 -25.32 62.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.988 -178.766 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' B' ' 432' ' ' VAL . 81.9 mt -62.98 -49.94 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 173.644 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.02 -44.23 82.63 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.12 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.631 HG22 ' HA ' ' B' ' 434' ' ' ARG . 2.4 t -69.82 -40.45 75.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.399 -177.466 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -61.8 -35.44 78.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.5 0.667 . . . . 0.0 109.653 175.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' B' ' 402' ' ' ILE . 7.4 tp -66.81 -40.27 88.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.834 179.182 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.411 ' HG3' ' HE1' ' A' ' 51' ' ' TYR . 29.7 mmtp -63.85 -33.05 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 177.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -66.43 -44.32 83.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.164 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -58.24 -37.16 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.829 178.043 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.445 ' HB2' HD12 ' B' ' 402' ' ' ILE . 3.2 tm? -62.62 -44.97 94.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.345 178.659 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -82.53 -2.35 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.402 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.28 -35.2 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.016 178.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.42 ' HB2' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.075 -176.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.793 HN21 ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 66.06 87.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.651 0.738 . . . . 0.0 111.281 -178.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 12' ' ' LEU . 66.3 m -88.1 -3.83 58.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.664 173.256 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -77.94 20.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.23 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 10' ' ' SER . 69.5 mt -87.34 15.65 6.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -178.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 12.9 3.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.24 0.543 . . . . 0.0 111.39 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -135.74 115.71 13.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.676 176.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 13.7 m-70 -115.4 152.68 32.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.938 -179.763 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.879 ' HG2' ' HB2' ' A' ' 65' ' ' ASP . 35.0 mtmt -135.82 122.19 20.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.363 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.04 128.73 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.256 0.55 . . . . 0.0 110.145 177.443 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 83' ' ' PHE . 63.6 mt -102.2 124.33 56.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.52 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.501 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 60.7 tpp -88.04 111.82 21.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.789 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.14 150.32 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 0.0 111.002 -179.218 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.69 173.0 24.63 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -176.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 p -98.57 -175.29 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.37 0.585 . . . . 0.0 111.045 -178.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.01 35.33 2.75 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.31 -0.472 . . . . 0.0 113.424 -175.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.23 -15.41 1.01 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.676 178.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 t -75.86 -23.8 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.62 31.64 58.38 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.287 -174.198 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HE2' ' HG3' ' A' ' 19' ' ' MET . 11.4 ptmm? -58.11 -23.78 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.462 0.705 . . . . 0.0 112.663 -175.182 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 m -76.3 -25.77 55.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 178.012 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 159' ' ' ALA . 87.5 mt -74.02 -35.66 64.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.749 -177.71 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.526 ' HA ' ' HZ ' ' A' ' 169' ' ' PHE . 23.7 p -67.57 -54.58 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 7.4 mp -70.56 -14.58 62.56 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.558 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.691 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.32 -30.39 68.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.193 177.014 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.97 -26.45 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.1 -178.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.731 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -76.33 -35.03 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.854 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 76.9 m-85 -116.5 4.72 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -168.667 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.0 m-20 71.66 -58.0 0.59 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.646 0.591 . . . . 0.0 110.201 -175.626 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.11 127.53 52.61 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.763 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.691 ' HB3' ' HA ' ' A' ' 33' ' ' GLN . 2.5 t80 -154.95 128.09 8.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.438 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' ' 39' ' ' PHE . 5.4 p -176.28 107.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 121.955 0.883 . . . . 0.0 111.131 152.538 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -98.8 12.86 34.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.462 175.145 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 66.04 95.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.196 -173.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.67 134.9 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.078 -165.606 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.652 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 8.6 tp10 -126.45 -58.31 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 174.941 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 14.4 Cg_endo -55.9 103.76 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.381 2.054 . . . . 0.0 112.952 -176.67 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -160.69 79.61 0.64 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.345 179.214 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -88.54 -59.07 2.33 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.858 176.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.92 -31.78 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.722 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.22 149.94 48.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.148 -170.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.5 m -151.92 -177.47 6.16 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.028 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.22 142.09 51.57 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.389 -170.485 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 6.4 tpp180 -78.07 132.42 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.746 176.917 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.731 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.1 tptt -127.8 132.37 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.176 175.363 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.61 131.68 52.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.577 174.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.5 m -140.36 149.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 -179.799 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -136.56 110.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.477 0.656 . . . . 0.0 110.492 173.307 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.44 97.4 7.15 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 48.98 81.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.386 -174.626 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.65 -126.34 1.71 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.986 -1.102 . . . . 0.0 114.23 178.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -113.63 169.07 9.24 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.202 0.201 . . . . 0.0 110.616 -173.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.32 107.82 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.579 -179.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.8 t -106.93 140.5 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.154 -178.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.69 153.16 29.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.962 0.41 . . . . 0.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 17.4 tt -134.82 131.79 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.962 -176.84 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.879 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 20.3 m-20 -90.8 126.69 36.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 176.726 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.1 mm -108.91 136.03 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.645 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.76 109.21 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.704 0.288 . . . . 0.0 110.343 177.14 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.95 94.63 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.186 0.517 . . . . 0.0 110.054 176.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -61.07 138.34 58.2 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.291 -176.773 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.452 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -64.1 142.78 58.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.342 177.621 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 51.87 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.658 179.061 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.452 ' HG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -132.56 174.59 10.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.863 -0.168 . . . . 0.0 110.732 -178.822 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.96 12.75 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.391 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HB2' HD11 ' A' ' 72' ' ' LEU . 15.7 m-20 -87.16 -76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.333 0.587 . . . . 0.0 112.095 -176.613 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -78.08 79.61 4.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.217 -169.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.42 -17.66 62.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 110.565 174.321 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.84 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.78 -6.86 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.35 179.474 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.703 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 65.6 mt -104.09 -28.88 2.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 178.626 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -93.21 -64.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.98 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.64 -54.63 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.268 0.556 . . . . 0.0 111.274 -176.351 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.84 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 93.5 m-20 -72.35 -16.96 61.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.444 -172.484 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.885 ' HE2' ' HE1' ' B' ' 413' ' ' HIS . 0.1 OUTLIER -92.52 -25.35 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.883 -176.228 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -75.49 68.15 2.11 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.411 ' NH2' ' HE3' ' B' ' 421' ' ' LYS . 18.9 mmt180 -129.04 -67.45 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -177.672 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -84.22 32.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.395 -178.521 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.85 135.7 12.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.025 -179.058 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 3.5 mm-40 -84.73 -65.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.847 0.356 . . . . 0.0 110.206 -177.541 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.95 157.15 15.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.247 -175.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -123.82 132.49 53.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 111.238 -178.402 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.7 mt -96.42 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.904 175.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.58 HD23 HG23 ' A' ' 125' ' ' VAL . 43.7 tp -100.74 106.58 18.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.307 -176.265 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.48 140.08 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.09 0.471 . . . . 0.0 111.612 -174.299 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -140.3 172.75 12.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.709 177.281 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.4 p -123.6 147.73 47.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.928 0.394 . . . . 0.0 110.66 179.316 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.568 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -81.01 -5.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.981 -175.901 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.716 HG21 HD21 ' A' ' 132' ' ' LEU . 1.1 p -94.78 -44.96 7.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.435 174.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.96 93.26 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.677 178.354 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.428 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 46.5 t-80 -60.28 -24.18 64.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 -177.167 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.41 -48.65 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.066 177.162 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.8 p -67.1 -32.38 73.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.368 -175.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.25 -46.16 78.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.672 -179.589 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.1 m -72.71 -28.32 62.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.3 0.572 . . . . 0.0 110.434 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.21 -14.11 60.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.25 -177.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 p -50.37 -47.27 56.28 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.107 0.479 . . . . 0.0 111.403 -179.008 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.09 95.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.561 178.098 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.54 -41.65 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.141 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.471 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.9 m-85 -58.7 -48.13 82.18 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.429 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -62.77 -41.82 99.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.821 -178.584 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.69 -35.32 79.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.179 179.014 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.76 -31.84 71.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.627 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 107' ' ' PHE . 83.2 mt -66.85 -52.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.643 176.294 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.543 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.5 mp -70.01 -13.63 62.31 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.984 0.421 . . . . 0.0 111.132 -179.145 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 113' ' ' ARG . 35.7 ttt180 -71.4 -35.61 71.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.182 0.515 . . . . 0.0 110.031 178.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.813 HG22 ' HG3' ' A' ' 115' ' ' LYS . 31.8 m -105.2 -25.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.072 -177.836 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.813 ' HG3' HG22 ' A' ' 114' ' ' VAL . 6.5 mtpm? -129.2 109.08 10.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.361 -179.044 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.95 14.11 0.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.748 0.309 . . . . 0.0 111.543 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -136.11 26.08 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 109.841 -177.011 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.24 -174.08 2.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.369 -175.209 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -72.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.167 172.329 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.712 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 73.9 mmtt -145.0 132.25 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.232 -177.073 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.6 mt -108.7 99.57 34.66 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.707 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 92.3 Cg_endo -84.68 136.39 6.23 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.906 2.404 . . . . 0.0 112.625 -179.551 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.58 149.33 43.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.43 179.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.726 HD12 ' HG2' ' A' ' 153' ' ' GLN . 5.5 tp -136.12 114.5 11.69 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.767 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.58 HG23 HD23 ' A' ' 91' ' ' LEU . 7.4 t -87.04 119.32 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.253 0.549 . . . . 0.0 109.679 -177.879 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.88 136.18 51.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.231 -175.52 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.18 117.8 5.98 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.215 175.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 63.8 t30 -107.78 168.82 9.0 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.595 ' HB3' HD22 ' A' ' 132' ' ' LEU . 2.7 mptm? 73.0 31.65 1.46 Allowed 'General case' 0 C--O 1.223 -0.306 0 O-C-N 123.678 0.611 . . . . 0.0 111.489 -179.385 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.8 m -71.29 -2.46 16.27 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.83 -0.544 . . . . 0.0 110.366 176.598 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.45 -25.76 63.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.78 -177.059 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.716 HD21 HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -81.52 -53.11 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.545 -177.743 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 66.26 -69.84 0.11 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.548 0.739 . . . . 0.0 112.153 -177.655 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.2 pt-20 -61.46 -27.05 68.29 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.127 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.504 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 27.9 mtp180 -92.0 18.05 8.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.517 -174.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.568 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -68.24 113.26 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.504 -179.765 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.428 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 36.6 tt0 -91.11 -29.55 17.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.623 -177.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.7 124.21 33.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.776 0.322 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.69 120.18 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.268 1.979 . . . . 0.0 110.895 175.753 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.0 p -71.94 -6.42 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.184 0.516 . . . . 0.0 110.82 -175.214 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.86 -52.78 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.563 176.411 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 11.4 pt-20 -74.86 -21.52 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -178.899 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.0 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 177.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 21.8 mtp180 -67.42 -39.13 85.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.176 0.513 . . . . 0.0 110.112 177.324 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.4 t -56.37 -34.49 66.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.878 176.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 75.2 mmtt -62.6 -47.94 81.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.816 178.027 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.14 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.28 -42.59 88.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.3 -25.16 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.524 -179.394 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -91.9 -4.34 54.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.187 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.72 41.08 89.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.337 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.42 179.21 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.726 ' HG2' HD12 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.83 149.19 24.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.787 176.346 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -127.44 114.95 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.607 174.41 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.4 p -135.71 142.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.048 178.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.21 153.43 22.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 111.718 -176.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.0 p -141.16 166.58 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.508 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.9 m -152.67 116.23 4.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.577 ' HB3' HD22 ' A' ' 30' ' ' LEU . . . -86.13 -30.15 22.75 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.487 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.5 -23.03 53.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.933 0.397 . . . . 0.0 110.636 -175.6 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 2.1 p -106.97 -5.46 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.976 174.658 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.435 ' HG3' ' OE1' ' A' ' 33' ' ' GLN . 6.5 mpt_? 60.16 80.66 0.2 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.474 -179.641 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -150.13 127.53 11.45 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 67.37 5.24 4.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 171.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 33' ' ' GLN . 18.2 t -69.09 -37.1 76.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 111.079 -175.473 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -72.04 -29.77 64.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.37 -48.08 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.289 -177.778 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.97 -29.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.683 -175.671 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.526 ' HZ ' ' HA ' ' A' ' 31' ' ' THR . 29.7 m-85 -70.38 -55.91 7.94 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.64 178.672 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.456 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.2 m-85 -61.12 -34.68 75.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.24 -178.122 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.9 -51.96 67.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 -178.22 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.509 ' O ' HG13 ' A' ' 176' ' ' ILE . 41.3 tp -69.47 -34.66 74.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.18 0.515 . . . . 0.0 110.246 179.181 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.6 mtp -61.05 -32.25 71.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 178.165 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 27.4 mmt180 -68.41 -43.08 77.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.606 175.935 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.473 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.0 mt-10 -60.69 -34.68 74.71 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.392 0.433 . . . . 0.0 111.499 179.078 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 172' ' ' LEU . 72.5 mt -55.88 -32.43 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.391 -178.632 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.9 m -65.84 -34.5 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.712 -178.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.712 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.7 mptt -68.84 -42.28 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -179.388 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -75.02 -29.94 60.95 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm -78.78 -20.8 48.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.795 177.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 7.7 t 65.12 -146.59 0.24 Allowed 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.785 0.678 . . . . 0.0 109.885 177.559 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 14.9 tp10 -77.78 -58.53 3.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.645 -179.443 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 47.38 25.76 0.64 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.442 1.097 . . . . 0.0 112.674 -177.069 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 183' ' ' GLU . 31.4 mmmt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.259 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.841 -0.504 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.759 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 3.7 p -85.61 62.38 7.43 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.873 0.368 . . . . 0.0 110.314 177.135 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -51.03 -60.1 3.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.854 -174.261 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 19.1 m -88.79 -28.11 20.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 -178.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.759 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 80.3 mt-30 -62.53 -29.9 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.006 -178.69 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.73 -54.61 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.24 -37.1 92.63 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.136 -179.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.424 ' O ' HG13 ' B' ' 402' ' ' ILE . 42.7 mm -58.18 -50.5 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 110.113 177.457 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.458 ' HA ' HD13 ' B' ' 402' ' ' ILE . 60.1 mttm -61.31 -34.77 75.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.383 -178.89 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 43.0 mt-10 -61.55 -48.64 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.881 178.387 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.451 ' HG2' ' NH2' ' B' ' 404' ' ' ARG . 18.8 mt-10 -68.49 -32.46 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.491 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 88.3 mt -57.17 -52.95 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.55 -38.0 71.3 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 178.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.451 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 34.6 ttm180 -62.72 -44.81 95.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.855 -178.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 72.2 mm-40 -75.85 -31.3 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.327 -178.376 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.1 mt-10 -60.37 -41.7 94.28 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.154 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.12 -52.34 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.402 176.588 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.67 ' HB2' HG21 ' B' ' 432' ' ' VAL . 93.5 mt -58.2 -48.31 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.693 179.642 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.457 ' HG ' ' NE2' ' B' ' 413' ' ' HIS . 18.9 tp -61.63 -45.96 91.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.168 -179.414 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -56.2 -44.4 79.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.086 179.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 17.6 t -60.77 -54.73 41.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.265 -178.591 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.555 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -57.86 -31.91 67.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.862 0.363 . . . . 0.0 111.374 178.615 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.885 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 10.9 m-70 -69.45 -46.58 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.855 176.27 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -70.73 -52.93 17.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.84 -40.67 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 111.491 -175.24 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.483 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -74.17 -25.87 59.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.916 -177.548 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.15 -20.52 65.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 176.188 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.04 -3.78 70.03 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.251 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.51 -0.38 59.72 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.07 178.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 45.3 mt -97.5 116.42 39.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.411 ' HE3' ' NH2' ' A' ' 84' ' ' ARG . 25.5 pttm -138.45 153.1 48.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.292 0.568 . . . . 0.0 110.263 177.445 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.538 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.03 163.31 37.27 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.409 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.8 mp -63.68 -29.24 70.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.8 -178.004 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.8 t -65.42 -34.97 79.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 44.3 mmtt -73.35 -47.36 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 -177.228 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 32.6 mt-10 -61.78 -47.75 83.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.957 -175.199 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.72 -36.01 82.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 175.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.499 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 tpt180 -66.53 -39.99 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.474 179.036 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.39 -53.17 60.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.48 179.358 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.479 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -64.9 -34.09 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.88 0.372 . . . . 0.0 110.794 178.637 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.621 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 37.2 tt0 -67.83 -56.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.035 -175.174 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.67 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.2 p -64.41 -33.96 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.289 0.566 . . . . 0.0 110.013 -178.85 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.83 -51.38 67.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.805 177.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.694 ' HA ' HG23 ' B' ' 437' ' ' THR . 0.3 OUTLIER -70.85 -26.82 63.44 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.132 -175.314 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' B' ' 432' ' ' VAL . 33.6 mt -69.69 -47.11 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.242 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -58.53 -43.91 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.697 178.698 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.694 HG23 ' HA ' ' B' ' 434' ' ' ARG . 14.4 t -73.23 -30.23 63.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.656 0.265 . . . . 0.0 111.177 -177.007 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.535 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.15 -38.26 85.21 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 174.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.6 -34.34 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.289 175.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 35.2 mmtp -61.74 -41.48 97.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.276 0.56 . . . . 0.0 110.049 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.09 -42.43 84.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.376 178.806 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -58.67 -34.68 71.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.045 176.487 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.64 87.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.781 178.837 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' B' ' 444' ' ' ARG . 37.3 mtt180 -81.64 -1.94 48.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.687 178.714 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -85.97 -33.26 21.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.224 0.535 . . . . 0.0 109.752 174.625 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.831 -179.984 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.905 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.16 176.23 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.726 0.263 . . . . 0.0 110.573 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 p -75.59 -40.85 55.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.035 0.445 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -87.77 89.31 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.01 -176.785 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD21 ' HB2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER -138.07 60.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.82 0.819 . . . . 0.0 109.599 172.299 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.22 20.75 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.366 -174.682 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.0 tp -123.0 101.86 7.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.023 0.44 . . . . 0.0 109.858 177.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -112.99 133.88 54.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -171.268 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.746 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -96.88 125.32 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.501 0.191 . . . . 0.0 110.822 177.775 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.68 110.24 25.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.57 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -101.97 118.45 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.553 -178.017 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.688 ' HG2' HD13 ' A' ' 90' ' ' LEU . 86.4 mtp -89.94 122.92 33.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.694 178.763 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 92' ' ' VAL . 34.8 m -117.54 152.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 -176.723 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.15 167.67 40.67 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 14.8 t -58.92 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.9 0.35 . . . . 0.0 110.55 -177.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -122.26 24.46 6.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.033 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.473 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 65.57 44.29 93.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.764 -179.661 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.73 -64.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 33.51 2.68 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.268 -177.207 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.775 ' HG2' HG21 ' A' ' 92' ' ' VAL . 4.8 mtmp? -79.16 -21.98 45.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 110.604 -176.568 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 m -92.71 -17.88 23.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.21 -54.62 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.399 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' HB1' ' A' ' 159' ' ' ALA . 93.1 mt -64.82 -35.66 81.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -177.082 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.628 ' O ' ' HG3' ' A' ' 35' ' ' MET . 2.5 p -70.46 -37.14 74.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.382 -178.927 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HG ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -60.38 -43.96 96.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 109.928 176.934 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.643 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -62.6 -37.26 85.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.953 177.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 36.0 t80 -72.36 -12.43 61.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.021 -178.886 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 31' ' ' THR . 89.1 mtp -97.39 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.705 0.288 . . . . 0.0 111.699 -178.364 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.445 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 97.6 m-85 -118.88 2.5 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.684 -174.172 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 62.71 18.2 10.42 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.447 0.467 . . . . 0.0 111.722 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 12.0 pt-20 -106.14 155.78 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.549 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.643 ' HA ' HE22 ' A' ' 33' ' ' GLN . 54.0 t80 -80.03 148.33 31.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG23 ' HG ' ' A' ' 32' ' ' LEU . 33.5 t -69.94 108.09 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.175 -177.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.22 -65.84 0.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 172.578 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -148.94 110.03 4.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.807 0.813 . . . . 0.0 110.061 172.244 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -160.32 91.5 0.93 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.844 176.074 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.655 ' CD ' HNB3 ' A' ' 500' ' ' GNP . 3.7 mm-40 -90.39 -34.58 0.38 Allowed Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.074 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 75.1 Cg_exo -43.71 94.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.479 2.12 . . . . 0.0 113.925 177.575 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.414 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.4 p -154.72 22.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.271 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.08 -55.87 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.694 -175.221 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 26.91 6.73 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 171.299 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.01 93.79 4.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.984 -170.674 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -97.8 171.12 8.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -148.27 150.48 33.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.899 0.381 . . . . 0.0 110.629 177.32 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -95.2 105.97 17.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.125 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 58.8 tptt -101.41 123.9 46.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.113 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.606 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 1.1 tmmt? -107.57 120.36 41.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.008 178.218 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 m -127.64 143.8 39.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.908 -179.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.9 p -98.57 102.4 13.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.944 0.878 . . . . 0.0 109.967 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.87 99.74 11.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.029 -177.263 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 49.97 70.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.93 -51.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 114.277 172.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.08 135.43 37.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 117.531 0.665 . . . . 0.0 111.279 -173.375 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 45.1 mt-10 -82.69 108.13 15.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.706 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.99 151.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.666 -172.452 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -114.11 139.4 49.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.184 0.516 . . . . 0.0 110.116 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' HE2' ' A' ' 173' ' ' MET . 15.4 tt -128.75 130.01 68.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.67 -176.622 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 6.5 m-20 -87.73 117.46 26.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.379 178.598 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.26 121.8 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.323 177.336 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -121.3 103.91 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.776 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.414 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.6 t0 -85.11 91.33 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.289 -176.751 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 79' ' ' ARG . 34.9 p -60.02 153.04 22.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.568 -176.76 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.01 153.15 27.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.08 175.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.534 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -99.08 54.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.124 -178.76 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.565 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -160.11 152.22 20.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 110.847 179.408 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.65 -13.13 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.507 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -54.11 -64.14 0.92 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 110.264 175.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.5 m-85 -93.49 55.76 2.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.351 179.397 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -18.39 62.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.916 178.06 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.729 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -72.12 -7.42 48.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.381 176.802 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.407 HG12 ' CE1' ' B' ' 413' ' ' HIS . 78.4 mt -100.47 -41.86 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.225 0.536 . . . . 0.0 110.121 176.243 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.601 ' HA ' HG22 ' A' ' 69' ' ' THR . 34.0 ttp180 -91.58 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.785 -173.676 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.01 -42.85 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.517 -166.793 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.729 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -67.42 -42.33 83.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 111.836 -175.151 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' OH ' HD22 ' B' ' 409' ' ' LEU . 28.7 m-85 -62.53 -15.73 52.12 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.611 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.601 ' HB3' HG23 ' A' ' 114' ' ' VAL . 15.0 m-30 -59.01 -28.28 66.25 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.53 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' NH2' ' HA ' ' A' ' 81' ' ' ASN . 1.9 mpp_? -53.72 -52.26 60.69 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.281 0.363 . . . . 0.0 111.904 -175.207 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.532 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 15.0 m -93.84 21.52 6.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -178.528 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.88 143.13 17.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.603 -179.094 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.746 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 50.6 mm-40 -88.96 -75.63 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.27 157.19 15.18 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.325 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.54 132.21 48.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.049 0.452 . . . . 0.0 111.291 -174.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.688 HD13 ' HG2' ' A' ' 19' ' ' MET . 82.6 mt -99.88 105.7 17.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 178.239 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.7 106.67 12.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.225 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.843 HG13 ' HB ' ' A' ' 126' ' ' VAL . 32.8 m -107.21 134.3 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.226 0.536 . . . . 0.0 111.314 -177.77 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -143.81 150.53 38.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 97' ' ' GLU . 3.2 p -100.95 148.57 24.85 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.751 177.399 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.583 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.57 -7.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.584 -178.314 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.576 HG22 HD21 ' A' ' 132' ' ' LEU . 1.6 p -94.97 -45.96 7.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.068 175.551 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 2.1 mp0 -81.44 91.55 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.006 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -65.2 -30.51 71.42 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.458 -172.255 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.83 -19.38 63.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 111.081 -175.445 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.478 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.8 m -66.11 -30.26 70.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.946 0.403 . . . . 0.0 110.739 178.205 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.629 ' HZ ' ' HG3' ' A' ' 146' ' ' LYS . 69.2 t80 -74.44 -24.53 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.312 0.577 . . . . 0.0 110.431 -179.235 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -37.66 62.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.295 0.569 . . . . 0.0 109.59 176.264 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.39 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.229 -179.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.73 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 12.4 p -59.33 -28.48 66.86 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.045 0.45 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -48.64 68.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 178.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.8 -25.11 61.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.57 -179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.73 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-30 -55.82 -38.15 69.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.134 -177.726 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HD2' ' CD2' ' A' ' 150' ' ' TRP . 74.9 mtp180 -53.31 -59.1 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.394 178.201 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.99 -32.13 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.638 -177.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.69 -34.64 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.901 0.382 . . . . 0.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.9 mt -72.98 -39.94 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 177.096 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.54 -15.16 63.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -76.17 -32.3 58.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 176.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 83' ' ' PHE . 34.0 m -100.35 -28.1 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.356 -179.062 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.613 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 32.0 mtmt -129.38 110.58 12.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 177.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.67 1.65 1.18 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.44 173.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.01 23.23 6.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.011 0.434 . . . . 0.0 110.745 -177.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.613 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -109.39 -168.09 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.652 -177.794 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.5 m-20 -63.99 -72.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.854 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.916 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 56.9 mmtt -159.27 150.59 20.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.662 0.267 . . . . 0.0 110.512 -179.654 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.9 mt -114.4 101.85 54.45 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -176.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 132.77 4.69 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.998 2.465 . . . . 0.0 112.174 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.438 ' HB2' HG13 ' A' ' 152' ' ' VAL . 6.1 mp -127.5 150.42 49.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.33 178.742 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.68 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.4 tp -144.54 122.47 12.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.165 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.433 ' N ' HD11 ' A' ' 124' ' ' LEU . 10.8 t -90.15 118.87 36.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.229 0.537 . . . . 0.0 109.715 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.843 ' HB ' HG13 ' A' ' 92' ' ' VAL . 40.2 t -109.15 112.81 42.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.835 -174.903 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.78 115.25 4.31 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 175.598 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.3 173.6 6.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.044 0.422 . . . . 0.0 111.551 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.2 OUTLIER 74.14 26.56 1.65 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.884 178.224 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 m -72.52 36.22 0.07 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.294 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.9 t70 -103.47 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.303 0.573 . . . . 0.0 110.222 178.517 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.576 HD21 HG22 ' A' ' 96' ' ' THR . 0.5 OUTLIER -71.3 -50.61 30.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.227 -179.28 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 66.84 -72.43 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.375 0.67 . . . . 0.0 112.211 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.8 17.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.19 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.515 ' HB2' HD11 ' A' ' 132' ' ' LEU . 63.7 mtp180 -124.07 14.92 9.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.855 0.359 . . . . 0.0 110.344 176.642 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.583 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 20.8 ttm180 -67.4 113.14 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 0.0 110.145 -179.066 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -87.55 -33.64 18.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.064 -175.658 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.48 129.36 24.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -176.802 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 11.5 Cg_endo -56.37 110.43 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.676 2.251 . . . . 0.0 111.024 174.232 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.0 OUTLIER -73.09 -16.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.879 0.371 . . . . 0.0 111.026 -173.197 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -49.24 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 177.831 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -69.11 -26.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.337 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.09 88.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.415 175.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.3 mtp180 -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 174.608 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 t -61.69 -39.19 90.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.431 177.861 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.629 ' HG3' ' HZ ' ' A' ' 101' ' ' PHE . 45.0 mmtm -58.6 -53.13 61.77 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 176.287 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.12 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.707 -178.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.14 -39.88 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.55 -39.51 88.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.212 0.529 . . . . 0.0 110.553 178.465 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.442 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 40.3 m0 -71.98 -12.64 61.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 -179.681 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.56 30.17 41.23 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.938 -178.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.438 HG13 ' HB2' ' A' ' 123' ' ' LEU . 35.2 m -127.57 179.57 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 121.078 0.466 . . . . 0.0 111.294 -177.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.68 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -106.16 151.89 24.16 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.818 176.632 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -120.28 127.03 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.861 174.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -126.94 134.97 64.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -178.504 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.57 124.07 31.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.783 174.105 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.0 p -126.72 136.26 52.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.373 0.606 . . . . 0.0 111.961 -175.011 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m -123.83 105.38 9.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.194 176.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.421 ' HB1' HD22 ' A' ' 30' ' ' LEU . . . -79.48 -3.71 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.237 0.541 . . . . 0.0 110.291 179.552 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -77.89 -44.31 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.833 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.0 t -107.17 7.65 29.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 59.41 57.75 3.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.103 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.43 125.56 49.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.359 -177.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 70.37 15.09 7.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.1 0.875 . . . . 0.0 112.036 175.332 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.404 HG13 ' HB2' ' A' ' 33' ' ' GLN . 56.5 t -67.23 -45.81 85.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.942 0.401 . . . . 0.0 110.255 178.738 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.56 -43.54 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.594 -179.486 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -46.96 -56.48 6.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.289 -177.178 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.58 -32.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -172.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -75.23 -51.36 13.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.348 179.756 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.519 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 44.1 m-85 -69.58 -37.49 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.673 -175.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.79 -45.48 92.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.517 -177.598 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.94 -42.55 66.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.454 -178.519 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 17.7 ptp -64.29 -28.78 69.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.723 -176.748 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -59.1 -51.13 71.36 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.535 177.331 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.62 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.2 mm-40 -54.03 -37.32 63.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.421 178.773 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 173' ' ' MET . 67.0 mt -56.28 -29.44 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.447 -177.677 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -66.74 -53.4 33.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.9 m -64.79 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.828 -176.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.916 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 11.3 mptt -59.23 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.66 177.576 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' A' ' 87' ' ' GLU . 66.8 mttm -75.17 -32.67 61.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.883 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.457 ' C ' ' HG ' ' A' ' 182' ' ' SER . 67.5 mtt -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.457 ' HG ' ' C ' ' A' ' 181' ' ' MET . 77.0 p 54.02 -95.7 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 112.906 176.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -121.33 107.3 12.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.387 . . . . 0.0 110.968 -175.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.495 ' C ' HD21 ' A' ' 184' ' ' ASN . 0.3 OUTLIER -163.99 23.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.123 177.394 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 15.2 pttp . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.61 -177.394 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.904 -0.479 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.2 p -75.66 -13.23 60.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.739 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.22 -46.72 82.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 109.137 176.287 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.698 ' O ' HG12 ' B' ' 398' ' ' ILE . 34.3 m -68.88 -49.9 54.28 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.639 179.098 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.28 -38.87 69.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.037 0.446 . . . . 0.0 110.62 -178.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.14 -52.79 64.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.687 175.743 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.45 91.86 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.698 HG12 ' O ' ' B' ' 394' ' ' THR . 45.6 mm -58.27 -49.72 80.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 178.14 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -59.33 -38.85 81.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.196 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.87 -39.64 83.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.928 178.03 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.6 mt-10 -65.62 -43.37 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.853 176.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.628 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.4 mt -55.72 -53.14 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.303 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -54.84 -41.22 70.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 178.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.566 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 71.0 ttt180 -59.88 -52.03 67.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.707 178.163 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.1 mm-40 -70.54 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.73 -176.082 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' B' ' 436' ' ' LEU . 44.0 mt-10 -60.12 -47.96 83.73 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.67 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.77 -42.53 85.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 96.0 mt -58.74 -47.91 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 110.452 178.32 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.638 HD23 HG11 ' B' ' 432' ' ' VAL . 3.2 tm? -72.41 -36.89 68.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.446 -179.037 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 177.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 26.6 t -59.71 -49.65 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.042 178.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 70.3 mt -58.51 -40.52 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 110.539 176.097 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.407 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.1 m170 -62.79 -45.54 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.777 -179.497 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -76.94 -30.12 55.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.17 -53.47 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.24 0.543 . . . . 0.0 110.984 178.443 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.577 HD13 HD11 ' B' ' 429' ' ' LEU . 70.3 mt -68.5 -25.95 65.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.624 -176.142 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.97 -17.0 62.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.639 179.336 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.17 12.47 62.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.115 178.291 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.52 -31.72 7.78 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 50.4 mt -58.19 137.6 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.824 0.45 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.464 ' HA ' HD21 ' B' ' 416' ' ' LEU . 8.8 ptpp? -159.98 149.62 18.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.278 0.561 . . . . 0.0 111.161 174.431 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.7 t70 -150.41 159.15 44.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.035 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -64.1 -29.26 70.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.245 -179.834 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.7 m -64.78 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.178 0.513 . . . . 0.0 110.269 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 31.6 mmtt -69.37 -53.32 20.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.094 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.66 -46.3 84.43 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.188 -174.463 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.91 -41.22 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.908 -178.307 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.486 ' O ' HG12 ' B' ' 432' ' ' VAL . 26.0 tpt180 -70.7 -31.63 68.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.35 -179.386 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.577 HD11 HD13 ' B' ' 416' ' ' LEU . 14.4 mt -55.81 -56.41 20.91 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.053 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.614 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 53.8 m95 -61.43 -41.79 97.74 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.43 0.456 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 28.2 mm-40 -64.22 -56.44 14.62 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.638 HG11 HD23 ' B' ' 409' ' ' LEU . 14.8 p -62.1 -34.29 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.271 0.558 . . . . 0.0 109.945 -178.685 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -57.31 -53.37 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.042 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.753 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.94 -26.68 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.023 -178.426 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.551 HD11 ' HA ' ' B' ' 432' ' ' VAL . 67.0 mt -65.91 -45.93 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' B' ' 406' ' ' GLU . 26.6 tp -58.1 -42.67 86.19 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 175.752 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.753 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -73.56 -31.14 63.47 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.517 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.84 -36.45 83.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 173.327 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.956 HD11 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -63.23 -38.29 90.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.946 176.019 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.92 -34.06 76.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.027 177.089 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.97 -46.45 81.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.956 ' HD3' HD11 ' B' ' 439' ' ' LEU . 48.2 mtpt -59.06 -36.11 74.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 178.156 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.54 ' HB2' HD12 ' B' ' 402' ' ' ILE . 2.3 tm? -66.26 -41.69 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.458 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -82.08 -5.18 58.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.111 0.481 . . . . 0.0 110.568 178.505 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.49 -34.72 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.179 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.798 -178.08 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.655 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -84.29 -40.28 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.969 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -164.87 -72.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.069 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -144.83 66.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt -124.44 -19.09 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.329 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.55 10.91 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.567 0.699 . . . . 0.0 110.532 177.863 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -139.14 129.91 26.14 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.013 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -129.31 152.45 48.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.905 0.383 . . . . 0.0 111.05 -175.598 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -122.02 109.01 14.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.3 177.639 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.55 119.24 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.143 179.899 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.455 HG21 ' HE1' ' A' ' 83' ' ' PHE . 62.5 mt -115.02 131.62 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.44 ' HE1' ' HB2' ' A' ' 30' ' ' LEU . 47.3 mtt -92.66 117.38 29.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.082 0.468 . . . . 0.0 110.107 175.105 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.95 133.25 40.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.776 -178.728 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.07 157.4 29.62 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 p -72.98 -82.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.174 -176.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.74 -74.26 1.25 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.69 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.49 66.11 0.32 Allowed Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.668 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 93' ' ' PHE . 2.5 t -83.41 49.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.217 0.532 . . . . 0.0 110.456 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.13 15.76 74.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.632 179.482 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' HG22 ' A' ' 92' ' ' VAL . 59.4 pttt -76.06 15.02 0.6 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.681 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -130.28 -14.23 3.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.799 173.06 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' HB2' H5'1 ' A' ' 500' ' ' GNP . . . -72.83 -55.49 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.662 -174.169 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 8.5 mp -68.02 -36.63 80.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.401 -174.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -64.7 -40.85 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.716 179.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 40' ' ' VAL . 22.4 tp -64.78 -42.45 95.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 86.2 mt-30 -65.39 -35.94 82.46 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 177.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.19 -39.11 68.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 179.029 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.502 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 60.2 mtm -83.15 -50.74 8.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.106 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 80.8 m-85 -105.54 -3.05 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 21.8 t70 74.91 -15.31 0.66 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.113 0.565 . . . . 0.0 111.976 178.239 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.13 154.07 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.513 . . . . 0.0 111.26 -172.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HD1' ' NE2' ' A' ' 33' ' ' GLN . 83.8 t80 -77.5 152.51 34.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.825 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HA ' HD21 ' A' ' 32' ' ' LEU . 33.4 t -59.08 99.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.242 0.544 . . . . 0.0 111.43 -177.365 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -90.48 -47.77 7.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -169.3 120.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.576 175.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -134.14 101.61 5.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 41.9 tt0 -78.03 -56.24 1.08 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.708 -177.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 15.7 Cg_endo -56.93 118.92 5.86 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.106 1.871 . . . . 0.0 111.626 179.293 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -165.2 0.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.524 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HE3' HD21 ' A' ' 72' ' ' LEU . 38.7 mmtm -84.88 -59.65 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.5 176.415 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.25 -5.88 6.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.31 0.576 . . . . 0.0 110.694 172.559 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -91.36 87.36 6.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.47 -173.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -101.58 -171.77 2.04 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 173.493 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.447 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 78.2 t80 -132.59 137.95 47.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.992 0.425 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.534 HH21 ' HB2' ' B' ' 434' ' ' ARG . 29.8 ttm180 -88.97 119.89 29.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 58.6 tptt -97.87 133.63 42.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.781 -176.56 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -100.25 126.54 46.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 175.271 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.89 178.27 5.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.7 p -140.88 103.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.524 0.678 . . . . 0.0 109.462 172.402 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' H ' HG21 ' A' ' 62' ' ' VAL . 34.5 tp -88.5 97.27 10.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.109 -173.444 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 42.79 63.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 124.342 1.026 . . . . 0.0 112.24 177.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.94 -89.61 0.2 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.344 -1.408 . . . . 0.0 114.418 177.336 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' C ' HG23 ' A' ' 56' ' ' VAL . 15.3 pt-20 -101.13 154.8 18.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.618 0.247 . . . . 0.0 110.519 -172.467 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -69.44 128.3 36.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.282 0.563 . . . . 0.0 110.41 -179.407 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG21 ' H ' ' A' ' 57' ' ' LEU . 2.2 t -112.5 143.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.794 -174.807 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 11.4 mm100 -112.15 119.14 37.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.864 -177.432 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -109.12 116.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.38 0.609 . . . . 0.0 109.659 177.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 26.1 t0 -95.4 120.66 36.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.149 -176.734 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.27 143.49 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.014 0.435 . . . . 0.0 111.331 -171.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.521 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 59.6 tp -122.85 112.99 18.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.306 172.776 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -91.04 115.73 28.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -86.48 134.2 33.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 111.776 -173.568 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 150.66 25.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.671 176.283 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.74 51.99 4.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.888 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.579 HD21 ' HE3' ' A' ' 47' ' ' LYS . 1.5 pp -158.41 169.08 25.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -177.476 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -102.81 -13.7 16.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.963 175.343 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' HD11 ' A' ' 72' ' ' LEU . 2.0 m-20 -44.01 -70.2 0.11 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.146 -0.934 . . . . 0.0 113.431 -176.026 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.0 m-85 -61.24 -20.12 62.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.698 -170.608 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.21 -65.91 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.873 1.358 . . . . 0.0 112.689 176.595 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.959 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.57 -31.34 24.21 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.264 1.026 . . . . 0.0 112.351 -176.673 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.595 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 50.9 mt -67.18 -32.99 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.973 0.416 . . . . 0.0 110.209 178.818 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -94.61 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.433 178.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -46.68 21.69 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -170.199 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.959 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 27.6 m-80 -71.89 -22.63 61.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -172.619 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -82.13 -30.97 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.633 ' HB2' HG22 ' A' ' 114' ' ' VAL . 17.8 m-30 -65.57 -15.39 62.67 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -172.799 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -53.47 -53.56 49.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.726 0.298 . . . . 0.0 111.393 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -94.26 43.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.649 0.738 . . . . 0.0 109.761 176.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.59 157.61 21.34 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.118 178.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -121.02 -81.42 0.64 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.14 146.04 16.07 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 -179.34 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.82 135.68 51.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.345 -176.715 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 124' ' ' LEU . 90.7 mt -102.1 117.12 34.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.807 175.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD22 HD22 ' A' ' 123' ' ' LEU . 64.5 mt -86.79 106.76 17.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.849 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 27' ' ' LYS . 26.9 m -102.13 121.89 53.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.187 0.518 . . . . 0.0 111.334 -176.521 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.744 ' HA ' HG12 ' A' ' 25' ' ' VAL . 10.4 p90 -143.33 151.28 40.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.839 176.165 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 t -110.82 145.02 38.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.178 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.66 11.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 135' ' ' ARG . 18.1 p -104.91 -23.44 12.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 173.179 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -96.79 107.13 19.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.2 -176.001 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -67.08 -27.78 67.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.06 -50.51 68.95 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.138 174.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.42 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 22.0 m -64.35 -36.18 83.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.384 -176.791 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.2 -49.36 72.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.719 0.295 . . . . 0.0 110.599 -179.319 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -69.28 -27.85 65.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.243 0.544 . . . . 0.0 110.684 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.23 -15.38 61.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.358 -178.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -55.28 -48.83 73.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.58 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.391 176.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -43.05 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.0 m-85 -58.13 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.289 176.517 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.994 -178.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -36.16 82.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.589 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.3 mt -65.93 -47.34 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.583 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.41 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.7 mp -69.78 -12.95 62.03 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -76.23 -32.96 59.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.676 0.274 . . . . 0.0 110.309 177.342 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 83' ' ' PHE . 29.2 m -107.94 -26.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.725 -178.738 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.876 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 9.4 mtmt -118.9 106.63 12.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 178.159 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.57 22.91 0.23 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.4 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.92 10.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.274 -169.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.876 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.27 -78.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.615 -175.159 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.476 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 38.6 t70 -155.99 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.548 179.026 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -134.27 154.41 51.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.676 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 115' ' ' LYS . 42.3 mt -127.88 98.99 26.45 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.83 0.348 . . . . 0.0 110.734 -175.457 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.43 123.76 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.517 2.811 . . . . 0.0 112.5 178.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.613 HD22 HD22 ' A' ' 91' ' ' LEU . 6.6 mp -116.98 135.57 53.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.204 177.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -117.63 121.41 40.83 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.283 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 91' ' ' LEU . 16.5 t -81.87 120.38 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.222 -178.543 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.35 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.632 -176.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.77 101.29 2.03 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 179.386 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.17 129.97 35.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.011 0.434 . . . . 0.0 111.353 -176.357 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.706 ' HG3' ' C6 ' ' A' ' 500' ' ' GNP . 31.9 mtpt 69.85 50.56 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.396 174.499 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -63.72 -12.13 31.97 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 167.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -53.85 -22.61 10.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.13 170.536 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.421 ' HB2' HD13 ' A' ' 95' ' ' ILE . 36.3 mt -92.05 87.25 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 177.254 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 -37.8 13.03 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.287 0.565 . . . . 0.0 110.046 176.044 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.719 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.5 pt-20 -82.3 -18.04 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.119 -175.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.719 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 81.6 mtp180 -111.59 8.52 20.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 -174.834 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -58.66 114.23 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.768 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.51 -41.42 13.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.6 p -108.38 126.01 30.59 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.074 -177.16 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.83 119.39 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.557 2.172 . . . . 0.0 111.017 175.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -71.29 -16.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.078 -174.039 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.25 -49.73 73.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.638 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.85 -11.37 59.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 110.915 -178.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -83.8 -45.86 12.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.425 176.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 23.5 mtm180 -58.96 -38.58 79.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.138 0.494 . . . . 0.0 110.441 174.509 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -57.98 -28.11 64.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.952 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -67.22 -48.55 67.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.74 88.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.451 176.886 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.33 -45.78 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.006 176.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.76 -41.69 91.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.308 179.493 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -85.83 -0.86 56.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.456 -174.327 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.71 38.01 61.26 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.776 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.8 -171.18 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.623 0.249 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -110.75 160.66 16.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.029 0.442 . . . . 0.0 111.211 179.429 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.472 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 37.6 t80 -125.7 123.24 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.68 175.776 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.93 125.41 73.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.566 -178.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.79 127.4 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.8 p -124.85 142.72 51.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.852 -176.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 m -135.82 108.21 7.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.221 176.671 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.14 60.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 178.477 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' HE3' ' N2 ' ' A' ' 500' ' ' GNP . 5.2 tppp? -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.564 177.082 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 7.9 p -127.75 3.54 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.146 -178.364 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 56.21 39.28 30.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.226 -177.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.44 131.3 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.335 -176.257 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 70.23 6.48 5.8 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.078 0.861 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.5 -33.35 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.19 0.519 . . . . 0.0 110.051 178.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.51 -47.66 82.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.831 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.26 -52.11 67.06 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.157 -170.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 23.8 m -53.26 -35.51 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -76.28 -54.06 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.706 0.289 . . . . 0.0 111.589 178.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.16 -38.24 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.751 -175.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.56 -48.85 75.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.222 -177.638 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.02 -34.53 78.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 56.4 mtm -64.05 -31.03 72.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.284 178.136 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -67.06 -46.55 73.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.563 175.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.543 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.5 mm-40 -52.36 -42.54 64.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.702 176.096 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.5 -40.38 58.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -71.29 -40.99 70.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 -177.699 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.9 m -59.78 -42.01 92.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.511 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.6 mptt -63.94 -49.93 70.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.824 177.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -60.26 -35.85 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.033 -178.085 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 73.4 mtm -85.69 -2.66 58.42 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.201 -178.592 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 20.7 m 62.17 19.65 11.08 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.773 177.005 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.29 99.38 4.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.673 0.749 . . . . 0.0 110.361 -177.409 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.42 13.79 25.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.789 -178.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.635 -178.776 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.9 p -129.84 31.35 4.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.032 0.444 . . . . 0.0 110.493 -176.782 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -57.12 -26.31 60.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.052 -175.518 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 70.8 m -111.34 -35.32 5.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.359 0.6 . . . . 0.0 110.532 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.05 -27.75 69.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.944 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.0 -56.17 25.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.529 -178.869 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.08 -36.34 92.78 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.235 -179.325 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.627 ' O ' HG13 ' B' ' 402' ' ' ILE . 35.2 mm -56.23 -54.88 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.027 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.54 -42.59 88.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.695 -177.009 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.69 -45.58 89.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.081 0.467 . . . . 0.0 111.038 -179.183 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 16.2 mt-10 -79.7 -24.8 41.46 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.49 -176.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.711 HG12 ' HG ' ' B' ' 439' ' ' LEU . 63.2 mt -59.15 -52.85 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.894 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.08 -29.46 69.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -62.86 -46.22 88.89 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.651 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' B' ' 436' ' ' LEU . 33.1 mm-40 -72.92 -41.56 64.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -178.388 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.73 -36.47 78.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.518 177.914 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -62.26 -50.2 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.206 174.147 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.536 ' O ' HD21 ' B' ' 412' ' ' LEU . 73.6 mt -57.01 -48.41 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.678 HD13 HG11 ' B' ' 432' ' ' VAL . 16.2 tp -65.08 -44.61 88.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.448 -178.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.21 -42.69 77.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.784 177.642 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 36.9 m -59.23 -53.77 54.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.536 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -58.33 -43.12 88.1 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.49 177.029 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.439 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 6.7 m-70 -59.04 -47.3 85.73 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.5 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 57.4 mtt180 -76.88 -43.83 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.186 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -47.42 82.07 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.485 0.659 . . . . 0.0 111.452 -175.546 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' B' ' 425' ' ' LYS . 5.6 mp -64.58 -24.87 67.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.842 -171.067 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.5 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 52.4 mt-30 -56.28 -27.03 53.97 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.686 0.279 . . . . 0.0 111.19 179.12 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.65 -8.91 82.15 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.229 -176.485 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.69 -3.66 49.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.337 179.228 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.25 117.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' B' ' 425' ' ' LYS . 24.5 pttm -135.25 145.11 47.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.756 0.789 . . . . 0.0 112.083 -176.698 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.558 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.1 t70 -149.09 166.4 28.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.383 -1.281 . . . . 0.0 107.755 178.401 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.03 -30.96 70.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.498 0.666 . . . . 0.0 109.319 174.858 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.4 m -63.69 -44.89 92.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.269 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.639 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -66.76 -38.31 86.34 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -170.602 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.639 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.7 pt-20 -73.37 -40.81 64.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.244 -178.655 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 24.6 mm-40 -66.52 -48.14 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.203 175.735 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.55 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.0 mmt180 -60.62 -37.61 82.02 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.754 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' B' ' 429' ' ' LEU . 2.3 mt -55.63 -53.95 50.17 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.481 0.488 . . . . 0.0 110.503 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.623 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 63.5 m95 -66.59 -38.22 86.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.76 -178.421 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.55 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 51.4 mt-10 -58.64 -56.66 19.3 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.949 -178.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.678 HG11 HD13 ' B' ' 409' ' ' LEU . 7.4 p -66.35 -32.37 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.227 0.536 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -55.57 -56.53 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 176.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.623 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.09 -26.72 63.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.39 -176.421 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.7 mt -64.55 -50.91 73.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.004 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.617 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.5 tm? -58.77 -46.06 88.37 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.288 -176.623 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.548 HG23 ' HA ' ' B' ' 434' ' ' ARG . 1.8 t -62.37 -45.41 93.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.273 -177.309 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.03 -38.39 88.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.201 0.524 . . . . 0.0 109.845 177.363 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.711 ' HG ' HG12 ' B' ' 402' ' ' ILE . 35.2 tp -66.98 -38.1 85.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.786 -178.581 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 9.5 mmmm -64.85 -37.71 88.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.002 0.429 . . . . 0.0 110.121 176.752 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.739 175.585 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.56 -31.2 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.152 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.641 ' HB2' HD13 ' B' ' 402' ' ' ILE . 61.8 tp -65.07 -48.36 74.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.261 175.452 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -5.51 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.346 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -100.93 -9.71 21.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.179 177.46 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.706 ' C6 ' ' HG3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.95 93.13 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.9 m 63.41 -174.23 0.16 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.333 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -96.97 101.61 13.23 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.126 0.488 . . . . 0.0 109.937 177.411 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt -109.19 5.77 24.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.3 -178.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -91.15 13.25 17.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.35 -178.181 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -130.01 124.59 33.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.566 178.091 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 46.0 m-70 -128.92 136.0 49.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.587 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 1.05 ' HE2' ' HB2' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -119.24 114.17 22.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.901 0.382 . . . . 0.0 110.583 179.697 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.36 127.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.897 -177.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.28 124.91 68.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.812 177.223 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 ttm -91.49 114.33 26.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.817 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -109.19 162.67 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.076 0.465 . . . . 0.0 111.591 -175.69 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.9 -155.45 26.73 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -83.28 -155.36 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -53.74 -59.76 9.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 177.373 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.59 -78.28 0.22 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.102 -1.046 . . . . 0.0 112.831 179.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t 72.86 -54.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.641 0.776 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 155.72 26.58 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.215 -179.113 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 28' ' ' SER . 18.8 ptpt -71.99 -54.33 10.27 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.298 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 25.6 m -64.98 -23.48 67.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.724 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.65 -39.04 70.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.809 178.428 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 128' ' ' ASN . 96.7 mt -63.12 -44.66 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -177.443 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -69.88 -34.49 73.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.016 -178.425 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.9 tm? -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.721 176.481 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.773 HE22 ' HA ' ' A' ' 39' ' ' PHE . 83.5 mm-40 -57.62 -39.2 76.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.736 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -72.08 -7.87 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.633 -175.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.651 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 62.0 mtm -118.42 -4.58 10.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.886 -0.509 . . . . 0.0 112.009 -178.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 46.2 m-85 -138.43 -37.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.468 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 21.4 t0 70.99 16.06 6.54 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.442 1.115 . . . . 0.0 109.156 -170.684 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -122.26 151.18 41.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.423 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.773 ' HA ' HE22 ' A' ' 33' ' ' GLN . 53.9 t80 -80.25 126.6 31.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.422 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.675 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -61.75 124.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -175.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -102.49 -30.27 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.47 178.119 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.43 100.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -167.19 102.07 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.481 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.731 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 mm-40 -110.55 -46.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.835 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.731 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 6.1 Cg_endo -48.38 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.707 2.271 . . . . 0.0 113.186 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.1 p -151.2 11.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 179.076 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -73.3 -40.79 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.35 0.595 . . . . 0.0 109.756 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 -21.24 5.16 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.1 176.1 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -77.37 104.3 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.533 . . . . 0.0 111.022 -178.636 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB2' HE22 ' B' ' 433' ' ' GLN . 7.8 m -101.78 165.74 11.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.282 176.78 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HH ' ' HB2' ' A' ' 68' ' ' ASP . 0.1 OUTLIER -129.24 127.3 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 0.0 112.087 -174.03 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -81.31 110.78 17.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.711 178.3 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 45.3 tptt -104.5 125.46 50.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.48 179.291 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -107.55 125.61 51.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.735 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -133.5 150.38 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.47 117.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 171.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.95 96.89 6.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.472 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 41.54 77.93 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.445 1.091 . . . . 0.0 111.552 -176.549 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.65 -111.16 0.52 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.789 -1.196 . . . . 0.0 114.472 178.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.34 160.67 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.298 -169.274 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.69 112.32 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.059 178.66 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.521 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.9 t -107.6 151.5 9.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.197 -174.805 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -113.64 141.43 47.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.215 0.531 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 9.2 tt -150.61 114.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.229 175.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 1.05 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 5.3 m-20 -88.85 134.99 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.41 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.494 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 43.7 mm -107.31 130.57 59.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.945 0.402 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.434 HD22 ' CD2' ' A' ' 82' ' ' TYR . 34.5 tp -109.92 123.99 50.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.561 ' HB2' ' HH ' ' A' ' 51' ' ' TYR . 33.9 t70 -97.41 135.6 39.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.25 178.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.8 p -101.49 138.16 38.85 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.97 133.84 35.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 174.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.729 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -95.4 70.03 1.04 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.091 -178.27 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -147.51 167.01 25.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -176.689 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -91.85 -6.91 50.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.711 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.462 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -58.71 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.625 -178.388 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.524 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 7.6 m-85 -115.28 92.42 3.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.965 -175.197 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.615 0.721 . . . . 0.0 109.527 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.744 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.46 -6.84 46.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.533 177.615 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.6 mt -97.82 -37.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 0.0 110.119 175.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -91.84 -66.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.997 0.427 . . . . 0.0 111.264 -178.689 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.14 -49.96 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.951 -170.928 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.744 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 56.2 m-80 -69.33 -17.4 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.381 -172.664 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.435 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 2.1 m-85 -92.1 -11.74 34.89 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.643 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 114' ' ' VAL . 8.0 m-30 -77.97 5.73 9.22 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.505 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' HG2' ' OE1' ' B' ' 426' ' ' GLU . 2.0 mpt_? -87.96 -76.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.276 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.566 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.0 m -79.33 44.11 0.58 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.234 0.54 . . . . 0.0 112.036 -176.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.15 18.59 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.469 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.5 mt-10 -119.83 -62.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.158 0.479 . . . . 0.0 111.034 -176.676 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.34 127.26 7.84 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.022 -176.35 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -128.54 131.96 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 111.105 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.3 mt -104.66 122.46 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.198 177.144 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 mt -93.37 107.69 19.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.631 HG13 ' HB ' ' A' ' 126' ' ' VAL . 30.7 m -108.44 129.62 62.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.398 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -138.66 166.1 25.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.771 176.002 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 p -103.11 138.97 39.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.368 -179.028 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.515 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.59 9.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 111.499 -177.951 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.581 HG23 HD13 ' A' ' 132' ' ' LEU . 12.1 p -115.7 -11.2 11.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.713 0.292 . . . . 0.0 111.57 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -113.27 112.24 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.441 . . . . 0.0 110.425 -179.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -74.63 -20.71 59.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.24 -52.21 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.274 175.409 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.6 p -70.38 -28.79 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.35 -50.02 75.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.486 176.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -68.26 -34.33 76.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.294 0.569 . . . . 0.0 110.814 178.333 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.24 -20.25 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.4 -176.378 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 60.1 p -55.21 -36.49 66.02 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.056 0.455 . . . . 0.0 111.437 -179.239 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.46 72.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.55 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.5 -34.84 79.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.21 -177.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -56.95 -42.12 79.53 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 176.951 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -68.31 -48.31 65.25 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.041 174.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.15 -39.49 66.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.922 -175.055 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -34.51 76.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.92 0.39 . . . . 0.0 110.216 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.06 -41.52 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 177.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.66 -27.46 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 176.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -66.74 -37.65 85.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.623 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.573 HG22 ' HB3' ' A' ' 83' ' ' PHE . 17.7 m -92.08 -12.08 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.545 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HG3' HG23 ' A' ' 114' ' ' VAL . 60.1 mttm -122.56 -115.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.739 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.36 -45.85 0.42 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.13 0.972 . . . . 0.0 112.747 -178.158 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.39 15.99 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 0.0 111.326 -178.6 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -108.07 -149.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 21.6 t0 -91.12 -80.03 0.35 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.289 -172.296 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.495 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.7 mptt -139.32 144.13 38.15 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 122.055 -0.403 . . . . 0.0 110.947 -179.202 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.4 mt -112.94 92.33 20.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 176.749 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.619 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 27.4 Cg_exo -61.79 104.98 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 178.817 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mt -105.23 144.05 32.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 125' ' ' VAL . 6.0 tp -147.51 121.61 9.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.705 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.5 t -89.85 115.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.282 -176.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.631 ' HB ' HG13 ' A' ' 92' ' ' VAL . 56.1 t -112.36 114.42 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.173 -177.603 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.53 117.13 4.41 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 177.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.5 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 8.2 p30 -107.95 170.55 7.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.048 0.424 . . . . 0.0 110.451 -179.35 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.512 ' HD2' ' N2 ' ' A' ' 500' ' ' GNP . 14.0 mmmm 67.51 16.66 9.97 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.919 0.762 . . . . 0.0 110.719 -177.378 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.9 m -67.54 -6.28 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 111.15 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -3.54 32.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.029 174.876 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.581 HD13 HG23 ' A' ' 96' ' ' THR . 64.0 mt -71.69 -48.33 48.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.692 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 64.74 -75.69 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.682 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.42 -31.05 65.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.218 -173.787 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.571 ' O ' HG22 ' A' ' 96' ' ' THR . 64.4 mtt180 -82.29 1.65 35.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.852 -177.05 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.8 ttm105 -52.8 113.35 1.06 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.107 0.48 . . . . 0.0 110.187 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -91.65 -29.44 16.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.832 -174.514 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 95' ' ' ILE . 7.8 p -106.75 124.28 35.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.439 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 116.84 3.33 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.537 2.158 . . . . 0.0 110.554 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.692 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.51 -16.31 13.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.546 -169.635 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.509 ' OE1' ' HD3' ' A' ' 144' ' ' ARG . 5.5 tp10 -61.62 -47.48 85.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.384 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.29 -21.21 61.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 110.507 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.56 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.631 173.404 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 41.2 mtp180 -67.46 -34.28 76.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.634 175.414 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.0 t -60.76 -34.62 74.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.631 178.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.4 mmtt -65.01 -33.1 75.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.166 178.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -60.76 -41.73 96.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.888 0.375 . . . . 0.0 110.238 175.716 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.08 -36.06 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.965 178.831 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.23 -40.65 94.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.856 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -91.58 -11.55 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.193 -176.08 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.92 35.37 18.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 178.818 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.61 -175.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -105.66 155.42 19.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.198 175.688 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.479 ' HB2' ' HB1' ' A' ' 147' ' ' ALA . 91.3 t80 -123.14 128.56 50.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.769 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.14 129.59 50.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.191 -178.653 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.91 135.8 33.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.988 0.423 . . . . 0.0 110.056 176.34 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.712 ' HB ' HG22 ' A' ' 165' ' ' VAL . 43.6 p -124.85 129.56 50.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.207 -176.292 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.9 m -91.68 115.78 28.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.518 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.852 ' HB3' HN21 ' A' ' 500' ' ' GNP . . . -90.93 -24.65 20.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.149 -173.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -74.98 -21.91 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.0 p -123.4 -5.46 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 -176.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? 61.21 87.13 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 -178.652 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 165' ' ' VAL . . . -143.41 130.97 21.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.877 178.443 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 73.06 -15.14 0.55 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.813 0.845 . . . . 0.0 112.289 176.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.712 HG22 ' HB ' ' A' ' 157' ' ' THR . 25.6 t -59.81 -39.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.562 . . . . 0.0 110.78 -178.06 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 -38.02 85.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.33 -175.786 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.507 ' HG2' ' OD2' ' A' ' 171' ' ' ASP . 20.0 ttpp -65.49 -48.61 71.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.845 -169.735 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.84 -31.27 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.555 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.489 ' O ' ' HG3' ' A' ' 173' ' ' MET . 80.0 m-85 -67.92 -43.64 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 173' ' ' MET . 66.6 m-85 -69.78 -46.27 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.092 -178.418 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.507 ' OD2' ' HG2' ' A' ' 167' ' ' LYS . 46.0 m-20 -57.44 -46.39 83.63 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.314 0.383 . . . . 0.0 111.522 -178.117 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.481 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.7 tp -60.66 -30.86 70.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 19.9 mtt -62.39 -31.1 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -179.324 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER -71.71 -44.82 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.486 179.321 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 10.4 mm-40 -55.15 -50.96 67.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.292 -0.163 . . . . 0.0 111.432 173.856 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 172' ' ' LEU . 69.7 mt -56.14 -48.13 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 17.3 ptp180 -65.93 -29.12 69.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.654 -177.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.1 m -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.597 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 64.0 mmtt -68.38 -35.79 78.21 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.324 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 23.0 mmmt -66.98 -31.96 72.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -179.837 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.6 mtt -71.05 -34.39 71.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 176.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 56.2 m 66.56 169.67 0.24 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.084 176.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.97 86.69 7.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 109.471 179.614 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.94 13.91 32.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.262 -178.132 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.657 -175.215 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 17.5 p -156.67 28.97 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.965 0.412 . . . . 0.0 110.122 -179.481 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 2.4 mp0 -46.84 -52.5 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.757 -178.827 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 13.9 m -89.02 -34.07 16.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.589 -178.512 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.51 -28.93 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.499 -177.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.98 -56.05 18.94 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.222 0.326 . . . . 0.0 111.656 -177.682 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.2 97.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.194 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.551 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.1 mm -58.89 -50.56 79.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.805 179.376 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.26 -33.53 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.73 -176.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.4 mt-10 -62.52 -43.68 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 177.339 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.84 -32.36 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.105 179.088 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.578 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.3 mt -60.13 -47.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.852 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.66 -39.75 68.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 175.68 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.542 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 12.8 ttp180 -61.99 -47.49 84.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.049 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -73.76 -34.71 64.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.672 -177.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 60.0 mt-10 -61.44 -44.13 97.66 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.39 -51.68 67.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.859 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.0 mt -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.096 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.556 HD11 HG12 ' B' ' 432' ' ' VAL . 65.2 tp -71.85 -32.77 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.375 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -66.99 -41.34 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.147 0.499 . . . . 0.0 109.862 175.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.8 t -60.03 -53.45 57.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -55.99 -44.74 78.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 174.614 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.405 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 7.3 m-70 -61.37 -46.82 88.61 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -177.104 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -76.54 -36.23 57.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.582 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.13 -40.64 86.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -173.233 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 90.0 mt -63.38 -33.9 76.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -170.038 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.524 ' NE2' ' HA ' ' A' ' 75' ' ' TYR . 1.5 mp0 -64.92 -15.79 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.867 -179.362 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.12 -4.48 63.39 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.655 -178.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.73 35.68 5.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.214 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 74.6 mt -119.46 138.15 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.057 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -145.77 143.68 29.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.633 0.73 . . . . 0.0 111.854 178.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.673 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.9 t70 -149.4 159.48 44.25 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 169.806 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.33 -29.56 70.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.918 0.866 . . . . 0.0 109.108 175.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.2 m -65.37 -38.28 89.58 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.709 -178.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.68 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.0 OUTLIER -69.89 -29.35 66.53 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.165 -173.277 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.68 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 1.9 mt-10 -72.47 -47.9 45.13 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.312 0.577 . . . . 0.0 109.543 179.356 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.8 mm-40 -64.3 -40.44 95.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.586 176.728 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.575 ' O ' HG13 ' B' ' 432' ' ' VAL . 13.8 mmt180 -60.27 -41.67 93.77 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.121 178.839 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 20.1 mt -55.22 -49.39 72.07 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.276 0.36 . . . . 0.0 110.38 178.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 90.3 m95 -65.62 -45.89 81.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.198 179.052 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 50.2 mt-10 -57.35 -54.9 41.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.621 0.248 . . . . 0.0 111.575 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.587 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.7 p -64.49 -35.9 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.629 -172.823 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.77 -29.69 67.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -177.796 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -70.07 -35.21 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 177.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' B' ' 432' ' ' VAL . 2.8 mt -70.86 -42.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.488 175.538 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.473 HD23 ' HG2' ' B' ' 406' ' ' GLU . 3.2 tm? -55.74 -45.15 78.05 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.536 178.426 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.3 t -75.87 -36.29 59.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.016 -174.177 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.52 -38.64 84.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.107 0.479 . . . . 0.0 110.231 177.496 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.578 ' HB3' HG12 ' B' ' 402' ' ' ILE . 26.4 mt -68.16 -40.95 82.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.354 178.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' B' ' 443' ' ' LEU . 38.5 mttp -66.77 -30.2 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.797 177.028 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.507 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 2.8 tmt_? -66.58 -45.41 79.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.011 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.4 mmmm -63.49 -26.19 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 177.375 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.8 tp -63.94 -42.5 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.493 174.388 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.41 -8.4 59.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 177.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 5.2 tp10 -83.84 -26.74 29.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.677 175.575 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.756 -179.218 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.852 HN21 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.527 ' HB3' HD12 ' A' ' 12' ' ' LEU . 9.5 tt0 -139.43 124.21 18.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.901 0.381 . . . . 0.0 110.392 -179.543 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -68.18 155.44 39.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.287 -172.587 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m 68.07 16.49 9.49 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.628 175.612 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HB3' ' A' ' 9' ' ' GLN . 40.1 mt -105.19 -27.24 11.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.192 177.206 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HA ' HG11 ' A' ' 62' ' ' VAL . . . -92.95 11.41 27.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 0.0 110.397 178.735 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 92.6 mt -131.51 117.44 18.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.554 177.827 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' HD1' HD12 ' A' ' 176' ' ' ILE . 17.7 m-70 -123.09 142.86 50.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.652 -176.776 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG2' ' CD ' ' A' ' 87' ' ' GLU . 1.2 mmtp -123.12 118.15 27.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.711 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 66' ' ' ILE . 7.3 p -121.86 128.83 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.228 0.537 . . . . 0.0 109.696 175.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -106.09 129.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.631 -177.106 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.605 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 17.9 mmt -81.89 107.22 14.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.564 174.343 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.6 m -94.74 140.46 16.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 110.365 -177.313 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 157.92 158.49 9.01 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.475 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 49.6 m -101.1 -71.2 0.72 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -178.002 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.44 148.42 48.54 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 173.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.63 58.5 4.47 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.51 -177.295 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.98 -50.83 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 122.961 0.504 . . . . 0.0 111.234 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' HD13 ' A' ' 30' ' ' LEU . . . -177.24 30.64 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.503 176.883 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 53.0 pttt -79.64 1.41 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.573 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -117.67 -24.41 7.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 175.779 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.87 -53.96 13.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.261 -175.207 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 26' ' ' GLY . 7.4 mp -60.45 -33.53 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.648 0.737 . . . . 0.0 110.348 -179.197 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.612 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.44 -47.1 80.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.378 -173.551 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' HB ' ' A' ' 40' ' ' VAL . 7.3 tt -71.78 -28.09 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -175.365 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.589 HE22 ' HA ' ' A' ' 39' ' ' PHE . 10.7 mm100 -59.89 -45.76 91.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.19 0.519 . . . . 0.0 109.845 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -72.73 -32.1 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.638 177.368 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.433 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 44.9 ttm -66.22 -50.87 62.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.322 -178.89 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 41.5 m-85 -101.08 -82.82 0.46 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.671 179.177 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 27.4 t70 171.62 -46.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.815 0.697 . . . . 0.0 109.858 -179.865 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.85 -178.75 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.639 -178.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' HA ' HE22 ' A' ' 33' ' ' GLN . 59.9 t80 -75.11 136.5 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.408 -172.019 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' HB ' HD22 ' A' ' 32' ' ' LEU . 2.7 p -55.51 124.35 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.469 -179.07 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -97.45 -48.07 5.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.539 174.583 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.5 t70 -153.8 117.7 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.463 -176.1 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -167.88 93.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.561 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 39.8 tt0 -83.47 -51.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.333 -176.864 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 22.3 Cg_exo -65.19 105.54 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.981 1.788 . . . . 0.0 113.138 -175.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.466 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 10.5 p -136.59 36.6 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 168.484 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -85.53 -55.71 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.935 -177.449 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.34 21.94 7.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.76 0.79 . . . . 0.0 108.931 172.435 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.1 m-20 -100.2 92.54 5.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.977 -167.001 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -90.96 153.17 20.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.251 170.495 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -143.59 112.87 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.107 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.632 ' HD2' ' HB3' ' A' ' 63' ' ' GLN . 11.9 ttp180 -75.42 119.66 19.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.501 -173.596 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 35' ' ' MET . 46.2 tptt -101.26 127.11 48.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.942 -179.705 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.625 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 3.9 tmmt? -100.86 117.31 34.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.981 0.419 . . . . 0.0 110.343 178.643 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.13 154.15 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.402 -179.644 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG22 ' C ' ' A' ' 60' ' ' GLU . 9.6 p -112.15 133.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 173.901 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.444 HD11 ' NH1' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -132.93 103.4 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.769 -179.106 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 43.97 35.1 1.05 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.548 1.155 . . . . 0.0 112.277 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.0 -116.43 0.43 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.92 -178.027 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' C ' HG22 ' A' ' 56' ' ' VAL . 14.6 pt-20 -106.71 167.38 9.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.148 0.179 . . . . 0.0 110.59 -174.928 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.625 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 41.6 mt-10 -73.86 112.91 10.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 109.854 179.132 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.532 HG11 ' HA ' ' A' ' 13' ' ' ALA . 59.3 t -106.48 147.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.062 -174.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.632 ' HB3' ' HD2' ' A' ' 52' ' ' ARG . 50.1 mt-30 -111.81 117.88 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.376 0.608 . . . . 0.0 110.43 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.1 124.07 72.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.142 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.65 132.37 47.37 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.612 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.2 mm -108.13 127.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.215 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 tp -98.71 115.37 28.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.138 176.212 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 10.9 t70 -92.53 138.82 31.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 175.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.0 p -109.13 147.8 31.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.92 -172.71 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.45 161.94 29.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.024 173.181 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -134.82 70.9 0.5 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.11 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.5 pt? -152.06 162.02 41.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -82.31 29.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.185 0.517 . . . . 0.0 111.144 -175.834 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m-20 -115.53 -74.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.506 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -79.74 74.84 6.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.836 -173.034 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.05 -19.12 60.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.289 175.515 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -70.87 -6.59 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.716 -177.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.455 HG12 ' CE1' ' B' ' 413' ' ' HIS . 42.4 mt -95.05 -33.47 4.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -178.882 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.97 -64.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.112 0.482 . . . . 0.0 111.171 -176.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.13 -38.11 66.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.084 -170.233 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.547 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 2.8 m-20 -71.43 -17.64 62.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.576 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -97.58 -14.3 21.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.337 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.623 ' HB3' HG22 ' A' ' 114' ' ' VAL . 7.9 m-30 -60.65 -32.59 71.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.338 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -57.03 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.021 -175.414 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 8.0 m -90.28 22.86 3.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.945 0.403 . . . . 0.0 111.146 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.77 137.22 14.38 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.33 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 92.4 mt-10 -88.32 -70.08 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.683 0.277 . . . . 0.0 110.626 -179.58 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.57 147.25 17.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.196 -178.771 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -127.78 123.88 36.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.302 . . . . 0.0 110.589 -178.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' VAL . 85.2 mt -103.45 121.9 43.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.552 178.8 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.8 mp -94.17 107.9 19.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.38 129.15 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.057 0.456 . . . . 0.0 111.811 -177.211 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' HZ ' ' HH ' ' A' ' 154' ' ' TYR . 22.1 p90 -148.24 165.26 31.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.964 176.707 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -109.07 148.74 30.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.47 16.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.091 -178.59 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 132' ' ' LEU . 13.7 p -123.19 -2.86 8.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 176.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.25 111.59 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.578 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -78.04 -29.81 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.895 -173.219 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.53 -31.82 67.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.121 0.486 . . . . 0.0 110.429 -174.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 -28.24 69.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.701 175.436 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.3 -40.52 81.7 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.156 0.503 . . . . 0.0 109.652 175.624 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -63.94 -42.16 97.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.498 0.666 . . . . 0.0 109.761 174.331 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.74 80.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.398 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.618 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 10.9 p -58.54 -32.36 68.81 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.531 -178.86 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.2 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 110.461 177.805 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.64 -27.4 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.681 -178.235 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 14.3 m-85 -56.61 -42.3 78.52 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.633 179.667 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.504 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 ttt180 -55.36 -53.04 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.431 -178.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.25 -27.31 65.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.32 -36.34 71.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.09 0.472 . . . . 0.0 109.883 -179.081 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.575 ' HA ' HG21 ' A' ' 114' ' ' VAL . 64.1 mt -71.46 -33.96 51.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.201 177.057 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.7 mm? -58.91 -28.93 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.517 174.835 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -78.67 -44.89 22.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.255 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.623 HG22 ' HB3' ' A' ' 83' ' ' PHE . 30.9 m -76.88 -34.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.555 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.611 ' HB2' HD11 ' A' ' 121' ' ' ILE . 51.0 mtpt -98.9 -71.65 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.659 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.63 -80.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 177.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.68 28.18 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.011 0.434 . . . . 0.0 111.694 -170.166 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 6.6 mm-40 -81.92 -161.44 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.114 178.147 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 120' ' ' LYS . 1.8 p-10 -61.67 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 174.197 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.673 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 44.2 mmtm -146.81 -178.41 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.255 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 115' ' ' LYS . 67.8 mt -139.81 93.23 9.61 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.519 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.4 ' HB2' HD13 ' A' ' 172' ' ' LEU . 2.8 Cg_endo -86.74 126.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.592 2.861 . . . . 0.0 112.607 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.15 145.38 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.047 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 125' ' ' VAL . 4.2 tp -136.71 117.92 14.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.274 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.419 ' N ' HD13 ' A' ' 124' ' ' LEU . 9.1 t -87.34 118.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.884 -177.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.47 109.89 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.565 -175.381 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.73 113.57 3.8 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 177.18 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.453 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 6.5 p30 -109.69 176.2 5.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.884 0.342 . . . . 0.0 110.967 -176.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.561 ' HE2' " H1'" ' A' ' 500' ' ' GNP . 33.6 mmtp 69.17 31.31 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.858 0.724 . . . . 0.0 110.376 -178.282 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 m -58.19 -12.4 3.53 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -177.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.72 -14.06 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.654 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.2 mt -85.35 41.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.808 179.761 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.14 -26.1 67.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -176.183 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -101.37 -10.07 20.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.997 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.511 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.3 mtt180 -107.48 -3.53 19.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.609 -178.22 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.524 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.1 ttm180 -53.31 117.72 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.639 179.603 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.547 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 6.0 tp60 -107.52 -22.45 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.513 178.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 6.1 p -107.17 118.94 52.57 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.742 172.634 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.507 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 48.7 Cg_exo -55.42 115.72 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.783 2.322 . . . . 0.0 111.485 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.662 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -70.21 -25.21 27.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.933 -176.384 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.74 -50.5 73.01 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.314 -178.642 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.7 pt-20 -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.375 -179.723 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.81 77.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.352 176.051 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.692 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 27.7 mtm180 -64.05 -40.14 95.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.501 175.386 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 22.7 t -67.59 -20.34 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.023 179.424 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 54.4 mmtt -71.1 -41.91 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.748 175.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.592 ' HB1' HG21 ' A' ' 152' ' ' VAL . . . -61.61 -36.09 79.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 109.403 172.772 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.495 ' HB3' ' O ' ' A' ' 145' ' ' SER . 32.6 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.107 177.045 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 145' ' ' SER . 42.3 mt-10 -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.25 -179.304 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.3 -13.01 50.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.59 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.96 26.45 37.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.429 179.365 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.592 HG21 ' HB1' ' A' ' 147' ' ' ALA . 17.0 m -121.48 -175.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 178.916 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -105.83 162.67 13.35 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.619 178.394 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.692 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 66.0 t80 -130.16 122.35 28.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.602 176.538 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.09 123.0 59.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -84.42 129.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -131.97 156.66 45.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.366 0.603 . . . . 0.0 111.675 -172.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.3 p -138.44 102.93 4.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.764 173.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.573 ' HA ' HG22 ' A' ' 165' ' ' VAL . . . -60.82 -18.7 57.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.69 -177.512 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -67.6 -18.71 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.294 -178.462 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.9 t -141.06 10.37 2.15 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.113 0.483 . . . . 0.0 110.617 178.752 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 61.63 25.91 15.7 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.582 178.128 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -72.25 109.52 6.05 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.679 178.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 70.31 4.16 4.77 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.025 0.828 . . . . 0.0 112.207 176.543 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 159' ' ' ALA . 97.1 t -71.2 -47.43 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 -176.062 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.93 -36.8 82.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.471 . . . . 0.0 110.52 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.39 -50.99 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.01 -176.47 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -57.89 -26.96 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -175.525 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -74.24 -56.44 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.128 175.141 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.7 m-85 -61.41 -41.84 97.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.617 -175.205 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -51.11 70.7 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.416 179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 122' ' ' PRO . 41.1 tp -65.18 -34.61 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.389 0.614 . . . . 0.0 109.955 179.755 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.2 mtp -64.08 -29.66 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.519 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 6.9 mmm180 -70.8 -39.46 73.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.834 -0.167 . . . . 0.0 110.574 -179.684 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.22 -37.0 76.42 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.693 176.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.459 HD12 ' HD1' ' A' ' 15' ' ' HIS . 70.6 mt -57.21 -32.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.0 0.429 . . . . 0.0 110.73 179.579 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 181' ' ' MET . 73.7 mtt180 -67.06 -52.25 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.183 176.717 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.8 m -63.79 -36.54 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.886 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.673 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.5 mptt -63.64 -49.14 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.795 179.454 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -74.69 -18.92 60.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -176.278 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.482 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 60.0 mtt -85.92 -2.25 58.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.413 . . . . 0.0 110.07 175.202 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.7 m 62.98 -98.08 0.07 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.191 178.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 178.21 113.44 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 -174.681 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -136.06 36.16 2.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.454 -179.478 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.756 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 12.8 p -77.41 96.11 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 0.0 110.555 178.722 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.93 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.324 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.449 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.3 m -83.15 -28.87 29.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.158 0.504 . . . . 0.0 110.323 -179.082 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.756 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 88.2 mt-30 -58.44 -30.58 67.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.076 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.62 -52.39 65.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.725 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . 0.581 ' HA2' ' HG2' ' B' ' 400' ' ' GLU . . . -68.38 -31.06 73.63 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.22 -179.583 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 394' ' ' THR . 44.9 mm -63.46 -48.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 0.0 110.086 175.745 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' B' ' 402' ' ' ILE . 97.4 mttt -64.06 -43.69 94.71 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.672 -178.389 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.581 ' HG2' ' HA2' ' B' ' 397' ' ' GLY . 12.1 pt-20 -66.95 -32.56 73.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.817 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.652 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 9.0 tp10 -69.82 -42.22 73.96 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.553 ' HA ' HD23 ' B' ' 439' ' ' LEU . 89.7 mt -53.07 -51.42 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 174.316 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.416 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 31.5 mmt180 -57.02 -42.99 81.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 178.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.652 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 49.8 ttt180 -59.92 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 80.3 mm-40 -73.42 -27.22 61.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.934 -177.042 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 33.8 mt-10 -59.58 -43.19 93.72 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.032 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.58 -45.52 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.042 0.448 . . . . 0.0 111.06 -178.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.488 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.9 tm? -63.77 -43.95 94.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.606 176.842 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 48.9 t30 -56.41 -43.74 79.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.194 178.084 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.0 t -60.11 -55.85 28.86 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 -179.148 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.535 ' HB3' HD21 ' B' ' 429' ' ' LEU . 3.2 mm? -55.0 -37.07 66.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.007 0.432 . . . . 0.0 111.055 176.771 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.0 m170 -66.94 -40.39 87.57 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.671 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 36.0 mtp180 -78.64 -49.29 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.598 -178.401 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -62.98 -35.15 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.932 -175.09 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.547 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -84.65 -25.92 28.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.77 -179.209 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.7 tt0 -59.26 -25.44 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.672 0.389 . . . . 0.0 111.708 -175.086 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.17 -11.15 70.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.506 178.839 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 120.97 -20.41 8.59 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.189 178.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.8 mt -80.02 117.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.684 0.278 . . . . 0.0 110.67 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.484 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -136.38 162.58 32.64 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.032 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.725 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 13.6 t70 -147.02 155.39 42.2 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.533 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.07 -23.86 67.29 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.364 -174.849 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.7 m -68.42 -36.06 78.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.437 0.637 . . . . 0.0 109.446 174.837 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.725 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 23.7 mttm -74.13 -39.39 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.974 -177.455 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.72 -44.88 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.185 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 8.6 mm-40 -66.52 -39.79 88.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.598 175.659 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.43 ' O ' HG23 ' B' ' 432' ' ' VAL . 0.4 OUTLIER -60.18 -40.41 89.89 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.272 177.796 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.535 HD21 ' HB3' ' B' ' 412' ' ' LEU . 12.2 mt -58.71 -50.57 73.4 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.205 -179.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.441 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 72.9 m95 -64.35 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.183 0.302 . . . . 0.0 110.876 177.187 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 48.1 mt-10 -65.08 -55.62 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.645 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.529 ' HA ' HD13 ' B' ' 435' ' ' ILE . 2.2 t -62.36 -36.02 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.816 0.817 . . . . 0.0 109.038 179.623 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -56.62 -57.02 14.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.084 -1.417 . . . . 0.0 111.818 178.711 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.606 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 3.7 ptm180 -60.52 -28.16 68.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.899 -177.149 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -71.4 -49.2 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.336 177.67 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.436 HD12 HG23 ' B' ' 402' ' ' ILE . 26.1 tp -63.12 -41.15 99.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.1 t -65.88 -39.74 90.94 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.15 0.5 . . . . 0.0 110.032 179.616 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.15 -37.57 81.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.134 176.391 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.9 mp -61.69 -40.44 94.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.744 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -60.21 -42.7 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.12 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -45.96 90.37 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.927 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -59.17 -32.65 70.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.395 -179.765 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' B' ' 443' ' ' LEU . 0.5 OUTLIER -62.81 -45.98 90.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.182 0.515 . . . . 0.0 109.925 176.602 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -80.85 -4.61 55.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.286 -179.519 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -96.84 -9.99 27.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 -178.226 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.32 179.705 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.561 " H1'" ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.475 ' N ' ' HA ' ' A' ' 181' ' ' MET . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 65.63 -176.97 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.456 0.646 . . . . 0.0 111.893 177.089 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -108.3 -54.65 2.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.22 175.272 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -84.19 123.92 30.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.247 176.389 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD11 ' HD3' ' A' ' 180' ' ' LYS . 74.9 mt -104.06 -33.86 8.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.394 -177.556 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 55.41 13.23 0.87 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -155.29 130.26 9.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.699 0.285 . . . . 0.0 110.327 -178.01 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.538 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 50.3 m-70 -138.06 136.53 36.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.816 177.017 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -106.43 106.85 17.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.337 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.84 137.42 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.489 178.195 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.21 120.56 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.646 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 43.3 mtt -86.56 139.06 31.21 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 172.443 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 91' ' ' LEU . 23.1 m -110.09 170.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.327 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.26 150.74 5.51 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.927 178.94 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -80.05 94.93 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.362 0.601 . . . . 0.0 109.893 176.646 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.61 -83.52 0.71 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.7 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.01 -43.24 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.293 177.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 93' ' ' PHE . 58.2 t 70.14 -58.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 123.526 0.73 . . . . 0.0 111.208 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.23 22.93 0.06 OUTLIER Glycine 0 C--N 1.313 -0.698 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.052 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.012 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 86.7 tttt -66.43 -60.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.67 -0.765 . . . . 0.0 111.81 -174.227 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.426 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 44.1 m -59.72 -22.5 62.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.809 -177.38 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.575 ' HB2' HO3' ' A' ' 500' ' ' GNP . . . -71.27 -49.0 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.234 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.7 mt -73.52 -32.93 64.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -175.415 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.1 p -66.12 -47.38 74.33 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.055 -178.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.14 -33.64 73.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.428 179.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.471 ' HB2' HG11 ' A' ' 165' ' ' VAL . 18.3 mm-40 -59.43 -45.01 92.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.545 176.15 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -72.24 -28.63 63.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.317 0.58 . . . . 0.0 110.677 179.381 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtp -78.01 -59.62 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.067 -176.255 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 38' ' ' GLU . 47.1 m-85 -114.37 3.12 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -173.18 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 30.9 t70 74.07 -19.32 0.36 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.278 0.631 . . . . 0.0 112.074 177.216 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 36' ' ' TYR . 71.4 mm-40 -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.087 0.47 . . . . 0.0 111.388 -178.023 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -75.8 147.75 38.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.182 -179.202 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.36 108.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -178.303 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.08 -54.21 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.172 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -155.24 90.44 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.276 178.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -153.25 102.56 2.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.4 mm-40 -105.07 -49.53 0.12 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -174.814 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.65 101.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.545 2.163 . . . . 0.0 113.808 -176.685 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.54 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -155.27 52.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.611 177.028 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -73.23 -59.55 2.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.123 -174.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.61 -48.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.436 0.636 . . . . 0.0 110.528 176.635 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.29 136.4 36.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.165 -175.916 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.4 m -126.81 -172.66 2.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.016 178.397 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -114.86 144.73 43.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.597 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 39.4 ttm180 -93.18 146.45 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 110.303 -178.475 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -118.92 133.59 55.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.684 -178.844 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -97.84 127.36 43.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 171.636 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.43 144.54 32.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 175.866 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 60' ' ' GLU . 10.2 p -111.6 105.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.776 0.798 . . . . 0.0 109.504 174.836 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 99.3 11.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 178.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 77.09 -39.62 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.57 -1.196 . . . . 0.0 113.145 175.59 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.61 -68.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.39 -170.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' HG21 ' A' ' 62' ' ' VAL . 9.8 pt-20 -92.62 138.65 31.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.184 0.492 . . . . 0.0 111.153 -171.586 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -68.76 110.85 4.52 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 170.11 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 60' ' ' GLU . 6.9 t -106.87 151.94 8.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.824 -174.323 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.597 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 47.6 mt-30 -110.54 116.98 32.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.325 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.551 HD13 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -106.61 111.89 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 CA-C-O 121.886 0.85 . . . . 0.0 109.144 178.152 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.525 ' HB3' ' CE ' ' A' ' 16' ' ' LYS . 16.3 t70 -90.22 125.87 35.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.064 -175.735 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 50' ' ' SER . 38.2 mm -106.63 145.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.35 -171.052 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD23 ' CZ2' ' B' ' 430' ' ' TRP . 52.2 tp -127.35 104.05 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 177.312 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 1.012 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 15.5 t70 -97.45 144.53 27.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.468 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -133.82 140.48 46.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -165.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.05 94.14 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 169.575 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.58 77.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.721 -177.714 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -142.74 172.13 13.11 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.477 0.179 . . . . 0.0 110.579 179.865 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.45 -19.63 61.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.854 -171.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' HB2' HD11 ' A' ' 72' ' ' LEU . 5.2 m-20 -68.36 -69.4 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.563 0.697 . . . . 0.0 111.101 -178.394 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' HB3' HG13 ' A' ' 78' ' ' ILE . 55.3 m-85 -84.17 65.29 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.319 -174.567 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.72 -28.93 70.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.143 178.289 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.88 -6.3 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.525 -179.078 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.6 HG12 ' CE1' ' B' ' 413' ' ' HIS . 30.8 mt -98.95 -27.42 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.601 179.171 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -92.41 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.67 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.664 -170.398 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.26 -17.64 63.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.824 -172.347 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' B' ' 409' ' ' LEU . 0.0 OUTLIER -87.04 -12.42 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.293 -175.642 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -74.43 2.65 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 178.169 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 3.5 tmt_? -62.19 -63.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.101 -176.005 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.508 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.0 t -95.12 44.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.324 0.583 . . . . 0.0 110.515 -175.168 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.72 133.41 11.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.969 179.1 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.0 mt-10 -89.51 -70.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 110.045 -179.8 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.26 139.65 14.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.215 -178.214 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -123.2 137.68 54.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.6 . . . . 0.0 111.454 -176.699 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.553 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 87.9 mt -111.26 116.55 31.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.183 178.167 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.773 HD13 HG22 ' A' ' 125' ' ' VAL . 38.0 mt -87.68 107.39 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.519 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.7 t -108.45 127.57 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.93 -175.383 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.596 ' HA ' HG12 ' A' ' 25' ' ' VAL . 5.7 p90 -146.71 158.83 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.863 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.57 ' HG ' ' HG2' ' A' ' 97' ' ' GLU . 8.8 p -100.21 141.91 32.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.676 0.274 . . . . 0.0 110.496 177.462 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.513 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.79 24.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 112.225 -175.512 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.42 HG23 HD13 ' A' ' 132' ' ' LEU . 36.5 p -121.61 -31.53 3.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.983 0.421 . . . . 0.0 110.541 174.489 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.57 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 10.6 mm-40 -94.12 99.36 11.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.392 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -74.54 -19.7 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.017 -175.724 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.99 -43.39 95.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.502 176.06 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -64.06 -33.99 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.338 177.31 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.57 -17.18 63.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.364 0.602 . . . . 0.0 110.835 176.645 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -89.7 -28.54 19.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.521 0.677 . . . . 0.0 109.709 175.845 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.21 -20.48 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.579 -179.047 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.629 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 2.5 p -62.08 -31.67 72.13 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 111.518 179.733 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.77 88.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.042 0.449 . . . . 0.0 109.937 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.36 -45.65 92.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.753 178.245 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 16.9 m-85 -57.51 -49.11 77.37 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.188 -179.424 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -56.31 -51.17 69.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.653 -179.166 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.79 -37.17 83.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.576 -179.364 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.94 -35.74 81.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.224 0.535 . . . . 0.0 110.081 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.3 mt -61.05 -40.11 84.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.964 178.597 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -77.94 -38.68 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.77 178.623 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -57.65 -41.39 81.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 111.556 -177.619 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.2 m -82.22 -8.83 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.82 -178.414 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 37.8 mtmm -138.38 -112.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.193 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.5 11.36 3.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.326 0.65 . . . . 0.0 111.412 -176.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -129.22 2.97 5.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.956 -176.297 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.35 -78.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.418 -177.295 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.426 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 27.1 t70 -156.98 -80.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.426 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.761 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 74.2 mmtt -144.44 136.27 25.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 110.437 -176.907 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.38 111.15 36.78 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.785 -177.296 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 83.6 Cg_endo -89.51 138.72 3.23 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 123.035 2.49 . . . . 0.0 112.445 176.134 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.01 133.33 49.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 111.249 -178.501 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 153' ' ' GLN . 7.7 tp -128.2 123.3 33.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.511 175.348 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.773 HG22 HD13 ' A' ' 91' ' ' LEU . 12.3 t -92.73 129.08 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.822 -178.715 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.25 124.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.538 -176.26 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.82 112.62 4.05 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.422 178.034 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -101.02 157.8 16.49 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.435 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HE3' ' C5 ' ' A' ' 500' ' ' GNP . 46.0 mmtm 70.37 19.06 6.56 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.064 0.546 . . . . 0.0 111.559 179.882 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -59.89 -18.85 47.9 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.518 0.675 . . . . 0.0 109.95 177.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.55 -22.2 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.861 175.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.42 HD13 HG23 ' A' ' 96' ' ' THR . 92.0 mt -72.0 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.564 178.482 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 65.11 -67.37 0.13 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.61 0.764 . . . . 0.0 112.684 177.384 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.06 -34.46 78.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.036 0.446 . . . . 0.0 111.273 -177.772 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -92.3 17.09 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -177.679 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.7 113.7 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -177.6 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.55 -16.46 17.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.6 -178.218 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.73 111.34 64.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.857 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.715 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.2 Cg_exo -56.36 101.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.572 1.515 . . . . 0.0 109.636 172.364 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.8 -11.84 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.227 0.537 . . . . 0.0 110.725 -168.329 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.48 -42.64 78.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.583 175.001 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.715 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 11.2 pt-20 -72.12 -27.59 62.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.818 0.342 . . . . 0.0 110.368 -179.703 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.79 -42.74 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.2 0.524 . . . . 0.0 110.192 176.849 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 144' ' ' ARG . 11.2 mtp180 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.29 177.257 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.2 t -64.49 -45.53 86.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 175.689 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 62.5 mmtt -61.56 -33.02 73.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.432 -177.57 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.497 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -56.57 -47.73 78.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.411 . . . . 0.0 110.494 175.605 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.48 -32.85 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.419 -179.051 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -84.73 -19.64 32.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 110.614 -179.459 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.88 30.25 18.34 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.625 -179.099 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.02 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.088 0.47 . . . . 0.0 110.674 -178.827 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.641 ' HG2' HD12 ' A' ' 124' ' ' LEU . 9.3 pm0 -118.71 149.68 41.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.661 177.129 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.2 t80 -129.11 118.94 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 178.033 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.2 130.9 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.514 -178.273 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -90.09 138.37 31.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 36.1 p -128.75 143.51 50.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.168 0.508 . . . . 0.0 111.613 -175.719 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.61 108.76 12.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.422 172.856 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.23 -7.59 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 -176.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.95 -44.9 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 0.0 110.232 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.7 p -95.03 -6.22 42.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.588 -178.342 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 60.66 70.45 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.194 -175.704 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -134.52 133.44 40.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.577 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.46 15.29 10.06 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.497 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 33' ' ' GLN . 59.6 t -73.09 -56.28 10.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.778 0.323 . . . . 0.0 110.69 -178.303 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.83 -35.65 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.201 0.524 . . . . 0.0 110.763 178.725 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -53.76 -51.18 64.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.087 -176.67 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 165' ' ' VAL . 33.5 m -66.57 -28.24 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -174.722 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -75.37 -56.3 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.811 176.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -61.87 -35.15 77.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.55 -175.171 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.29 -51.71 68.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 110.572 -179.862 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.0 tp -65.24 -40.03 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 178.581 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.551 ' SD ' HD13 ' A' ' 64' ' ' ILE . 64.8 mtp -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.498 -179.859 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.71 -46.72 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.314 -0.155 . . . . 0.0 111.03 178.294 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.64 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.702 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 172' ' ' LEU . 68.8 mt -57.79 -30.61 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 181' ' ' MET . 56.6 mtm180 -59.97 -51.66 68.72 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.468 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.7 m -59.0 -39.3 81.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.032 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.761 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -64.96 -51.83 59.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.3 178.663 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.475 ' HD3' HD11 ' A' ' 12' ' ' LEU . 29.1 mtpp -70.53 -26.2 63.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.504 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.475 ' HA ' ' N ' ' A' ' 8' ' ' GLY . 64.1 mtt -78.92 -27.19 43.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.932 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 25.1 m 66.05 169.34 0.22 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.235 174.677 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.596 ' HG2' ' H ' ' A' ' 185' ' ' LYS . 35.9 tt0 -109.68 -86.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.802 177.779 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 61.06 18.09 8.63 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.673 0.749 . . . . 0.0 111.127 178.135 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.596 ' H ' ' HG2' ' A' ' 183' ' ' GLU . 30.8 mmtp . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.21 -178.344 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.487 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.7 p -128.91 -3.67 5.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.672 0.749 . . . . 0.0 109.749 177.804 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -71.02 -47.02 61.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.774 -172.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.53 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m -75.21 -41.54 57.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.255 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -61.73 -31.84 72.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.138 -178.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -54.48 -55.16 31.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.075 -179.777 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.53 HG12 ' O ' ' B' ' 394' ' ' THR . 50.0 mm -60.28 -50.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.421 178.27 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.96 -34.22 77.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.208 -177.469 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.1 mt-10 -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 0.0 110.231 176.495 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 47.1 mt-10 -74.11 -33.51 63.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.293 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 398' ' ' ILE . 81.9 mt -57.86 -53.81 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.563 176.765 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' B' ' 403' ' ' ARG . 43.7 mtp180 -61.94 -33.29 74.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.8 179.447 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 67.7 ttt180 -58.05 -50.48 73.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.9 177.426 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.609 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -76.51 -27.54 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 35.8 mt-10 -59.95 -47.67 84.83 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 173.339 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.29 -48.84 80.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.934 176.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.8 mt -60.26 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -177.529 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.415 HD13 ' OH ' ' A' ' 82' ' ' TYR . 35.0 tp -66.49 -37.36 84.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.468 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 -45.92 88.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.465 -179.72 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -60.77 -50.08 74.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.854 -178.79 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.401 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 92.9 mt -62.39 -31.65 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.147 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.6 ' CE1' HG12 ' A' ' 78' ' ' ILE . 7.0 m-70 -70.48 -48.32 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.989 177.499 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.79 -33.67 75.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.238 -179.482 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.2 -54.68 42.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.715 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 20.5 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.383 -179.116 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -21.93 65.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.991 179.379 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.29 -9.38 73.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.539 179.239 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 108.0 -1.39 33.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.542 179.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.715 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 26.0 mt -92.74 146.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.745 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.487 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -155.9 150.73 26.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.507 0.67 . . . . 0.0 111.397 175.148 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -149.21 149.08 30.41 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 171.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.496 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 2.7 pt? -61.22 -26.59 67.85 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.314 -177.099 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.0 m -65.29 -34.73 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 178.821 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -73.16 -42.4 62.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 -176.66 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.496 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 26.4 mt-10 -60.05 -48.44 81.72 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.009 -176.503 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -69.41 -41.56 76.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.253 -178.27 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.514 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.4 tpt180 -67.34 -32.08 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.316 179.431 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.1 mt -56.42 -47.35 79.24 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.038 177.928 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.508 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 49.5 m95 -70.03 -35.61 74.43 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.546 178.411 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.472 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 51.2 mt-10 -63.25 -54.61 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.609 HG23 ' OE1' ' B' ' 405' ' ' GLN . 7.7 p -60.6 -35.15 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.548 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.29 -48.1 77.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.494 175.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.472 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 16.1 mtp180 -63.39 -35.31 80.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.254 179.157 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' B' ' 432' ' ' VAL . 28.9 mt -74.63 -45.5 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -178.079 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -56.92 -42.51 80.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.979 178.198 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 -35.5 63.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.79 0.328 . . . . 0.0 111.14 -177.668 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.36 80.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.284 0.564 . . . . 0.0 109.88 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -34.61 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.536 177.211 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.51 -35.88 80.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.94 0.4 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.14 -45.68 84.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.496 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.2 mmmt -58.5 -35.92 72.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.345 178.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.31 -48.31 78.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.708 0.29 . . . . 0.0 110.971 178.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -82.49 -1.96 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.27 0.557 . . . . 0.0 110.47 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.62 -24.88 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.925 178.893 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.563 179.954 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.575 HO3' ' HB2' ' A' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.546 HE22 ' HA ' ' A' ' 181' ' ' MET . 11.0 pt20 -84.84 -42.91 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 110.202 179.093 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 54.3 m -160.97 158.94 28.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -75.05 116.8 16.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.138 0.494 . . . . 0.0 110.299 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 180' ' ' LYS . 25.1 mt -106.84 29.53 6.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.09 -178.358 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -0.73 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.014 -171.114 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.68 123.2 48.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.38 178.922 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.429 ' ND1' ' HG3' ' A' ' 173' ' ' MET . 47.1 m-70 -134.1 123.4 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 -177.145 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 15.6 mmtp -105.76 115.53 30.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.48 . . . . 0.0 111.399 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.84 116.02 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.096 179.346 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.763 -178.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HG2' HD12 ' A' ' 90' ' ' LEU . 90.5 mtp -95.41 108.52 20.73 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.619 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 35.1 m -104.8 160.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.813 -173.851 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.2 161.03 22.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.411 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -86.9 109.33 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.211 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 -102.48 1.11 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.6 -176.679 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.97 86.05 0.19 Allowed Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.233 178.387 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.682 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.9 t -88.16 41.6 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.734 0.778 . . . . 0.0 109.957 177.299 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.19 77.66 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.051 -179.565 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -83.29 17.04 2.21 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.876 0.338 . . . . 0.0 111.835 -174.903 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -117.78 -15.64 10.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.237 171.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.52 -54.56 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -176.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 HG11 ' A' ' 165' ' ' VAL . 80.9 mt -61.54 -32.79 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -65.29 -36.9 85.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.193 -178.05 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.2 tm? -74.32 -40.28 62.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.433 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.666 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.8 mm-40 -55.07 -50.71 68.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.161 176.47 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' HE2' HD11 ' A' ' 64' ' ' ILE . 49.9 t80 -73.21 -0.86 15.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.579 -179.604 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.4 ttm -105.39 -53.06 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.942 -0.474 . . . . 0.0 111.721 -177.531 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' C ' ' H ' ' A' ' 38' ' ' GLU . 57.2 m-85 -116.62 8.2 13.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.337 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.9 m-20 73.24 -28.25 0.19 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.533 0.733 . . . . 0.0 112.492 176.174 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 36' ' ' TYR . 15.7 mm-40 -97.32 -178.69 4.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 -175.158 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.666 ' HA ' HE22 ' A' ' 33' ' ' GLN . 80.2 t80 -74.32 148.8 41.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.044 -174.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 32' ' ' LEU . 3.4 p -74.41 106.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.892 -176.855 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -90.03 -43.95 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.483 175.293 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -156.43 158.63 37.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.423 177.661 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 11.1 t80 -155.61 91.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.7 mt-10 -61.28 -56.46 33.88 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.59 -174.554 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 41.6 Cg_endo -68.14 103.22 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.629 1.553 . . . . 0.0 110.988 178.122 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -157.41 -22.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -171.807 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.95 -59.24 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.649 -178.032 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.89 -17.4 5.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.5 173.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 1.5 m-20 -81.62 143.99 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.334 -178.515 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 67.5 m -137.24 155.45 49.48 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.095 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 34.9 t80 -127.6 117.5 22.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 110.528 -174.268 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.67 161.71 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.391 -179.304 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 166.61 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.621 179.842 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -93.25 115.95 28.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 -178.634 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -118.3 147.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.11 178.397 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 61' ' ' GLU . 74.8 t -133.44 113.76 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.023 0.439 . . . . 0.0 111.428 179.496 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.3 mt -88.61 99.46 12.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 163.871 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -5.39 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.396 1.685 . . . . 0.0 113.734 -167.569 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.66 -79.52 0.2 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.478 -0.868 . . . . 0.0 113.204 -179.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.68 138.92 33.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.659 0.266 . . . . 0.0 111.237 -172.403 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' HA ' HG22 ' A' ' 56' ' ' VAL . 43.0 mt-10 -77.98 105.99 9.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.216 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.01 142.09 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -169.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -112.43 115.86 29.38 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.519 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 34' ' ' PHE . 12.4 tt -104.0 110.85 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-O 121.852 0.834 . . . . 0.0 109.329 179.658 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.581 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 21.1 t0 -95.59 109.54 21.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.947 -174.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 31' ' ' THR . 48.6 mm -109.12 121.97 63.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.31 -175.638 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.0 tp -97.87 121.86 40.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.375 -178.32 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -105.7 150.52 25.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 170.167 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 p -141.65 160.59 39.86 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -166.16 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.49 120.01 22.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.188 170.103 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.48 70.47 2.8 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.328 -176.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -155.63 168.8 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.688 0.28 . . . . 0.0 110.737 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.14 -18.73 31.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.754 -174.928 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 m-20 -55.48 -67.03 0.32 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.725 0.774 . . . . 0.0 110.596 178.459 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.511 ' HB3' HG13 ' A' ' 78' ' ' ILE . 84.3 m-85 -83.8 61.44 6.36 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.831 -178.644 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.63 -23.95 60.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.605 175.277 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.6 -6.16 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.62 178.491 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.511 HG13 ' HB3' ' A' ' 75' ' ' TYR . 44.3 mt -101.14 -21.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.006 0.432 . . . . 0.0 110.025 176.372 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.93 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.794 179.483 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 8.0 t70 -62.4 -51.38 67.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.297 0.57 . . . . 0.0 111.345 -175.322 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' HB3' HD13 ' B' ' 429' ' ' LEU . 87.0 m-20 -68.58 -19.84 64.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.559 -170.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.33 -38.23 11.6 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.196 177.219 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.9 m-85 -54.8 -31.59 59.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.882 0.372 . . . . 0.0 111.572 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 29.5 mmt180 -52.57 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.975 -175.892 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.492 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.8 m -86.29 29.33 0.76 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.4 151.29 19.96 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.483 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -103.13 -74.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.411 177.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.69 148.02 18.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.226 -177.86 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -125.25 127.31 46.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.083 0.468 . . . . 0.0 111.411 -178.064 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 124' ' ' LEU . 73.8 mt -98.12 110.15 22.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.054 175.682 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 104' ' ' THR . 11.1 mp -92.19 106.99 18.89 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.598 HG11 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -108.02 134.95 48.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.982 0.42 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.682 ' HA ' HG11 ' A' ' 25' ' ' VAL . 29.9 p90 -142.54 147.65 36.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.92 178.062 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.5 t -83.96 138.13 33.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.701 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.614 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.89 -3.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.702 0.287 . . . . 0.0 111.749 -179.721 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.545 ' CG2' HD21 ' A' ' 132' ' ' LEU . 12.1 p -87.56 -17.6 31.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.28 171.076 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.744 -173.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.22 -25.82 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.343 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.96 -46.1 69.01 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.04 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.5 m -65.3 -31.15 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.275 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -62.59 -43.78 97.96 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 173.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -68.84 -27.75 66.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.7 62.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.899 -178.648 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.413 ' CB ' HD22 ' A' ' 91' ' ' LEU . 49.5 p -58.82 -33.97 70.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.781 177.366 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.94 84.12 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 177.305 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.77 -47.98 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.441 178.753 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.54 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.7 m-85 -58.27 -46.26 86.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.35 177.26 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.65 -51.03 68.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -178.516 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.14 -37.48 87.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.349 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.8 0.333 . . . . 0.0 110.212 178.707 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 107' ' ' PHE . 99.2 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.647 178.39 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 116' ' ' ALA . 10.6 mp -66.71 -37.41 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 178.576 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -61.35 -37.98 85.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.746 0.308 . . . . 0.0 111.313 -178.04 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.711 HG22 ' HG3' ' A' ' 115' ' ' LYS . 32.0 m -95.48 -3.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.712 -175.807 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.711 ' HG3' HG22 ' A' ' 114' ' ' VAL . 26.4 mtpp -133.99 -90.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.33 -0.231 . . . . 0.0 110.691 -177.748 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 112' ' ' LEU . . . 65.76 -61.05 0.27 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.508 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.51 36.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.813 0.445 . . . . 0.0 111.262 -173.544 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.6 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 4.5 mm-40 -99.69 -172.12 2.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.609 -173.73 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.59 -71.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.9 175.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -144.95 133.41 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.8 mt -111.73 101.5 51.36 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.36 179.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.51 123.55 2.97 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.276 2.651 . . . . 0.0 112.533 179.141 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.76 159.14 19.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.617 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.586 HD11 ' HG3' ' A' ' 153' ' ' GLN . 8.0 tp -150.62 121.33 7.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.613 174.37 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.431 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.3 t -97.47 117.82 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.537 -179.665 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.598 ' HB ' HG11 ' A' ' 92' ' ' VAL . 22.8 t -109.78 132.33 58.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.874 -173.511 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.7 94.54 2.0 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.145 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -82.45 164.84 20.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.79 0.329 . . . . 0.0 111.347 -175.598 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.516 ' HA ' ' C6 ' ' A' ' 500' ' ' GNP . 5.8 mmmm 70.41 28.12 3.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.594 170.555 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -72.02 84.18 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.596 0.712 . . . . 0.0 109.505 178.064 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.5 ' OD1' ' HG2' ' A' ' 160' ' ' LYS . 13.5 t70 -154.87 -39.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.756 -176.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.604 HD13 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -60.68 -29.64 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.839 176.472 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 49.21 -68.83 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.448 1.499 . . . . 0.0 114.761 -177.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 132' ' ' LEU . 11.3 pt-20 -75.98 -22.63 55.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 118.086 0.403 . . . . 0.0 111.129 -170.829 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.434 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 99.7 mtt180 -83.78 12.18 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.248 -178.344 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.614 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 41.8 ttm105 -64.41 112.48 3.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.267 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -101.96 -11.55 18.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 -175.31 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.3 p -114.73 113.5 44.79 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.61 129.45 33.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.377 2.051 . . . . 0.0 111.397 177.297 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.62 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.8 t -60.26 -19.44 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.005 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.55 -56.3 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.051 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.3 -28.29 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -178.143 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.2 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 176.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.62 ' HG3' HG12 ' A' ' 140' ' ' VAL . 79.1 mtp180 -69.38 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.115 179.163 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -56.08 -56.77 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 174.818 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 149' ' ' GLU . 31.0 mmtm -59.4 -39.02 82.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.732 -178.904 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.08 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 175.537 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.95 -37.35 84.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.771 179.338 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 146' ' ' LYS . 42.0 mt-10 -64.02 -37.65 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 179.35 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -88.5 -7.06 57.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 -178.059 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.52 52.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.184 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.52 177.56 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.702 0.287 . . . . 0.0 111.147 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 124' ' ' LEU . 3.5 pt20 -98.81 161.4 13.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.826 178.198 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CE2' HG11 ' A' ' 140' ' ' VAL . 91.6 t80 -131.92 121.59 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 175.149 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.26 134.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.272 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.17 135.0 33.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 174.898 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 40.2 p -118.82 145.3 45.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.22 0.533 . . . . 0.0 110.873 -177.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.2 p -126.83 113.39 16.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.159 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.76 1.17 31.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.518 0.675 . . . . 0.0 109.728 176.386 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 131' ' ' ASP . 21.5 tptm -80.11 -68.74 0.65 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.206 178.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.0 p -93.7 0.23 56.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.301 -179.281 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 60.48 75.21 0.42 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.333 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.77 129.56 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.445 177.455 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 69.43 4.31 4.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.877 0.735 . . . . 0.0 111.794 177.869 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.423 HG11 HD21 ' A' ' 30' ' ' LEU . 95.8 t -65.18 -49.7 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -177.223 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.03 -23.42 58.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -177.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.85 -54.52 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.601 -176.927 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.33 -28.2 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.281 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -74.71 -48.03 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 177.164 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.61 -45.13 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.408 -178.576 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.8 70.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.749 -177.823 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.04 -36.16 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 -177.106 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.429 ' HG3' ' ND1' ' A' ' 15' ' ' HIS . 10.7 ttp -70.08 -31.3 68.82 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -178.836 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.714 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 6.6 mmt180 -63.95 -41.6 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.908 176.574 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -59.75 -32.35 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.132 177.249 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.3 mt -58.06 -36.49 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -178.602 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 20.6 ptt180 -68.11 -32.34 72.58 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 -179.036 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.0 m -70.55 -36.09 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -66.33 -39.17 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.194 175.192 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.616 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 66.2 mmtt -62.69 -54.64 36.3 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 110.768 177.334 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.546 ' HA ' HE22 ' A' ' 9' ' ' GLN . 65.0 mtt -69.59 -26.05 64.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.958 -174.352 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.7 m 68.3 174.24 0.28 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.683 0.615 . . . . 0.0 110.557 -175.147 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.24 79.05 3.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.321 0.581 . . . . 0.0 111.318 -173.239 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.52 25.32 0.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 173.006 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.517 ' HG3' ' HB3' ' A' ' 181' ' ' MET . 73.9 mmtt . . . . . 0 C--O 1.246 0.912 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.869 -174.545 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.5 p -92.35 14.75 15.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.701 0.25 . . . . 0.0 111.619 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.444 ' O ' ' HB ' ' B' ' 394' ' ' THR . 35.1 tt0 -61.29 123.39 17.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.917 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.585 ' O ' HG12 ' B' ' 398' ' ' ILE . 51.3 m 75.78 -45.57 0.54 Allowed 'General case' 0 C--N 1.334 -0.098 0 O-C-N 123.491 0.494 . . . . 0.0 110.542 -177.466 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 34.4 tt0 -55.01 -41.21 71.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.124 0.487 . . . . 0.0 110.221 178.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.14 87.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.314 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.44 94.78 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.019 178.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.585 HG12 ' O ' ' B' ' 394' ' ' THR . 37.9 mm -58.27 -55.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.128 175.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.61 ' HA ' HD13 ' B' ' 402' ' ' ILE . 52.4 mtpt -60.92 -42.09 97.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.91 -174.44 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -64.22 -39.21 93.49 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.295 -178.709 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.548 ' HB3' HD23 ' B' ' 439' ' ' LEU . 3.1 mm-40 -71.5 -36.9 71.26 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.523 175.703 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.674 HG12 ' HB3' ' B' ' 439' ' ' LEU . 97.1 mt -53.94 -54.21 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 172.739 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -62.77 -30.05 71.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -178.882 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.51 ' HD2' ' OE1' ' B' ' 401' ' ' GLU . 22.6 ttm180 -71.41 -44.73 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 178.393 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 83.6 mm-40 -71.41 -34.11 70.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.27 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.2 mt-10 -62.7 -40.17 96.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.211 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.16 -44.4 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.701 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.9 mt -60.63 -45.46 93.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.296 177.63 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 15.0 tp -65.2 -45.63 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 0.0 109.708 179.194 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -56.34 -52.43 64.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.217 178.007 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -40.05 96.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.906 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.54 HD12 ' HG ' ' B' ' 429' ' ' LEU . 0.5 OUTLIER -52.62 -50.72 62.53 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.196 0.522 . . . . 0.0 110.397 170.766 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 75.1 m-70 -67.83 -32.99 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.185 -177.415 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -75.71 -44.7 40.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -179.309 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.34 -46.44 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.483 0.658 . . . . 0.0 110.945 -177.139 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 69.7 mt -73.66 -25.77 60.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.914 -176.097 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 22.6 tt0 -54.11 -25.21 20.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.121 0.569 . . . . 0.0 112.233 -173.857 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.39 -5.17 85.44 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.252 -178.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.74 27.85 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.73 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 60.1 mt -99.58 131.48 46.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.557 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.425 ' O ' ' HD2' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -134.0 145.34 49.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.774 0.797 . . . . 0.0 112.41 -177.244 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.6 t70 -149.8 170.57 18.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.161 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.79 -29.9 66.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.482 0.658 . . . . 0.0 109.236 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 7.4 m -66.02 -39.48 90.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.53 -177.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.642 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.97 -38.98 89.95 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.066 -172.544 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.642 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.9 pt-20 -73.31 -40.48 64.47 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.782 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -63.24 -42.18 99.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 176.682 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.634 ' O ' HG21 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.56 -42.37 82.72 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.324 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 81' ' ' ASN . 7.5 mt -56.03 -51.82 66.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -178.24 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 77.9 m95 -65.48 -31.46 72.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 178.264 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.894 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 42.3 tt0 -65.85 -49.34 68.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 178.439 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.634 HG21 ' O ' ' B' ' 428' ' ' ARG . 37.7 t -57.39 -41.55 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.485 0.659 . . . . 0.0 109.414 177.093 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.622 ' NE2' ' HB ' ' B' ' 437' ' ' THR . 19.6 tp60 -56.77 -43.0 80.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.697 178.076 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.894 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 55.3 mtp180 -55.5 -51.73 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.408 0.623 . . . . 0.0 110.375 179.294 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' B' ' 432' ' ' VAL . 5.7 mt -64.65 -50.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.544 -177.323 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.578 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 23.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.559 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.622 ' HB ' ' NE2' ' B' ' 433' ' ' GLN . 5.6 t -66.39 -37.59 85.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -175.563 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.43 -35.97 76.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.36 0.6 . . . . 0.0 109.913 176.467 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.674 ' HB3' HG12 ' B' ' 402' ' ' ILE . 4.6 mp -65.94 -37.67 86.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.519 177.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 68.2 mmtt -59.05 -43.56 91.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.653 0.74 . . . . 0.0 109.336 175.349 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -62.85 -47.88 81.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.179 177.751 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.8 mmmt -65.57 -25.0 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.299 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.622 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.3 tp -62.3 -44.34 96.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.025 0.44 . . . . 0.0 110.178 172.723 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -81.99 -5.65 58.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 110.454 178.761 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' B' ' 442' ' ' LYS . 1.8 tp10 -80.73 -35.66 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.971 177.383 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.447 ' HB1' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.654 -177.351 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.516 ' C6 ' ' HA ' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -76.53 -59.43 2.77 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.617 0.208 . . . . 0.0 111.058 179.383 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -177.51 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.119 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 m -109.95 4.31 21.34 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.087 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt 72.17 -54.29 0.68 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.679 -178.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . 63.15 17.04 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.461 0.705 . . . . 0.0 112.801 175.05 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD13 ' HE3' ' A' ' 16' ' ' LYS . 30.2 tp -122.61 127.66 49.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.108 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 93.0 m-70 -137.46 138.72 40.05 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.949 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -130.36 127.03 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.467 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -136.47 140.48 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -120.2 137.69 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.2 mmm -88.65 124.72 34.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.808 179.211 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG22 HD21 ' A' ' 91' ' ' LEU . 28.8 m -105.26 143.83 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 111.104 -179.081 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.17 161.38 11.11 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.114 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 12.4 t -81.44 70.47 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.501 0.651 . . . . 0.0 110.323 -175.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 -67.4 3.51 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.708 177.009 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.561 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -79.3 -105.1 0.23 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 121.392 -0.433 . . . . 0.0 112.836 -178.064 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 25' ' ' VAL . 21.8 t 56.99 16.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 -176.722 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.68 32.65 25.26 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.531 -178.538 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 27.7 mtmm -68.13 -43.29 78.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -175.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.734 -174.608 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.94 83.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.987 -178.532 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.19 -41.97 63.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 -177.967 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.6 p -71.12 -31.34 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.039 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.2 -42.47 88.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.373 178.014 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 94.1 mt-30 -71.02 -26.52 63.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 0.0 110.968 178.179 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -72.76 -30.63 64.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 177.475 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.445 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.1 mtm -98.81 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.454 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -83.72 -26.22 29.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.001 -177.165 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.9 t0 68.3 21.21 8.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.511 -179.164 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.233 176.123 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -76.37 140.07 41.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.229 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.77 111.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.713 0.768 . . . . 0.0 112.298 -172.901 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -106.11 -39.64 5.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.528 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -149.38 96.22 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.057 176.144 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -167.89 91.29 0.33 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.713 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 6.6 mm-40 -103.96 -39.37 0.19 Allowed Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.559 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 3.9 Cg_endo -46.97 101.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.665 2.243 . . . . 0.0 113.194 179.112 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.592 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.05 39.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.104 176.549 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.31 -54.29 4.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.723 0.773 . . . . 0.0 108.979 -177.415 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.46 7.78 8.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.591 172.219 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.5 m-20 -79.39 121.37 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.157 -171.333 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.776 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 12.2 t -133.64 150.33 51.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.382 178.445 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -137.52 137.88 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.692 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -88.58 118.18 28.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.644 -178.122 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.445 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 60.8 tptt -103.14 128.19 50.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.607 -179.578 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -107.12 130.44 54.69 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.323 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.411 ' O ' HG21 ' A' ' 62' ' ' VAL . 14.2 m -132.29 145.95 33.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.785 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.5 p -100.97 104.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.788 0.804 . . . . 0.0 109.482 178.148 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 tp -96.74 108.43 21.08 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.017 -175.113 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 73.63 -29.56 0.2 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.183 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.22 -42.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.805 -1.188 . . . . 0.0 113.784 -178.338 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.02 149.02 24.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.457 0.629 . . . . 0.0 111.081 -178.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.0 mt-10 -81.78 122.09 27.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.555 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -107.09 149.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.923 -177.187 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.83 117.77 32.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 110.922 -178.211 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.553 HD13 ' SD ' ' A' ' 173' ' ' MET . 18.5 tt -114.68 139.46 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 -178.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.949 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 51.9 t0 -108.47 116.88 32.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.484 -176.02 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.9 mm -109.07 126.93 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.28 -171.758 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD13 ' CH2' ' B' ' 430' ' ' TRP . 3.0 mt -131.04 126.29 35.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.249 0.547 . . . . 0.0 111.312 173.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' OD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 t0 -100.58 145.46 28.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.549 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 p -124.41 151.6 44.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.302 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.53 111.2 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.379 171.453 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -83.43 63.66 4.43 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.731 -176.056 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -129.75 168.03 17.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.682 0.277 . . . . 0.0 110.977 -179.653 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.2 -12.41 54.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 72' ' ' LEU . 8.4 m-20 -64.9 -78.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.345 -177.632 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' H ' HD11 ' A' ' 72' ' ' LEU . 87.0 m-85 -85.09 81.33 8.91 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.051 -175.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.7 -18.58 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 175.626 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.822 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -70.25 -7.03 39.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.813 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.7 mt -99.51 -40.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.763 177.844 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 36.0 ptt180 -85.19 -64.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.825 -176.463 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 4.1 t70 -60.62 -43.74 97.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.818 0.818 . . . . 0.0 111.102 -177.027 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.822 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 44.7 m-80 -75.68 -27.2 58.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.41 -168.723 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.39 -34.86 15.49 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.912 175.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.628 ' HB3' HG22 ' A' ' 114' ' ' VAL . 5.7 m-30 -60.08 -22.84 63.25 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.48 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.702 HH21 ' HA ' ' A' ' 115' ' ' LYS . 3.7 mmp_? -56.78 -73.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.479 178.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.8 m -81.54 14.31 2.61 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.895 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.417 ' O ' ' HE2' ' A' ' 115' ' ' LYS . . . -99.66 104.07 2.79 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.637 178.53 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.47 -60.8 2.17 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.14 144.18 16.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.597 -0.811 . . . . 0.0 113.137 -174.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.99 136.92 49.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 111.067 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' O ' HG21 ' A' ' 20' ' ' VAL . 86.6 mt -106.25 112.75 25.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.161 175.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.543 HD21 HG22 ' A' ' 20' ' ' VAL . 58.3 mt -83.96 106.77 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.249 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.4 t -111.4 142.98 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.704 -174.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -155.65 144.51 20.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.526 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.536 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 29.6 t -83.57 138.9 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.778 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.646 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -70.35 -7.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.827 0.346 . . . . 0.0 111.622 -178.462 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.466 ' CG2' HD23 ' A' ' 132' ' ' LEU . 16.8 p -84.83 -19.05 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.249 0.547 . . . . 0.0 109.914 173.737 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 45.4 mt-10 -103.33 100.36 10.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.326 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.12 -25.1 65.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.986 176.701 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.16 -49.2 46.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.103 -179.758 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -58.09 -36.92 73.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.723 0.297 . . . . 0.0 110.577 176.595 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.53 -40.23 93.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 176.658 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.2 m -76.0 -33.29 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.321 0.581 . . . . 0.0 110.495 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.83 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.211 -178.119 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.8 p -56.81 -37.84 71.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.0 110.494 178.661 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.1 98.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.335 177.33 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.44 -45.73 91.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.939 178.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.434 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.1 m-85 -58.69 -49.75 76.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.58 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 108' ' ' ARG . 34.8 ttt180 -53.78 -54.28 40.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.964 -178.347 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.53 -28.62 67.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.085 -176.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.1 -35.47 74.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.452 . . . . 0.0 110.027 178.564 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.2 mt -62.44 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.416 175.598 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.54 -26.11 68.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 177.734 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.58 -49.09 28.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 177.409 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.628 HG22 ' HB3' ' A' ' 83' ' ' PHE . 27.0 m -74.88 -23.94 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.806 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.767 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 38.4 mttm -106.55 -85.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.65 -73.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.682 0.793 . . . . 0.0 113.07 -178.851 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.39 59.1 5.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.503 . . . . 0.0 111.334 -174.59 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.767 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 14.5 mm-40 -114.9 -170.37 1.73 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -77.57 -71.93 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 172.466 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.675 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 31.8 mmmt -143.28 153.44 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.5 mt -122.35 105.94 36.04 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.378 -0.374 . . . . 0.0 109.992 177.594 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.49 ' HB2' HD11 ' A' ' 172' ' ' LEU . 55.8 Cg_endo -90.72 132.93 1.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.268 2.646 . . . . 0.0 112.667 179.526 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.522 HD23 HD13 ' A' ' 91' ' ' LEU . 5.6 mp -129.0 142.41 50.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 111.09 -178.598 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.701 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.4 tp -136.17 125.07 24.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.24 174.453 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.3 t -92.58 125.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.959 -178.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.7 t -118.14 116.4 51.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.947 -176.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.48 102.23 2.89 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 173.15 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' A' ' 157' ' ' THR . 32.9 p-10 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.464 0.649 . . . . 0.0 112.353 -168.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 131' ' ' ASP . 54.6 mttt 70.28 57.36 0.27 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.299 177.122 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -78.74 15.79 0.99 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.271 0.558 . . . . 0.0 110.096 176.4 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 129' ' ' LYS . 18.7 t70 -75.5 -25.08 56.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.563 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.532 HD12 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -73.06 -57.8 3.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.414 177.476 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 65.26 -67.02 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.765 0.826 . . . . 0.0 112.279 -179.465 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.862 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.0 pt-20 -57.74 -29.38 64.72 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.083 0.468 . . . . 0.0 111.957 -176.617 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.862 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 74.8 mtt180 -100.28 17.77 20.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.655 -171.823 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.646 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 35.4 ttm180 -63.93 111.97 2.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.274 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -86.13 -33.58 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.057 -172.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.87 122.42 42.54 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.468 179.424 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.17 113.27 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.409 2.073 . . . . 0.0 111.314 176.776 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -72.27 -12.02 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.085 0.469 . . . . 0.0 110.795 -171.889 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.46 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.544 177.63 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.37 -20.59 54.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.69 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.41 80.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 109.939 175.394 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 69.2 mtp180 -68.03 -32.56 73.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.804 176.152 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.8 t -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.453 177.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.85 -40.27 94.75 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 175.599 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.63 -37.93 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 176.517 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.4 -42.26 96.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.051 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.25 -40.43 90.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.968 179.596 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -85.76 -5.67 59.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 0.0 111.407 -175.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.95 35.94 80.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.185 -179.21 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 -174.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.751 0.31 . . . . 0.0 110.244 -178.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.701 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.3 pm0 -113.39 154.26 27.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 176.758 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -123.95 125.69 45.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.979 178.542 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.3 t -132.32 129.33 59.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -178.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.79 125.94 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.917 0.389 . . . . 0.0 110.562 175.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.588 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 93.1 m -125.47 137.47 53.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.578 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.06 110.95 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 -178.314 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.71 -14.43 59.95 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.417 -178.521 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -78.49 -4.55 49.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.741 -176.555 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 7.1 0.79 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.868 -177.719 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 62.94 33.8 14.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.267 175.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.91 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.527 -176.981 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 67.24 18.17 10.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.745 175.187 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 -47.34 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.083 0.468 . . . . 0.0 110.647 -177.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -76.29 -27.4 56.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.976 -178.218 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.27 -50.08 70.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.795 -177.428 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.0 -32.72 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.32 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -73.35 -55.95 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.375 -179.517 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.406 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 52.9 m-85 -61.91 -31.75 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 -176.643 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -51.92 62.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -178.894 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.6 tp -67.93 -31.25 70.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.316 0.579 . . . . 0.0 110.253 -179.783 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.553 ' SD ' HD13 ' A' ' 64' ' ' ILE . 67.4 mtp -62.17 -32.04 72.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.487 179.186 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 24.6 mmt180 -61.33 -49.82 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.814 179.701 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.753 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 8.6 mm-40 -57.24 -35.88 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.426 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 65.0 mt -55.33 -27.42 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.902 0.382 . . . . 0.0 111.579 -175.074 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -70.23 -51.89 27.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 0.0 110.274 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.5 m -65.45 -30.74 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.504 -174.306 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.753 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 59.1 mmtt -64.55 -39.8 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -74.14 -33.01 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.36 -179.69 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtt -81.14 -5.61 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 12.4 t 65.81 -170.84 0.19 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.714 178.381 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -93.5 -2.49 54.33 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.719 0.771 . . . . 0.0 109.093 177.284 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -98.39 20.56 12.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.542 -176.781 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 182' ' ' SER . 2.7 ptmm? . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.453 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 30.5 t -85.94 117.05 24.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.739 0.304 . . . . 0.0 110.607 -179.909 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -101.63 -76.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.433 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.433 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 17.0 m -101.99 -6.73 23.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.561 0.696 . . . . 0.0 109.763 178.608 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -61.84 -26.77 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.38 21.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.55 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.36 -32.42 83.56 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.881 179.017 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.417 HG12 ' O ' ' B' ' 394' ' ' THR . 45.0 mm -64.11 -46.22 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.52 -38.89 92.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.5 0.191 . . . . 0.0 111.233 -179.367 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.37 -45.5 93.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 109.755 175.315 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.92 -44.5 80.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.287 -178.896 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.554 ' HA ' HD21 ' B' ' 439' ' ' LEU . 65.1 mt -54.13 -53.68 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.988 177.016 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -59.93 -33.56 72.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 0.0 111.019 -179.312 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -63.21 -47.41 82.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.77 176.311 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.641 ' NE2' HG21 ' B' ' 432' ' ' VAL . 16.2 mm100 -76.75 -31.58 57.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.662 -177.145 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.4 mt-10 -65.57 -36.29 83.34 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.044 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -67.98 -39.21 83.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.482 176.648 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.619 ' HB2' HG23 ' B' ' 432' ' ' VAL . 64.6 mt -60.49 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 175.031 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.0 tp -61.79 -43.64 98.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.554 0.692 . . . . 0.0 109.313 178.224 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.62 -44.17 80.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.789 176.336 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 13.3 t -62.36 -53.17 58.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.917 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.569 HD21 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -53.26 -41.97 66.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 110.776 176.043 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.0 m-70 -65.88 -32.25 73.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.668 178.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -79.46 -51.88 8.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.724 0.297 . . . . 0.0 111.662 177.496 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.9 -55.0 29.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.999 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' B' ' 412' ' ' LEU . 3.1 mp -65.52 -25.55 67.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.427 -175.677 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.628 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.5 tt0 -61.96 -18.29 59.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.195 -177.947 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.88 -6.78 73.89 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.653 179.566 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.73 14.51 40.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.17 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.16 124.72 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.751 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.4 pttp -126.79 144.3 51.0 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.346 1.07 . . . . 0.0 113.019 -178.232 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.593 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 13.0 t70 -150.46 170.35 19.29 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.045 178.517 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.04 64.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 171.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 70.4 m -65.37 -32.06 73.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.545 -178.73 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.0 OUTLIER -71.6 -35.98 70.68 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.271 -172.733 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.615 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 13.1 pt-20 -72.31 -42.8 65.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.145 178.21 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.21 -49.48 77.45 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 179.016 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.402 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.9 tpt180 -62.23 -39.81 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.772 -177.014 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.592 HD12 ' HB3' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -60.88 -55.81 28.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.104 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.624 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 74.6 m95 -63.11 -37.03 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.63 179.303 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.89 -55.57 32.56 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -176.859 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.641 HG21 ' NE2' ' B' ' 405' ' ' GLN . 7.6 p -63.15 -33.41 60.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.776 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 37.3 tp60 -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.944 178.106 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.65 ' HA ' HG21 ' B' ' 437' ' ' THR . 1.9 mpt_? -65.21 -34.92 79.5 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.355 -176.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 432' ' ' VAL . 54.6 mt -61.13 -43.28 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 175.157 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.441 HD22 ' HG2' ' B' ' 406' ' ' GLU . 46.9 tp -65.23 -46.11 81.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.004 178.428 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.65 HG21 ' HA ' ' B' ' 434' ' ' ARG . 15.3 t -65.85 -35.91 81.98 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.946 0.403 . . . . 0.0 110.404 -176.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.55 -36.13 78.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.956 0.408 . . . . 0.0 109.958 173.905 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.554 HD21 ' HA ' ' B' ' 402' ' ' ILE . 1.1 mp -65.89 -34.73 78.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.619 178.736 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -65.81 -36.39 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.317 0.58 . . . . 0.0 109.762 175.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.32 -41.08 85.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.049 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.5 mmmt -58.05 -36.72 73.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.998 175.087 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.404 ' HB2' HD13 ' B' ' 402' ' ' ILE . 56.0 tp -60.91 -40.32 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.853 177.583 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -79.16 -12.29 59.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 179.191 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.58 -20.9 17.38 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -178.675 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.433 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.876 -173.084 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.622 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HA ' HD12 ' A' ' 12' ' ' LEU . 30.9 tt0 -127.87 22.46 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.533 . . . . 0.0 109.891 -176.769 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.367 -175.605 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 t -113.76 42.23 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 0.0 110.579 -174.401 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 9' ' ' GLN . 68.8 mt -125.41 25.69 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.589 -179.365 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.89 3.74 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.325 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -139.94 106.97 5.43 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.048 179.029 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.64 151.69 29.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.139 -173.087 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 2.2 mmtp -118.38 122.69 43.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.765 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 HD12 ' A' ' 64' ' ' ILE . 69.4 t -116.19 118.86 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.398 . . . . 0.0 110.861 179.718 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.58 126.65 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.322 179.16 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.796 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 62.6 mtt -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 176.032 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.69 HG21 ' HA ' ' A' ' 91' ' ' LEU . 33.6 m -110.98 177.14 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.211 175.3 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.81 160.36 9.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.118 -0.563 . . . . 0.0 111.981 178.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -83.54 45.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.938 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.91 -56.03 0.75 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.11 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.72 111.88 0.33 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.0 t -88.95 -68.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.937 0.399 . . . . 0.0 110.312 176.916 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.87 34.88 1.98 Allowed Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.208 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.796 ' HE3' ' HB2' ' A' ' 19' ' ' MET . 26.2 mttp -58.71 -74.81 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 111.102 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 16.9 p -69.11 -11.92 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.184 -175.701 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.95 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.458 . . . . 0.0 110.357 175.072 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.76 -38.98 67.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.528 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 69.8 p -67.0 -40.35 87.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.505 -176.886 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.12 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.082 178.367 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -65.03 -40.95 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 110.292 174.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE2' ' HG2' ' A' ' 53' ' ' LYS . 64.6 t80 -72.72 -22.9 60.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.531 -177.836 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 67.5 mtm -104.93 -53.75 2.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.628 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -102.37 -11.72 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.486 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 67.01 32.09 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.787 0.803 . . . . 0.0 110.236 -178.098 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -135.0 142.24 46.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.101 -178.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -78.52 144.12 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.484 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.35 116.39 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.804 0.812 . . . . 0.0 112.569 -176.002 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -117.78 -44.12 2.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.675 171.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -127.1 107.62 10.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.749 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -169.71 91.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.739 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.7 mm-40 -74.57 -51.16 4.25 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.561 -177.776 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 9.3 Cg_endo -52.77 106.68 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 111.712 177.294 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -158.21 1.5 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.097 -176.187 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.52 -54.55 4.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -125.48 -40.85 2.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.125 176.91 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' OD2' ' HE3' ' B' ' 440' ' ' LYS . 16.1 t70 -59.07 122.11 12.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -174.876 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -134.15 -175.47 3.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.101 -176.614 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.474 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 8.4 t80 -143.21 146.85 34.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -176.124 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -92.62 140.72 29.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.552 178.072 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HG2' ' CE2' ' A' ' 34' ' ' PHE . 48.9 tptt -116.69 136.78 52.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -177.248 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 19.5 mttp -97.78 131.06 44.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.124 0.488 . . . . 0.0 110.554 170.864 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG23 ' HE2' ' A' ' 173' ' ' MET . 16.0 m -136.23 145.47 30.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.88 176.676 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.62 108.64 4.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 121.321 0.582 . . . . 0.0 110.643 177.131 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -93.28 96.94 10.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.912 179.193 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 39.69 67.75 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.368 1.043 . . . . 0.0 111.871 -178.637 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.22 -122.71 0.94 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.968 -179.859 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -113.25 162.93 15.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.162 0.481 . . . . 0.0 110.112 -177.603 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -59.74 119.35 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.316 0.579 . . . . 0.0 111.955 -176.303 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 t -107.63 148.61 11.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.067 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -117.15 140.05 50.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.38 0.609 . . . . 0.0 112.057 -176.7 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 HD12 HG23 ' A' ' 17' ' ' VAL . 4.8 tt -134.73 125.87 46.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.188 -179.41 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -94.02 128.43 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.473 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -108.15 129.75 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.364 -177.727 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.65 124.68 51.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.029 0.443 . . . . 0.0 111.814 -177.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.3 t0 -94.71 158.54 15.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 171.815 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.0 p -142.67 141.86 31.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.771 0.32 . . . . 0.0 111.819 -171.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -78.58 96.47 5.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 165.741 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.21 71.07 1.79 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.056 -175.422 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -149.94 173.39 13.86 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.54 -20.05 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.581 -173.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' HB2' HD12 ' A' ' 72' ' ' LEU . 4.2 m-20 -60.11 -67.24 0.41 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.204 0.526 . . . . 0.0 110.942 179.355 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -80.41 63.88 5.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.313 -178.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.84 63.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.733 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -58.1 -23.77 56.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.997 176.556 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.651 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 33.9 mt -93.24 -21.84 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.623 -179.053 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -83.51 -63.48 1.35 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.725 179.049 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.499 ' HA ' HG13 ' A' ' 114' ' ' VAL . 20.9 m-20 -68.06 -57.96 5.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.201 0.524 . . . . 0.0 111.808 -172.434 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.733 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 13.2 m-80 -71.17 -40.08 71.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.243 -168.544 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.651 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 11.5 m-85 -72.25 -25.91 61.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.554 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.418 ' HB2' HG21 ' A' ' 114' ' ' VAL . 5.8 m-30 -75.15 -5.73 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 111.436 -177.665 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -70.06 -63.44 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.404 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.9 m -83.83 14.02 4.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -171.663 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.41 135.44 12.19 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.645 177.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.523 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 2.1 mt-10 -80.39 -69.42 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.853 0.327 . . . . 0.0 111.259 -177.803 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.62 152.22 19.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.064 -174.115 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HB2' HD22 ' A' ' 123' ' ' LEU . 94.2 m-85 -128.2 135.96 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 -178.152 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 93.6 mt -106.69 115.42 30.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.018 177.219 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.69 ' HA ' HG21 ' A' ' 20' ' ' VAL . 40.5 mt -83.71 106.41 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.031 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG21 ' HB ' ' A' ' 126' ' ' VAL . 40.3 t -109.91 127.68 66.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.409 -173.162 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.436 ' HA ' HG21 ' A' ' 25' ' ' VAL . 43.9 p90 -138.96 175.37 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.026 176.159 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.86 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 43.3 t -122.84 151.33 41.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.301 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.83 1.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -177.573 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.566 ' CG2' HD11 ' A' ' 132' ' ' LEU . 31.8 p -108.98 -29.99 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.278 0.561 . . . . 0.0 109.907 169.84 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.86 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.0 mm-40 -82.35 77.07 9.18 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.801 179.78 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -65.91 -26.05 67.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 -177.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.51 -44.55 90.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.495 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.9 m -66.56 -32.41 73.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 176.966 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.9 -43.68 98.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 177.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -77.25 -30.2 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 110.921 179.038 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.47 62.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.191 -178.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -53.95 -33.17 56.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.927 0.394 . . . . 0.0 111.263 178.45 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.34 88.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.778 177.799 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.18 -40.02 93.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 178.448 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 22.7 m-85 -57.39 -45.03 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.66 -177.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.01 -54.04 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 110.257 179.092 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.27 -28.65 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.14 -33.95 72.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.001 179.359 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.2 mt -71.8 -40.99 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.15 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.616 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.2 mp -71.71 -11.13 60.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.145 0.498 . . . . 0.0 111.056 176.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -79.4 -26.26 41.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.273 177.152 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' A' ' 80' ' ' ASP . 17.6 m -110.85 -23.23 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.63 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 43.4 mtmt -137.88 135.94 36.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.133 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.54 -76.18 0.48 Allowed 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.456 178.75 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.26 35.09 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -173.916 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -58.39 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -171.5 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.377 176.214 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.576 ' HG3' ' HD2' ' A' ' 179' ' ' LYS . 35.7 mmtm -144.43 150.33 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 175.271 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 111' ' ' ILE . 62.9 mt -120.61 92.29 47.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.043 178.339 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.68 125.1 10.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.079 2.519 . . . . 0.0 112.013 -178.462 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 89' ' ' PHE . 93.8 mt -119.21 122.44 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.15 0.5 . . . . 0.0 111.161 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.689 HD11 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -121.29 122.82 40.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.013 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 t -86.67 127.18 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.161 -177.465 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.554 ' HB ' HG21 ' A' ' 92' ' ' VAL . 58.8 t -117.65 116.14 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.73 -176.72 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.05 124.53 8.16 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 175.749 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -120.36 176.23 5.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.179 0.49 . . . . 0.0 110.016 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.559 ' HG3' ' C5 ' ' A' ' 500' ' ' GNP . 2.0 mptm? 66.93 27.65 8.84 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 123.586 0.554 . . . . 0.0 110.837 -176.235 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -10.01 4.14 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.723 178.468 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.504 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . 30.1 t70 -67.1 -20.43 65.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.909 176.023 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.566 HD11 ' CG2' ' A' ' 96' ' ' THR . 40.1 mt -78.52 49.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.568 174.103 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.36 -25.91 68.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.041 -176.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.37 -26.18 13.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 -177.003 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -91.73 11.37 24.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.17 179.222 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 136' ' ' ARG . 45.2 ttp180 -61.9 112.15 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.428 . . . . 0.0 110.332 -177.593 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -94.75 -29.23 14.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.444 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 7.2 p -111.41 121.4 40.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.328 175.734 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.91 121.3 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.662 2.241 . . . . 0.0 111.854 178.069 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.48 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.5 OUTLIER -71.16 -13.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.457 0.646 . . . . 0.0 109.702 -178.363 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.6 -49.88 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.869 176.556 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.97 -22.74 49.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.72 94.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.928 174.052 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.46 -33.35 75.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.435 174.168 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.1 t -62.79 -42.31 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.29 179.441 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -54.47 -40.03 68.04 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 154' ' ' TYR . . . -57.15 -47.72 80.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.048 0.451 . . . . 0.0 110.725 177.245 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.78 -33.78 74.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.338 179.23 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.5 -42.0 98.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.604 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.414 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 42.2 m0 -87.44 -17.21 32.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.283 -176.85 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.67 32.45 18.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.887 -179.027 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.18 -168.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.711 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.689 ' HG2' HD11 ' A' ' 124' ' ' LEU . 2.7 pm0 -116.74 153.68 31.96 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.588 173.889 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.48 ' HE2' HG22 ' A' ' 140' ' ' VAL . 41.4 t80 -133.53 125.21 28.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.396 177.477 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.76 134.39 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 -178.303 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -84.87 121.79 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.312 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.4 p -109.97 129.05 55.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 111.21 -177.147 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.4 m -112.17 99.21 7.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.892 178.558 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.63 -16.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -179.215 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -69.21 -42.51 75.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.585 -179.482 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.6 p -112.23 7.41 19.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.231 -178.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 54.7 73.29 0.41 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.121 -177.387 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.28 127.47 37.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 178.9 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 65.89 16.34 10.43 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.04 0.837 . . . . 0.0 111.768 178.334 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.93 -55.2 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.68 -25.23 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -179.184 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.91 -47.33 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.52 -32.52 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -69.63 -45.48 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.615 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 34.4 m-85 -68.81 -37.14 79.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.299 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.57 -51.1 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -178.596 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.62 -39.48 88.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.458 ' HE2' HG23 ' A' ' 55' ' ' VAL . 56.1 mtm -62.09 -31.1 71.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.419 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 8.4 mmm180 -71.29 -43.05 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.604 178.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.673 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 1.3 mt-10 -55.49 -43.53 75.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.57 176.402 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.9 mt -56.3 -47.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 123.548 0.53 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 173' ' ' MET . 69.1 mtt180 -56.15 -51.31 68.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.695 177.499 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.8 m -57.83 -38.48 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.68 -178.134 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.673 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 45.9 mmtm -64.64 -46.53 82.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.613 -179.461 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 43.4 mtpt -69.89 -31.62 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 -177.778 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.2 mtm -85.51 -1.75 57.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.292 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 12.2 t -65.91 -41.59 91.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.439 -178.174 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -146.62 -70.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.763 -178.505 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.54 25.45 13.12 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.861 -176.413 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.174 178.197 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 43.4 m 63.93 175.03 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.093 0.557 . . . . 0.0 111.879 -179.096 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 65.54 118.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.286 0.635 . . . . 0.0 111.198 -178.756 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 29.6 m 72.82 -46.62 0.65 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -176.088 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.494 ' O ' ' HB ' ' B' ' 398' ' ' ILE . 18.4 mt-30 -58.35 -32.03 68.16 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.122 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.577 ' HA ' ' HG2' ' B' ' 399' ' ' LYS . . . -65.27 -41.16 94.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.002 -176.531 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.0 -36.65 93.75 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 173.528 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.56 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.6 mm -60.71 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.195 -0.502 . . . . 0.0 109.909 174.553 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.577 ' HG2' ' HA ' ' B' ' 396' ' ' ALA . 11.6 mmmm -57.82 -44.56 86.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.552 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.33 -49.32 77.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.37 -179.351 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.416 ' HB3' HD13 ' B' ' 439' ' ' LEU . 0.4 OUTLIER -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.702 -178.481 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.56 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.7 mt -58.64 -52.88 54.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.622 0.249 . . . . 0.0 110.612 -178.641 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 403' ' ' ARG . 38.4 mtm-85 -62.9 -29.1 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -177.27 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.634 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 33.9 ttt180 -61.56 -51.01 70.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.931 0.395 . . . . 0.0 109.983 176.017 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.497 ' OE1' HG23 ' B' ' 432' ' ' VAL . 80.7 mm-40 -71.79 -29.58 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.518 -178.446 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.0 mt-10 -60.45 -41.82 94.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -71.95 -39.99 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.568 176.467 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.8 mt -62.22 -51.72 66.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.723 0.297 . . . . 0.0 110.951 -178.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.592 HD12 ' OH ' ' A' ' 82' ' ' TYR . 58.4 tp -62.03 -32.51 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.956 0.407 . . . . 0.0 110.186 176.801 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.51 -42.4 87.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.313 178.096 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 98.8 p -60.52 -48.72 80.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.602 -177.923 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.416 HD22 ' O ' ' B' ' 408' ' ' LEU . 3.5 mm? -57.65 -45.86 84.95 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.785 173.746 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.422 ' HE1' ' HB2' ' A' ' 48' ' ' ALA . 1.9 m170 -57.99 -47.28 83.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.303 -175.847 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -77.53 -35.07 53.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.637 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.39 -53.78 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.943 0.401 . . . . 0.0 111.577 -175.018 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.53 -34.09 77.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 -176.373 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.5 tt0 -61.92 -21.37 64.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.099 -177.572 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.82 87.17 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.828 -178.826 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.82 12.35 5.0 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.789 178.615 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 64.6 mt -106.95 136.41 42.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.444 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -163.34 140.79 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.443 0.639 . . . . 0.0 111.42 175.909 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 14.5 t70 -149.45 161.45 42.08 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.803 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.57 -31.79 70.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.163 0.506 . . . . 0.0 110.879 -177.388 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.39 -31.98 73.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.228 178.591 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 57.4 mmtt -72.78 -42.5 63.89 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.279 -176.779 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -47.07 82.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.497 -178.866 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -68.72 -37.42 79.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.874 -179.305 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.457 ' O ' HG11 ' B' ' 432' ' ' VAL . 18.0 mmt180 -64.43 -45.56 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.745 178.233 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' B' ' 429' ' ' LEU . 10.5 mt -55.96 -50.36 71.01 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 123.299 0.374 . . . . 0.0 111.642 -178.389 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.447 ' HE3' ' HD2' ' B' ' 434' ' ' ARG . 7.4 m95 -66.39 -44.25 83.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.508 179.898 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.433 ' O ' HG13 ' B' ' 435' ' ' ILE . 18.1 tp10 -60.45 -55.72 30.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.829 -0.168 . . . . 0.0 111.185 -175.034 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.576 ' HA ' HD13 ' B' ' 435' ' ' ILE . 11.5 p -62.34 -34.61 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.16 0.505 . . . . 0.0 110.467 -178.709 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.2 tp60 -56.61 -50.3 72.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.738 176.513 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.506 ' HA ' HG22 ' B' ' 437' ' ' THR . 18.1 mtp180 -69.04 -33.25 73.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 -177.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.576 HD13 ' HA ' ' B' ' 432' ' ' VAL . 38.9 mt -67.24 -45.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.23 176.632 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.29 -47.35 81.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 177.417 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.506 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.9 t -72.09 -34.27 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.76 0.314 . . . . 0.0 111.063 -176.388 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.89 -36.43 83.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.477 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.555 ' HB3' HG12 ' B' ' 402' ' ' ILE . 40.1 mt -69.78 -36.59 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.554 178.902 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.493 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 70.4 mmtt -59.35 -40.24 85.78 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.659 0.742 . . . . 0.0 109.037 173.57 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -66.37 -44.73 82.34 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.064 179.139 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -58.48 -33.07 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.344 177.811 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.472 ' HA ' HG23 ' B' ' 398' ' ' ILE . 46.7 tp -61.43 -55.07 35.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 178.586 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -82.05 -0.32 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 0.0 111.107 -179.767 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.57 -28.94 30.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.707 178.605 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.161 -177.365 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.761 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -164.72 150.97 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 111.275 -178.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 12' ' ' LEU . 40.2 m -92.01 12.86 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.998 175.672 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.6 t -78.43 20.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.74 0.781 . . . . 0.0 109.513 174.147 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 10' ' ' SER . 28.2 mt -116.6 3.95 13.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.742 179.561 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.81 10.91 12.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.547 -173.591 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 tp -110.98 125.55 53.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.852 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -135.1 144.45 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.351 -178.245 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.798 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.25 118.74 26.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.836 0.35 . . . . 0.0 110.224 173.399 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.5 129.12 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.489 0.661 . . . . 0.0 110.671 -179.036 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.94 120.96 60.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.838 178.178 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 87.1 mtp -96.63 114.84 26.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.261 0.553 . . . . 0.0 109.904 179.241 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -94.67 160.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.402 -171.869 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' O ' ' HA3' ' A' ' 71' ' ' GLY . . . 176.76 -167.03 38.22 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.051 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -142.46 -61.48 0.44 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.48 0.64 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.81 -111.55 1.59 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.11 178.661 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 -66.7 1.01 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.275 -178.919 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG12 HG22 ' A' ' 92' ' ' VAL . 98.0 t 71.36 -53.2 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 123.272 0.629 . . . . 0.0 111.779 178.924 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.574 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 108.01 19.36 9.1 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.474 -177.117 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.608 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.8 pttp -78.92 -23.02 44.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.232 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -69.75 -32.48 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.884 178.329 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.72 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.557 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.69 -36.3 78.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.736 -175.602 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.9 p -70.29 -44.16 68.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.159 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD12 HG22 ' A' ' 40' ' ' VAL . 6.4 tt -67.88 -35.91 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' OE1' ' HG2' ' A' ' 162' ' ' ARG . 81.1 mt-30 -65.57 -37.7 87.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.521 176.194 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.98 -34.02 68.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.558 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 61.0 mtm -73.85 -49.22 26.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.367 -179.839 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.455 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.8 m-85 -111.8 -76.65 0.59 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.047 -175.707 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 24.2 t70 168.45 -30.34 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.681 0.613 . . . . 0.0 111.047 -174.687 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -95.62 160.03 14.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.395 0.616 . . . . 0.0 112.036 -168.007 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.09 149.62 37.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.708 176.743 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.664 HG22 HD12 ' A' ' 32' ' ' LEU . 48.8 t -72.38 100.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 111.177 -179.123 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -79.86 -46.67 16.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.682 176.535 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.72 109.31 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 110.809 -178.821 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -172.86 91.24 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.946 176.344 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 40.7 tt0 -72.18 -63.29 1.28 Allowed Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.288 -176.001 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 26.6 Cg_exo -26.14 -103.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 125.001 3.8 . . . . 0.0 115.814 -167.755 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.539 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 24.2 p 45.23 40.07 4.74 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.016 0.526 . . . . 0.0 112.216 -178.478 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.04 -59.17 2.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.273 0.559 . . . . 0.0 109.761 179.17 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.16 7.94 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.17 171.669 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.74 125.13 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.415 -171.079 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' HD12 ' A' ' 67' ' ' LEU . 34.3 t -118.21 138.19 52.49 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.319 0.58 . . . . 0.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.44 145.18 33.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.465 178.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -105.87 154.25 20.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.253 0.549 . . . . 0.0 110.861 -176.34 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HG3' HG11 ' A' ' 55' ' ' VAL . 51.6 tptt -127.23 131.17 50.66 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.624 176.901 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.08 117.16 29.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.003 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.583 HG11 ' HG3' ' A' ' 53' ' ' LYS . 15.9 m -127.2 144.14 38.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.134 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG23 ' C ' ' A' ' 60' ' ' GLU . 7.5 p -110.66 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.656 0.741 . . . . 0.0 109.246 175.206 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.45 102.81 14.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.818 -179.708 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 77.6 -34.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.786 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.57 -70.29 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.042 -1.551 . . . . 0.0 115.587 -170.548 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -109.12 152.59 24.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.579 0.689 . . . . 0.0 111.612 -168.395 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.28 111.01 6.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.71 178.354 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 60' ' ' GLU . 40.6 t -106.68 141.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.077 -174.151 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.07 121.06 43.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.072 0.463 . . . . 0.0 110.154 -176.249 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 HD12 ' SD ' ' A' ' 173' ' ' MET . 16.2 tt -123.29 127.21 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -178.21 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.798 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 60.6 m-20 -87.64 129.28 35.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.949 177.893 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -107.64 128.24 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 50' ' ' SER . 45.0 tp -123.53 108.46 12.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.867 0.365 . . . . 0.0 110.369 176.968 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.539 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 28.4 t0 -94.7 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.111 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -93.81 147.58 22.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.132 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.09 124.68 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.636 169.957 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 21' ' ' GLY . . . -95.11 85.44 0.96 Allowed Glycine 0 C--O 1.235 0.201 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.772 -176.193 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 2.5 pt? -152.64 167.31 29.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -73.62 -23.62 59.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.135 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.5 m-20 -58.66 -66.64 0.46 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.141 -176.659 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HB3' HG13 ' A' ' 78' ' ' ILE . 72.0 m-85 -81.49 78.69 8.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.633 0.73 . . . . 0.0 111.4 -174.057 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -28.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.776 -179.636 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.74 -12.78 60.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 110.867 -179.404 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.697 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 17.0 mt -96.82 -32.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 178.773 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -92.08 -64.2 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.093 0.473 . . . . 0.0 110.567 178.194 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.64 -55.1 9.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.967 -174.306 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.849 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.3 m-20 -78.0 -18.01 56.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -171.187 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.697 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.09 -30.98 13.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.861 -0.524 . . . . 0.0 112.224 -175.926 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' HB2' HG22 ' A' ' 114' ' ' VAL . 12.6 m-30 -66.72 -25.19 66.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.21 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 1.6 tmt_? -59.47 -41.15 89.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.158 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.552 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -92.38 24.8 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.756 0.312 . . . . 0.0 111.621 -178.35 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.93 151.93 17.68 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -96.54 -71.23 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.594 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -110.72 154.66 16.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.219 -176.691 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -131.36 135.99 47.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.998 0.428 . . . . 0.0 111.075 -176.653 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 62.9 mt -104.52 107.58 18.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.211 177.65 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 8.0 mp -80.68 106.48 12.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.06 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 1.066 HG11 ' HB ' ' A' ' 126' ' ' VAL . 18.0 m -117.1 135.87 56.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.033 0.445 . . . . 0.0 110.285 -177.918 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -142.21 171.88 13.45 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 12.2 t -112.52 138.94 48.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.872 177.723 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.96 5.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.454 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 15.4 p -126.87 -0.57 6.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.174 0.511 . . . . 0.0 110.844 176.356 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 32.7 mt-10 -116.93 84.29 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.047 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.627 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 20.7 t-80 -59.02 -30.2 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.756 -170.637 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.26 -46.11 72.57 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 p -70.6 -27.97 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -177.358 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.64 -44.85 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.6 m -72.27 -32.98 67.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.027 0.441 . . . . 0.0 110.683 179.571 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.26 -13.94 62.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.212 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 p -51.1 -48.97 61.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.72 0.295 . . . . 0.0 111.628 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.53 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.61 -42.79 98.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.449 178.676 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -60.64 -51.73 68.13 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.56 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -50.75 -55.92 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.998 -177.472 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -37.43 78.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.927 -177.38 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.91 -34.8 71.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.756 0.312 . . . . 0.0 110.454 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.554 HG21 HD11 ' A' ' 121' ' ' ILE . 96.9 mt -61.86 -45.28 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.629 177.573 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -40.77 92.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.794 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -57.13 -47.54 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.762 -177.88 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 83' ' ' PHE . 33.1 m -81.09 -10.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.169 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.522 ' HB3' ' OE2' ' A' ' 118' ' ' GLU . 30.3 mtmt -126.9 -99.39 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.508 -178.625 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.62 -49.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 177.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.8 60.37 3.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.31 0.576 . . . . 0.0 110.886 -175.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 pt-20 -142.42 -157.93 0.82 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.15 179.668 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.46 -67.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.923 176.521 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 9.4 mmtp -160.68 138.24 9.41 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -176.634 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 111' ' ' ILE . 58.9 mt -98.65 109.38 52.95 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.559 177.345 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.594 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.2 Cg_endo -82.45 126.11 4.67 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 178.931 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.95 132.99 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.436 0.636 . . . . 0.0 111.002 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.7 HD12 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -129.75 118.04 21.22 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.785 172.867 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 17.5 t -90.39 127.36 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.923 -177.289 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 1.066 ' HB ' HG11 ' A' ' 92' ' ' VAL . 49.6 t -120.48 131.34 72.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.95 -175.535 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.97 122.49 7.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.726 178.455 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -113.38 177.58 4.58 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 69.32 16.84 8.32 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.185 0.594 . . . . 0.0 110.689 -179.164 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 m -65.33 -5.66 7.92 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.925 -177.855 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.67 -22.78 62.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.134 -179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.775 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 64.0 mt -68.22 -49.1 62.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.476 -179.103 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 62.04 -74.13 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 124.116 0.885 . . . . 0.0 112.494 178.191 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.98 -21.69 56.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.077 0.465 . . . . 0.0 110.952 -175.671 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.775 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 81.1 mtp180 -85.59 1.6 48.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.622 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -54.56 114.99 1.89 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.282 -176.824 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.627 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 35.9 tt0 -81.22 -39.35 25.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 -178.695 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.7 p -117.9 123.88 29.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 -179.338 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.7 126.08 21.09 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.053 2.502 . . . . 0.0 112.426 -179.553 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.4 -22.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.056 178.926 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.7 -53.07 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.863 179.559 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -73.46 -29.5 62.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.806 178.595 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.1 mtp180 -60.25 -40.81 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.378 0.609 . . . . 0.0 110.93 177.532 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -75.32 -31.82 60.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.453 -172.932 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.413 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 14.0 tppt? -63.38 -48.95 75.77 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.241 178.031 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.492 ' O ' HG21 ' A' ' 152' ' ' VAL . . . -65.18 -37.11 86.32 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.703 177.386 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.38 -37.97 85.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 -178.718 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.44 -25.62 66.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.43 178.166 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.413 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 48.4 m0 -84.01 -4.36 58.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.93 0.395 . . . . 0.0 110.447 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.96 20.02 76.63 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.851 -178.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 147' ' ' ALA . 15.6 m -110.76 -179.94 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.266 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.7 ' HG2' HD12 ' A' ' 124' ' ' LEU . 1.6 pm0 -110.63 149.68 30.08 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.458 177.088 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 86.9 t80 -121.89 122.64 39.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.871 176.642 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.423 ' HB ' HG13 ' A' ' 168' ' ' VAL . 40.4 t -122.77 135.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.309 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.9 143.91 27.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 178.691 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.2 p -131.12 154.75 47.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 178.414 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.2 m -133.35 103.56 6.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.618 176.735 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.71 6.92 13.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -178.891 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -87.1 -50.1 6.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.95 179.831 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 p -97.06 -2.61 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.425 ' HG2' ' OE1' ' A' ' 33' ' ' GLN . 87.6 mtm180 62.36 61.98 1.21 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.108 -175.243 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -121.71 134.71 54.95 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.843 -178.499 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 70.0 10.82 7.55 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.833 0.708 . . . . 0.0 111.667 176.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.76 -54.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.812 -176.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -74.16 -24.95 59.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 -178.514 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.7 -49.61 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.686 -176.897 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 155' ' ' VAL . 35.7 m -68.34 -24.75 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.902 -177.151 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -74.36 -56.33 4.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.483 179.188 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -63.09 -32.89 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.307 -175.198 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.19 -51.06 65.6 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.787 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.634 HD13 HD13 ' A' ' 176' ' ' ILE . 1.7 tm? -65.12 -39.17 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.896 177.352 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 64' ' ' ILE . 63.8 mtp -60.59 -31.25 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.478 -179.823 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -67.85 -48.09 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.812 176.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.654 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 4.3 mm-40 -52.61 -44.93 66.33 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 177.359 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.634 HD13 HD13 ' A' ' 172' ' ' LEU . 60.8 mt -58.89 -29.38 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.511 -177.246 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -65.1 -49.61 69.31 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.368 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.3 m -57.55 -32.4 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -178.204 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.654 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.1 mptt -70.28 -48.55 56.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.469 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 14.2 ptpt -75.83 -20.07 58.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.649 179.037 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.5 mtm -87.08 -1.58 57.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.563 0.221 . . . . 0.0 110.918 174.686 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 22.6 t -58.49 131.45 50.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.895 -177.639 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 9.7 tp10 -152.25 -71.97 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.456 178.715 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.49 21.8 10.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.424 0.63 . . . . 0.0 110.64 177.755 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 183' ' ' GLU . 13.8 mmmm . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.875 -179.357 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' B' ' 396' ' ' ALA . 38.5 m -113.98 -62.45 1.59 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 176.58 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 47.94 83.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.912 0.757 . . . . 0.0 112.711 179.174 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.8 m 76.93 -40.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.809 175.606 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.491 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 31.7 mt-30 -59.87 -28.89 67.91 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.62 0.247 . . . . 0.0 110.951 -178.189 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' B' ' 392' ' ' SER . . . -60.14 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 110.503 178.123 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.39 91.72 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.843 177.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.624 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.9 mm -59.06 -48.69 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 175.906 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -58.59 -40.28 82.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.342 -178.954 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.06 -38.37 90.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 179.052 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.502 ' HB3' HD13 ' B' ' 439' ' ' LEU . 3.4 tp10 -73.94 -35.77 64.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.053 179.507 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.624 HG13 ' O ' ' B' ' 398' ' ' ILE . 74.0 mt -57.98 -54.28 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.748 175.902 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -63.32 -29.41 70.73 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.528 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 77.4 ttt180 -59.2 -50.68 73.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.047 174.843 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -73.02 -29.77 63.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 -179.122 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 81.4 mt-10 -61.96 -40.33 95.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.899 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.66 -44.23 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.689 176.317 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.3 mt -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.227 -178.519 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.548 HD12 HG13 ' B' ' 432' ' ' VAL . 40.9 tp -68.78 -32.46 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.229 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.73 -44.86 93.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.124 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 7.6 t -60.89 -54.49 44.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.839 177.662 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -52.73 -32.94 45.73 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.469 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.505 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 14.2 m-70 -71.24 -50.69 30.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.008 177.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -77.07 -39.96 47.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -171.574 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -64.13 -39.41 93.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.916 0.388 . . . . 0.0 110.732 -178.653 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.569 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -78.22 -33.53 49.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.812 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 1.8 mt-30 -71.49 -12.29 61.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.078 174.055 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.85 -8.45 84.28 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.953 175.538 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 7.35 32.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.412 175.643 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 70.5 mt -102.6 117.26 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.006 0.403 . . . . 0.0 110.23 176.746 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.12 144.73 47.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.743 0.782 . . . . 0.0 111.503 179.42 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.646 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.1 t70 -148.67 161.73 41.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.28 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.496 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.1 mp -66.02 -26.33 67.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.11 0.481 . . . . 0.0 110.504 -177.791 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.4 m -66.98 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.0 176.007 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.646 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.3 mmtt -73.41 -44.09 59.09 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.382 -175.665 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.496 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 24.8 mt-10 -60.53 -48.46 81.67 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.038 -178.379 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 6.4 mm-40 -64.26 -44.71 90.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.791 177.765 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.439 ' O ' HG11 ' B' ' 432' ' ' VAL . 24.2 tpt180 -68.61 -32.28 72.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 -177.1 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.45 HD21 ' CZ ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -56.18 -49.92 72.68 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.27 0.557 . . . . 0.0 109.568 176.727 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.552 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -65.26 -45.08 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.1 176.595 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 48.4 mt-10 -57.66 -55.85 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.073 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.548 HG13 HD12 ' B' ' 409' ' ' LEU . 11.0 p -61.35 -35.52 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.595 -176.783 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -62.28 -48.47 79.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.059 0.457 . . . . 0.0 110.762 174.519 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.487 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 31.5 mtp180 -59.99 -38.54 82.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -70.53 -42.26 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.452 178.121 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.431 HD22 ' CG ' ' B' ' 406' ' ' GLU . 3.2 tm? -57.63 -50.93 71.54 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.212 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 4.5 t -69.43 -30.89 68.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 -177.013 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.05 -38.05 75.7 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.33 174.922 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.566 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -59.85 -44.59 94.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.651 179.742 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.546 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -68.07 -42.92 79.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.16 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.1 mmmt -61.54 -27.95 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.973 176.418 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.27 -41.08 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.982 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -77.36 -16.81 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.359 176.361 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.54 -9.22 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.989 -175.312 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.491 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.6 179.005 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.574 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 71.65 -75.94 0.07 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.18 0.592 . . . . 0.0 110.443 179.656 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -155.58 17.67 0.39 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.918 175.731 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m 62.04 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.951 -175.59 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.82 -52.41 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.54 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.54 15.06 2.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.743 174.226 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -149.25 112.4 4.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.119 0.485 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 10.3 m170 -126.81 136.2 52.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.424 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -111.54 123.58 50.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.308 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.7 120.01 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.593 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 HD13 ' CE2' ' A' ' 89' ' ' PHE . 58.7 mt -106.15 131.34 56.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 0.0 111.588 -174.682 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.763 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 9.1 mmt -88.59 111.93 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.799 175.015 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 90' ' ' LEU . 19.8 m -94.76 175.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.587 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.88 175.29 39.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.861 -1.162 . . . . 0.0 113.021 179.467 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.754 ' HB2' ' HE1' ' A' ' 107' ' ' PHE . 5.1 t -153.64 25.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.48 -139.25 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.277 -176.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.16 -73.74 1.01 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 119.865 -1.16 . . . . 0.0 112.185 178.097 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t 69.55 -46.56 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 112.158 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.518 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 105.51 31.59 4.23 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.158 -178.691 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.887 ' HB3' HG21 ' A' ' 92' ' ' VAL . 58.5 pttt -66.75 -40.64 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -174.45 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . 17.0 p -78.08 1.72 20.17 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.83 -174.462 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' HB3' " O3'" ' A' ' 500' ' ' GNP . . . -71.96 -48.62 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 170.564 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.72 -40.93 96.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.292 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.5 p -65.4 -43.21 91.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.241 -176.771 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.93 -41.99 81.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.598 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.24 -35.23 79.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 178.505 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -69.13 -46.13 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 178.756 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 71.8 mtm -74.91 -41.43 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.649 -175.253 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -93.57 5.14 52.6 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.335 -176.037 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 73.36 -38.46 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.686 0.794 . . . . 0.0 112.664 172.351 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -106.29 -177.87 3.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.473 . . . . 0.0 111.407 -176.169 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -74.68 142.47 44.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.164 178.222 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 HG13 ' HD1' ' A' ' 43' ' ' TYR . 9.6 t -72.34 104.39 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.611 -173.702 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -100.09 -21.69 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.556 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.38 85.32 2.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.447 172.6 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' HD1' HG13 ' A' ' 40' ' ' VAL . 48.9 t80 -105.17 116.93 32.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.95 -177.119 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -120.88 146.01 42.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.152 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.95 107.03 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.276 2.651 . . . . 0.0 113.407 -178.192 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -87.7 93.03 9.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -87.75 -56.84 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 110.524 175.61 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.62 14.13 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.7 0.762 . . . . 0.0 109.537 175.054 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -86.83 103.94 15.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.077 -173.333 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -109.51 171.74 7.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.734 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.569 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 6.8 t80 -161.47 168.79 23.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.11 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -136.51 161.23 36.44 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.527 179.199 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 64' ' ' ILE . 49.1 tptt -127.64 143.01 51.2 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.617 -178.474 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -94.96 120.46 35.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 109.983 172.08 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.31 143.5 36.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.602 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 p -94.28 102.37 13.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.823 0.82 . . . . 0.0 109.308 178.279 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.72 102.07 14.68 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.944 -174.533 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.25 5.78 4.42 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.334 170.186 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.84 -30.23 1.81 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.257 176.679 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 62' ' ' VAL . 11.4 pt-20 -95.74 130.18 42.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.192 0.496 . . . . 0.0 109.861 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -71.76 111.73 7.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 169.566 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 60' ' ' GLU . 13.1 t -106.08 153.52 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.259 -166.816 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.29 119.25 38.63 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 167.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 53' ' ' LYS . 12.1 tt -101.03 111.16 29.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.872 0.844 . . . . 0.0 109.273 -178.42 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.669 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 21.2 t70 -87.95 109.52 19.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.959 -173.596 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mm -108.65 120.73 60.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.131 -173.059 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD22 ' CG ' ' A' ' 82' ' ' TYR . 57.6 tp -111.49 118.51 35.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.262 176.946 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.566 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 24.0 t0 -98.77 94.98 6.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.34 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -78.17 149.59 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.088 -172.53 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.62 106.92 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 172.491 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.426 ' HA2' ' HD3' ' A' ' 79' ' ' ARG . . . -81.49 72.65 2.73 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.476 -178.048 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -150.6 170.99 17.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.818 0.342 . . . . 0.0 110.656 178.778 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 -24.69 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.874 -175.175 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.4 m-20 -61.94 -73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.353 0.596 . . . . 0.0 111.294 -177.471 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CB ' HD12 ' A' ' 78' ' ' ILE . 65.5 m-85 -78.12 68.09 4.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.195 -176.507 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.14 68.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.216 177.258 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.777 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -72.19 -15.71 61.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.271 -179.698 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.548 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 64.9 mt -96.57 -32.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.722 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 27.5 ttp180 -92.35 -61.07 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.042 177.855 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.6 -53.96 10.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.591 -173.633 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.777 HD21 ' HA ' ' A' ' 77' ' ' ALA . 59.0 m-80 -76.0 -17.65 59.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.668 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -79.64 -23.78 42.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.33 -179.382 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' HB2' HG23 ' A' ' 114' ' ' VAL . 22.1 m-30 -73.67 81.3 1.54 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.669 ' HG3' ' HB2' ' B' ' 426' ' ' GLU . 86.5 mmt-85 -133.88 -84.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.125 177.671 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.25 40.22 0.48 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.11 0.481 . . . . 0.0 111.733 -174.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.65 134.65 9.43 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.714 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 15.9 mp0 -87.6 -65.31 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.788 0.327 . . . . 0.0 110.81 -178.531 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.65 139.8 14.81 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.147 -171.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CE2' HD13 ' A' ' 18' ' ' ILE . 94.7 m-85 -125.33 126.68 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 178.578 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 20' ' ' VAL . 97.3 mt -96.66 116.61 29.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.428 179.493 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.586 HD12 HD22 ' A' ' 123' ' ' LEU . 57.3 mt -90.47 107.18 19.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.128 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.887 HG21 ' HB3' ' A' ' 27' ' ' LYS . 18.8 m -108.87 139.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 -175.415 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -153.42 164.94 37.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 t -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.176 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.503 HD11 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.45 5.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.494 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.568 ' CG2' HD21 ' A' ' 132' ' ' LEU . 2.5 p -92.56 -27.16 17.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.213 0.53 . . . . 0.0 110.403 174.766 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.15 110.85 22.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.329 -178.489 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -70.88 -19.51 62.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.815 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.37 -55.01 24.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.407 179.118 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 m -59.0 -33.14 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.531 177.739 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -63.92 -36.08 82.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 177.57 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -79.87 -29.42 39.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.413 0.625 . . . . 0.0 110.096 178.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -13.91 62.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.933 -178.823 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.466 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 35.8 p -54.22 -39.63 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 178.112 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.08 82.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.759 177.469 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.49 87.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.34 179.197 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.754 ' HE1' ' HB2' ' A' ' 22' ' ' SER . 5.3 m-85 -57.76 -49.17 77.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.415 0.626 . . . . 0.0 109.721 178.064 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -59.23 -50.76 72.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.808 -176.922 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -32.64 74.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.953 -176.814 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.478 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.911 0.386 . . . . 0.0 109.976 177.676 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 107' ' ' PHE . 61.7 mt -62.72 -50.19 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.093 179.084 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.88 -24.19 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.262 -178.135 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 -178.799 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 83' ' ' PHE . 22.6 m -95.35 -21.2 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.054 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.509 ' HG2' HG21 ' A' ' 114' ' ' VAL . 6.7 mmmt -109.61 -84.09 0.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -177.876 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.6 -64.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.622 0.769 . . . . 0.0 112.915 179.231 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -80.11 54.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.147 0.499 . . . . 0.0 111.375 -175.392 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -103.92 178.31 4.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.801 -178.535 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.98 -69.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 170.62 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 35.0 mmtm -157.48 134.73 10.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.742 172.599 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 53.5 mt -101.52 104.36 33.68 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.501 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 7.9 Cg_endo -88.61 120.92 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.395 2.73 . . . . 0.0 112.665 179.794 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 91' ' ' LEU . 7.3 mp -109.89 153.89 23.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.29 177.799 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.716 HD11 ' HG2' ' A' ' 153' ' ' GLN . 5.9 tp -136.67 121.5 18.68 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.472 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.453 ' N ' HD12 ' A' ' 124' ' ' LEU . 23.1 t -86.06 116.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.094 -178.923 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.49 ' HB ' HG11 ' A' ' 92' ' ' VAL . 42.5 t -110.26 119.08 58.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.381 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.66 113.22 4.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.234 177.756 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -104.34 169.53 8.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 -177.404 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 69.14 33.01 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.697 0.623 . . . . 0.0 111.17 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -75.27 54.33 0.7 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.6 0.714 . . . . 0.0 109.692 174.682 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -135.01 0.9 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.032 -175.798 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.568 HD21 ' CG2' ' A' ' 96' ' ' THR . 0.4 OUTLIER -99.78 -51.04 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 -179.467 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 64.59 -71.33 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 112.371 179.361 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.43 -21.47 66.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.995 0.426 . . . . 0.0 111.652 -175.935 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 54.0 mtt-85 -93.0 21.39 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -175.285 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.572 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 48.1 ttp180 -63.36 113.71 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -178.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -92.52 -27.68 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.156 0.503 . . . . 0.0 110.039 175.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.97 122.98 19.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.792 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.572 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 36.3 Cg_exo -62.27 133.48 43.75 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.916 2.411 . . . . 0.0 112.645 178.594 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -54.16 -28.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.021 174.625 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.44 -42.49 78.2 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.778 178.004 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.12 -39.0 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.277 179.515 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.02 88.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 178.879 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.6 mtp180 -70.29 -32.88 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.5 179.223 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.8 t -58.22 -45.01 88.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 178.311 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.74 -42.83 99.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.98 88.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.426 . . . . 0.0 110.528 177.339 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.76 -42.08 98.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.479 178.882 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.27 -36.45 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -178.423 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -83.77 -9.82 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -178.016 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.28 25.3 61.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.322 178.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.41 176.83 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 120.577 0.227 . . . . 0.0 110.696 -177.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.716 ' HG2' HD11 ' A' ' 124' ' ' LEU . 1.3 pm0 -102.2 157.79 16.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.087 175.519 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -120.7 121.2 37.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.156 175.749 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 127.44 74.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -177.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.56 122.88 30.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.496 178.709 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.6 p -129.87 150.83 50.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.372 0.606 . . . . 0.0 111.706 -177.02 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.8 p -136.68 102.31 4.87 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 173.721 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.73 -12.25 33.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.172 178.949 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -61.91 -36.31 80.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.423 179.762 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -130.93 12.68 5.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 -178.767 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 66.59 22.75 10.47 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.598 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.17 119.44 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.289 -177.215 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 69.59 7.74 6.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.765 175.628 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -42.19 94.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -175.796 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.86 -25.33 53.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.358 -176.901 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.89 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -175.545 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.38 -28.65 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.433 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.402 ' O ' ' HG3' ' A' ' 173' ' ' MET . 97.8 m-85 -74.76 -51.3 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.693 0.283 . . . . 0.0 110.555 179.649 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -67.29 -39.69 86.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.063 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.768 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.166 -178.36 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.462 ' HA ' HD13 ' A' ' 176' ' ' ILE . 46.9 mtm -63.82 -29.94 71.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.728 -179.409 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -59.12 -43.85 91.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.032 178.518 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.82 -32.79 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 178.278 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 173' ' ' MET . 73.3 mt -59.23 -31.89 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.181 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -66.81 -51.62 53.55 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.526 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.0 m -60.65 -39.56 88.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.146 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.41 -45.05 77.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -178.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -73.89 -31.03 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.8 mtt -76.08 -25.52 55.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 177.21 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 22.7 t 65.51 -169.73 0.2 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.802 176.391 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -105.36 -81.5 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.782 178.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.9 m120 52.42 36.44 20.06 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 122.902 0.481 . . . . 0.0 111.4 178.109 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.417 -178.849 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 112.33 -0.308 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.433 ' O ' ' HB1' ' B' ' 396' ' ' ALA . 31.2 p -76.72 49.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 111.253 -179.583 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -91.97 -77.09 0.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.5 m -68.16 -34.95 77.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.205 0.526 . . . . 0.0 110.322 176.835 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 81.2 mt-30 -62.6 -27.75 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.673 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -59.95 -55.71 30.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.588 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.79 91.87 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' B' ' 443' ' ' LEU . 45.7 mm -61.87 -53.21 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.651 0.262 . . . . 0.0 110.85 177.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.435 ' HA ' HD13 ' B' ' 402' ' ' ILE . 99.2 mttt -63.84 -36.47 84.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.728 -175.814 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 70.6 mm-40 -58.93 -47.61 84.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.162 0.506 . . . . 0.0 109.963 176.371 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.73 -37.88 82.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.335 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.512 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 97.3 mt -55.92 -53.29 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.518 178.28 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' B' ' 403' ' ' ARG . 56.4 mtt85 -58.38 -35.37 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.287 -177.7 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -69.0 -44.82 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.864 179.129 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.407 ' HB2' HD11 ' B' ' 436' ' ' LEU . 12.5 mm100 -72.55 -29.89 63.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.538 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 51.5 mt-10 -60.01 -46.47 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 173.7 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.2 -43.11 99.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.032 178.176 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.535 ' O ' HD23 ' B' ' 412' ' ' LEU . 38.0 mt -60.99 -52.46 64.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.786 179.593 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.42 -44.39 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.141 0.496 . . . . 0.0 110.027 178.579 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.46 -47.11 79.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.072 177.762 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 14.0 t -60.0 -55.45 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.705 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.9 mm? -56.17 -35.75 67.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.983 0.421 . . . . 0.0 111.5 179.459 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.548 ' HD2' HD23 ' B' ' 429' ' ' LEU . 21.4 m170 -70.39 -34.15 72.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.92 -50.71 10.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.639 0.257 . . . . 0.0 111.349 177.069 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -57.55 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.82 -174.375 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.9 mp -69.13 -26.74 65.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.702 -178.527 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.7 tt0 -69.43 -35.82 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.183 0.516 . . . . 0.0 109.857 177.282 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.41 -25.47 74.24 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.377 178.057 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.14 18.24 3.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.24 116.66 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.941 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -139.03 144.97 39.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.949 0.881 . . . . 0.0 111.95 179.469 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.732 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.9 t70 -149.49 162.54 39.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.459 179.068 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.69 -30.65 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.014 0.435 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.1 m -66.31 -32.22 73.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 177.969 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.732 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.6 mmtt -69.65 -52.45 25.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.734 -175.007 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.669 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . 6.2 pt-20 -66.44 -37.12 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.646 -175.124 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.35 -41.6 76.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.669 0.271 . . . . 0.0 111.131 175.276 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.514 ' O ' HG11 ' B' ' 432' ' ' VAL . 13.8 mmt180 -61.65 -41.24 97.24 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.704 0.288 . . . . 0.0 110.564 174.489 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.705 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -55.4 -53.42 56.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.014 -176.143 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.521 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 48.0 m95 -62.54 -47.96 81.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.489 -179.316 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.28 -49.91 73.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.057 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.7 p -62.48 -35.24 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.945 0.402 . . . . 0.0 110.505 179.833 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.477 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 19.5 tp60 -56.86 -49.06 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 173.906 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 33.9 mtt180 -68.2 -37.75 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.445 179.655 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -61.15 -46.29 96.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.31 176.885 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.407 HD11 ' HB2' ' B' ' 405' ' ' GLN . 30.0 tp -64.2 -37.51 87.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.155 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.569 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.12 -39.89 68.53 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.643 -178.708 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.81 -35.82 80.94 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 109.613 174.665 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.458 ' HG ' HG12 ' B' ' 402' ' ' ILE . 30.9 tp -66.74 -35.78 80.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.183 178.662 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.58 -43.3 93.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.269 0.557 . . . . 0.0 109.759 173.461 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -59.55 -44.46 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.459 177.781 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.0 mmmt -58.98 -34.12 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.441 178.537 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.513 ' HA ' HG22 ' B' ' 398' ' ' ILE . 60.1 tp -66.02 -44.54 84.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.441 178.249 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -82.53 -2.1 52.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.454 179.589 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.51 -25.75 22.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.089 179.387 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.699 179.96 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.518 " H3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' HA ' ' CD1' ' A' ' 12' ' ' LEU . 92.5 mt-30 -142.01 -175.33 4.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.708 0.254 . . . . 0.0 110.963 -178.56 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.3 t 75.17 -49.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.92 0.763 . . . . 0.0 111.171 179.519 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -81.86 17.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.303 0.573 . . . . 0.0 110.594 177.33 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 9' ' ' GLN . 76.1 mt -95.93 13.24 27.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.874 -176.902 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 2.23 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 178.819 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -123.48 123.33 40.41 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.654 178.745 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -133.27 135.41 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.017 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.46 125.95 50.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.259 0.552 . . . . 0.0 110.727 176.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.8 129.17 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.78 -174.243 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.79 122.24 63.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.423 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 29.5 mtt -90.63 127.95 36.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.205 175.431 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.99 173.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.16 -173.0 27.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.875 -179.387 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -87.22 -10.08 53.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.325 0.583 . . . . 0.0 110.556 179.71 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.96 -45.66 1.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.085 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.11 -1.55 49.6 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.431 -0.384 . . . . 0.0 113.033 -178.316 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 29.7 m -78.18 -0.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.775 -177.524 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' HA2' H5'1 ' A' ' 500' ' ' GNP . . . 76.84 26.17 63.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.602 178.186 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 9.8 ptmm? -62.48 -31.0 71.67 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.764 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 m -75.33 -24.03 57.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 178.06 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.5 68.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.457 -177.175 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD23 HD22 ' A' ' 128' ' ' ASN . 80.6 mt -68.99 -39.27 79.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.899 -176.635 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -67.41 -46.68 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.81 -178.208 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.77 -40.02 72.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 177.057 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -60.81 -52.17 66.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.417 177.18 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -67.68 -27.69 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -176.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -91.47 -52.58 4.71 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -174.04 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -109.89 -5.35 15.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.9 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.45 22.5 7.81 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.448 0.468 . . . . 0.0 111.522 179.88 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -125.32 159.12 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.953 0.406 . . . . 0.0 110.63 179.609 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.32 146.83 24.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.649 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.66 110.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 122.01 0.909 . . . . 0.0 111.53 -176.174 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -101.59 -43.75 5.79 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.802 175.7 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.8 94.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 177.504 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -170.57 90.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.564 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.626 ' HA ' ' O ' ' A' ' 503' ' ' HOH . 62.0 mm-40 -104.26 -42.64 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.722 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.8 Cg_exo -26.59 -81.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 123.907 3.071 . . . . 0.0 114.98 -175.67 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.819 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 11.8 p 44.49 45.4 7.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.323 0.582 . . . . 0.0 111.649 -177.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.64 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 109.353 178.303 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB3' HD13 ' B' ' 409' ' ' LEU . . . -126.53 26.81 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.991 172.868 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.819 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -84.04 65.59 8.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.766 -171.777 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m -91.68 150.94 20.89 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.929 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.618 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 75.8 m-85 -142.43 160.19 40.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.958 0.409 . . . . 0.0 111.345 -176.542 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HD2' ' OE1' ' A' ' 63' ' ' GLN . 4.0 tpp180 -94.42 108.15 20.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.344 -176.59 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -110.78 119.67 39.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.921 0.391 . . . . 0.0 110.152 177.678 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.49 126.39 41.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.541 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.53 147.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.52 175.806 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.05 115.03 44.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.13 178.552 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 170' ' ' PHE . 86.4 mt -93.95 96.04 9.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.505 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 20.79 85.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 125.272 1.607 . . . . 0.0 113.699 -174.273 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.01 -57.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.811 175.372 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.39 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.192 0.496 . . . . 0.0 111.875 -172.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.1 109.68 7.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 168.673 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -106.68 139.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -175.152 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.523 ' OE1' ' HD2' ' A' ' 52' ' ' ARG . 72.8 mt-30 -113.45 127.43 56.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.68 125.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.533 0.682 . . . . 0.0 110.337 177.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.36 117.77 35.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.444 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.88 128.6 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.744 -174.101 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD21 ' CH2' ' B' ' 430' ' ' TRP . 57.1 tp -116.77 114.31 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.468 172.472 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.7 t70 -94.03 94.53 8.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.688 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -72.59 148.53 44.81 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.086 -175.317 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . . . -75.97 142.94 41.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.968 174.388 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.61 22.44 39.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.993 -179.598 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.518 ' HG ' ' HB2' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -103.72 163.46 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 111.33 -177.525 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -93.57 -3.68 52.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.265 -178.734 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HB2' HD11 ' A' ' 72' ' ' LEU . 4.1 m-20 -59.16 -72.96 0.09 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.672 -178.518 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' C ' ' H ' ' A' ' 77' ' ' ALA . 73.3 m-85 -72.57 -54.3 9.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.406 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.98 -45.55 0.5 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.096 -173.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.21 -38.18 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.432 0.693 . . . . 0.0 112.483 179.557 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.59 -36.78 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.22 0.325 . . . . 0.0 110.996 -177.204 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' HD2' ' OD1' ' A' ' 80' ' ' ASP . 20.0 ttm180 -93.52 -64.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.398 0.618 . . . . 0.0 111.262 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 3.4 m-20 -74.68 -41.78 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.34 -168.217 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.492 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -76.21 -15.79 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -176.584 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 77' ' ' ALA . 12.7 m-85 -89.01 1.42 55.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.477 176.51 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 8.0 m-30 -72.66 -169.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.767 -178.746 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.691 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 89.4 mtt180 70.22 -68.04 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.713 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 m -63.02 -24.22 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.904 0.383 . . . . 0.0 110.426 179.713 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.18 136.24 23.58 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 173.587 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.41 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -175.327 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.48 145.32 17.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.95 -176.913 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -128.57 135.42 49.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.146 0.498 . . . . 0.0 110.95 -179.159 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.423 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 95.2 mt -111.44 114.61 27.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.169 177.901 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 125' ' ' VAL . 45.7 mt -85.49 106.52 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -109.8 132.75 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.423 -175.891 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.412 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 26.2 p90 -147.98 160.88 42.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.073 178.04 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.545 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 39.9 t -95.18 146.28 24.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.145 176.767 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.49 6.36 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.161 0.505 . . . . 0.0 111.348 -178.305 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 1.014 HG22 HD21 ' A' ' 132' ' ' LEU . 42.4 p -123.92 5.9 8.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.88 0.371 . . . . 0.0 111.33 176.507 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.545 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 61.1 mt-10 -109.74 96.79 6.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.012 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -66.21 -30.05 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.338 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.24 -53.14 59.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.562 177.331 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -64.66 -32.39 74.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 110.576 179.015 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.58 -49.38 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.234 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 m -67.29 -29.19 68.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.194 0.521 . . . . 0.0 110.769 178.272 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.61 -21.96 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.207 -177.164 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.588 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.5 p -58.99 -35.88 73.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 -179.456 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.19 92.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.637 177.226 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.45 -42.16 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.436 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.5 m-85 -58.31 -51.48 69.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -178.464 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 108' ' ' ARG . 2.2 ptm180 -62.36 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -175.8 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.7 -33.43 73.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.99 -179.084 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.82 -33.74 76.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 178.58 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.7 mt -65.49 -47.18 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.05 178.376 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.81 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.749 178.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -63.81 -30.41 71.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.165 -179.329 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.486 HG21 ' HG3' ' A' ' 115' ' ' LYS . 34.7 m -108.76 -21.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.293 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.691 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 29.8 mtpp -106.64 -91.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -177.24 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.29 -68.1 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.601 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.41 38.76 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.819 0.448 . . . . 0.0 112.179 -172.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.668 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 3.6 mm-40 -100.34 -162.25 0.93 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.075 -176.183 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 62.7 m-20 -63.55 -79.35 0.04 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.703 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.905 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.4 mmtm -157.18 141.72 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.514 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.8 mt -98.65 107.73 44.39 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 120.65 0.262 . . . . 0.0 110.612 -179.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -93.39 122.14 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 123.328 2.686 . . . . 0.0 111.851 176.699 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.423 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.4 mp -117.54 124.89 49.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 0.0 110.351 -179.338 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.638 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -115.49 117.43 30.36 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 174.82 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.745 HG22 HD12 ' A' ' 91' ' ' LEU . 13.1 t -84.25 116.14 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.574 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.03 109.24 27.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.438 -176.371 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.62 115.07 3.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 174.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.603 HD22 HD23 ' A' ' 30' ' ' LEU . 6.2 t-20 -124.85 -169.97 2.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.986 0.393 . . . . 0.0 109.987 -176.37 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 131' ' ' ASP . 29.3 mmmt 60.85 24.9 14.84 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.464 0.477 . . . . 0.0 110.278 -176.311 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.2 m -72.2 30.11 0.05 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.464 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.7 t70 -84.61 -28.42 26.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.595 0.712 . . . . 0.0 109.373 176.267 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 1.014 HD21 HG22 ' A' ' 96' ' ' THR . 6.1 mp -82.04 80.74 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.573 178.117 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -82.29 -42.88 18.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.513 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -82.06 -22.14 36.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.141 -178.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -105.89 8.53 32.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.735 -174.708 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.0 ttm105 -52.71 114.51 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.945 -178.129 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.609 ' HB2' ' HA ' ' A' ' 96' ' ' THR . 30.3 mm-40 -87.71 -33.13 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.785 -176.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 p -118.58 120.97 31.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.044 0.45 . . . . 0.0 110.695 176.908 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 123.26 13.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.064 2.509 . . . . 0.0 111.925 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -70.29 -18.28 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.937 -176.524 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.81 -50.82 69.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.274 178.826 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.77 -24.47 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.184 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.48 85.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.237 173.693 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.689 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 23.1 mtp180 -64.21 -39.57 94.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.179 0.514 . . . . 0.0 110.074 175.138 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.0 t -63.61 -33.0 74.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.609 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -65.81 -37.25 85.76 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.489 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -62.3 -37.43 85.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 0.0 110.095 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.42 -40.2 85.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.601 178.407 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.54 -40.57 92.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.919 179.453 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -88.66 -4.33 58.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.13 -176.431 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.22 40.8 70.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.625 179.17 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 29.2 m -125.62 -173.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.549 0.214 . . . . 0.0 111.22 -178.38 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.638 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -99.86 155.15 17.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.485 177.029 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.689 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 58.0 t80 -132.28 124.67 29.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.44 124.64 67.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 -179.276 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -85.19 115.1 22.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.061 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 80.6 p -121.62 162.02 21.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -174.317 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 p -152.93 130.13 11.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.362 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.75 -0.55 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.437 0.636 . . . . 0.0 110.166 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.478 ' HD3' HN22 ' A' ' 500' ' ' GNP . 27.9 tptp -79.51 -44.59 20.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.51 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 40.1 p -99.99 -9.17 23.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 -178.336 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 45.56 9.99 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.452 -177.256 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -115.99 136.11 53.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 70.44 7.97 6.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.879 176.846 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 168' ' ' VAL . 82.4 t -70.52 -52.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.655 0.264 . . . . 0.0 110.622 -178.583 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -72.29 -23.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -57.83 -47.11 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.522 -176.596 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -65.03 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.901 -174.841 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -70.95 -50.86 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.637 -179.556 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.438 ' CD1' HD22 ' A' ' 57' ' ' LEU . 47.4 m-85 -68.11 -38.91 82.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.276 -177.421 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.53 -51.91 67.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.628 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.56 ' O ' HG13 ' A' ' 176' ' ' ILE . 37.8 tp -61.64 -42.94 99.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.552 -179.003 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.8 mtm -61.24 -30.82 70.68 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.648 -178.515 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 9.5 mmm180 -68.0 -39.9 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.907 179.412 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.714 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 21.3 mt-10 -72.7 -37.29 67.88 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.795 175.127 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -54.63 -48.12 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.606 0.241 . . . . 0.0 111.082 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 181' ' ' MET . 13.9 ptp180 -67.86 -29.12 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.767 -178.377 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.2 m -77.19 -31.32 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -178.22 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.905 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 70.7 mmtt -66.11 -36.51 83.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.068 0.461 . . . . 0.0 110.255 178.934 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 24.5 mtpp -74.11 -21.65 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 -177.742 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 61.6 mtt -69.57 -36.02 75.9 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 7.4 t 63.71 -162.45 0.28 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.821 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -85.03 108.91 17.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.136 0.493 . . . . 0.0 110.313 179.913 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -103.87 20.87 17.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.454 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.476 -179.032 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 24.9 p -87.84 18.54 4.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.686 0.279 . . . . 0.0 111.438 -178.467 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.29 123.93 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 178.833 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.535 ' O ' HG12 ' B' ' 398' ' ' ILE . 46.9 m 74.35 -43.0 0.52 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.682 0.614 . . . . 0.0 111.545 -178.736 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.94 -30.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.87 -54.91 41.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.19 -34.81 90.98 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.963 178.845 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.535 HG12 ' O ' ' B' ' 394' ' ' THR . 46.4 mm -60.45 -52.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.338 . . . . 0.0 110.168 176.374 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 63.0 mttm -59.11 -43.98 91.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.606 -178.084 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.21 -38.55 90.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.164 -178.157 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.635 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 8.5 tp10 -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.639 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.5 mt -53.62 -53.58 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.592 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 79.2 mtp180 -61.79 -35.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.939 -177.17 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.635 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 38.0 ttm180 -61.2 -52.56 64.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.37 176.637 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.1 mm-40 -68.77 -27.8 66.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.14 -176.93 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.9 mt-10 -60.38 -37.41 80.7 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.019 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.99 -49.44 67.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 178.27 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.479 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.9 mp -56.09 -52.2 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.999 176.028 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.495 HD23 HG13 ' B' ' 432' ' ' VAL . 2.4 tm? -56.21 -47.1 79.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.12 177.574 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.58 -45.8 84.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.167 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.73 -55.27 36.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.379 -178.294 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.553 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -52.17 -43.08 63.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.92 0.391 . . . . 0.0 111.033 177.863 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.83 -44.14 96.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.374 -179.85 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -76.48 -41.03 48.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.28 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.3 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.384 -179.126 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 38.6 mt -70.4 -27.52 64.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.443 -175.624 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.23 -23.99 62.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 178.285 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.72 3.35 56.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.156 -178.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.82 28.76 10.64 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.908 178.494 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.5 133.58 68.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.843 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -155.52 144.77 20.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 0.0 111.798 178.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 24.8 t70 -150.86 166.88 29.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.761 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.26 -23.94 62.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.416 0.627 . . . . 0.0 110.603 -179.43 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -67.86 -31.48 71.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.615 175.898 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 60.8 mmtt -72.72 -49.74 29.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.61 -176.567 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.48 ' OE1' ' HD2' ' A' ' 84' ' ' ARG . 8.9 pt-20 -59.34 -45.65 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.997 -177.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.2 mm-40 -63.23 -47.01 84.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.004 178.433 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.542 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.5 mmt180 -61.09 -37.23 81.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.898 178.242 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' B' ' 412' ' ' LEU . 9.1 mt -56.37 -49.93 73.02 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.004 177.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.534 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 93.7 m95 -70.66 -34.35 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.867 -177.489 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 54.4 mt-10 -61.61 -56.4 20.3 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.803 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.546 ' HA ' HD11 ' B' ' 435' ' ' ILE . 7.9 p -64.96 -33.26 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.408 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -54.88 -52.23 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.394 177.271 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.2 mpt_? -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.245 -178.196 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.546 HD11 ' HA ' ' B' ' 432' ' ' VAL . 65.8 mt -65.77 -47.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.826 0.345 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.406 HD11 HG22 ' B' ' 402' ' ' ILE . 34.8 tp -59.85 -42.91 94.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.686 -179.068 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.618 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.2 -34.46 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.289 -178.308 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.33 -39.49 94.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.031 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.639 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.2 mp -59.3 -44.14 92.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 175.824 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -58.45 -41.35 84.92 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.244 0.545 . . . . 0.0 110.194 177.102 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -67.39 -43.68 80.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.572 179.166 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.5 mmmm -57.98 -35.97 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.018 176.786 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.1 -45.01 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.548 178.028 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.33 -2.93 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.38 179.2 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -91.61 -20.14 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.398 0.618 . . . . 0.0 109.518 175.454 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.438 179.357 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.498 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.626 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -179.64 -50.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.564 0.697 . . . . 0.0 109.539 -177.579 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -150.03 -135.86 0.07 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.872 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.7 m -87.92 83.49 7.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.31 173.014 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.72 6.43 12.38 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.414 178.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -93.86 17.52 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.508 -177.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 36.1 tp -130.24 127.42 39.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.487 174.96 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -132.25 144.57 50.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -175.435 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.453 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 30.8 mmtp -118.54 132.05 56.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.847 0.356 . . . . 0.0 110.063 179.161 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' HB ' HD13 ' A' ' 66' ' ' ILE . 83.3 t -127.85 117.98 47.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.685 177.76 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.98 116.74 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.552 175.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HE2' HG22 ' A' ' 92' ' ' VAL . 8.3 tpt -84.57 103.84 14.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.91 -176.54 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.95 143.21 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -175.011 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.83 -176.67 38.62 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.213 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -110.51 8.19 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.513 0.673 . . . . 0.0 109.991 -176.738 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.13 -80.85 0.36 Allowed Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.686 -178.286 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.7 46.32 1.29 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.401 -175.713 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.5 m -86.86 9.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.338 0.589 . . . . 0.0 110.083 175.6 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.564 ' HA2' H5'1 ' A' ' 500' ' ' GNP . . . 55.62 40.7 79.76 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.369 -177.775 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB3' HG21 ' A' ' 25' ' ' VAL . 18.6 pttp -82.78 -16.58 47.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.99 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.6 m -77.26 -19.55 56.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 177.234 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -70.39 -50.15 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.938 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.28 -39.82 95.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.16 -176.667 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -69.91 -36.95 75.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -177.932 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -60.29 -49.51 77.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.754 177.567 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.626 ' HG2' ' HA ' ' A' ' 39' ' ' PHE . 45.2 mt-30 -66.25 -35.23 79.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.259 -176.706 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 87.6 t80 -69.13 -37.91 78.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.335 -178.764 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.6 mtm -91.83 -47.93 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.759 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' CD1' HD21 ' A' ' 32' ' ' LEU . 96.4 m-85 -91.93 -1.5 57.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.38 -175.42 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 69.97 2.35 3.86 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.715 0.634 . . . . 0.0 112.394 171.306 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 45.2 mt-10 -131.97 165.91 22.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.021 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 69.8 t80 -75.74 141.03 42.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.895 0.379 . . . . 0.0 110.597 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -70.02 123.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.446 0.641 . . . . 0.0 111.331 -179.566 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.62 -47.06 3.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.597 178.532 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -148.82 100.43 3.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.279 176.055 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -163.5 107.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.831 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 mm-40 -116.53 -42.23 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -179.422 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.831 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 5.7 Cg_endo -48.31 102.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.735 2.29 . . . . 0.0 113.354 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.57 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.52 70.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.826 177.256 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -88.29 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 109.169 170.405 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.609 ' HB3' HD22 ' B' ' 409' ' ' LEU . . . -127.52 15.33 7.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.641 170.365 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.57 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.6 m-20 -79.44 80.01 5.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.129 -173.435 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -90.68 167.31 12.61 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.978 177.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -136.06 149.27 48.69 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.473 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -95.22 111.96 23.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.861 0.363 . . . . 0.0 110.598 -175.114 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 55.6 tptt -101.6 135.01 43.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 4.0 ttmp? -111.46 125.02 53.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.887 0.375 . . . . 0.0 110.289 174.215 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.59 144.9 34.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.655 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -100.36 125.36 54.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.129 0.49 . . . . 0.0 109.959 178.056 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.1 tp -108.97 109.44 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.697 178.572 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 72.83 -46.48 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.256 0.972 . . . . 0.0 112.589 177.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.84 -49.34 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.995 -1.097 . . . . 0.0 113.933 -174.275 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -95.34 141.13 29.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 117.79 0.795 . . . . 0.0 111.191 -177.138 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.4 131.28 40.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.353 179.541 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -121.75 145.47 28.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.715 -177.371 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.32 149.37 34.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.054 0.454 . . . . 0.0 110.036 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 173' ' ' MET . 12.2 tt -144.85 131.61 15.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 -176.37 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 43.1 m-20 -101.62 125.82 48.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.428 176.372 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.425 HD13 ' HB ' ' A' ' 17' ' ' VAL . 43.3 mm -107.64 112.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.629 -178.013 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 tp -96.77 104.29 16.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -178.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.95 99.94 12.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.843 176.932 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -86.06 167.24 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.673 -173.236 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.58 129.4 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.068 175.455 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.81 39.76 2.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.215 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 HD12 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -116.75 168.08 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.505 0.193 . . . . 0.0 110.95 -178.19 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.485 ' HA ' HH21 ' A' ' 79' ' ' ARG . 21.3 mm-40 -70.14 -35.69 74.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.979 -172.462 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HB2' HD12 ' A' ' 72' ' ' LEU . 3.8 m-20 -56.11 -75.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.314 0.578 . . . . 0.0 111.794 -178.609 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' HB3' HD13 ' A' ' 78' ' ' ILE . 98.0 m-85 -81.27 57.44 3.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.16 -175.159 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.88 -24.22 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.343 0.592 . . . . 0.0 110.225 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -67.16 -10.11 46.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.428 177.765 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.623 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 57.0 mt -94.18 -34.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.89 178.837 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.564 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 14.7 ptt180 -92.15 -64.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.384 177.514 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.564 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 3.8 m-20 -62.08 -51.43 67.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 111.411 -175.001 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.545 HD21 ' HA ' ' A' ' 77' ' ' ALA . 80.4 m-20 -76.41 -15.3 59.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.554 -172.001 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.623 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -91.87 -12.52 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.068 -0.395 . . . . 0.0 111.792 178.888 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.83 -34.41 77.87 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.826 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -47.23 85.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.803 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.723 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 16.7 m -91.25 18.82 6.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -171.875 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 143.38 15.82 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.486 175.512 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.625 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -98.91 -38.77 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.616 0.708 . . . . 0.0 111.368 -179.345 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.91 125.57 8.39 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.013 -174.968 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE2' ' HE3' ' A' ' 115' ' ' LYS . 97.9 m-85 -121.16 115.73 23.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.789 -179.028 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD22 ' HB3' ' A' ' 124' ' ' LEU . 26.8 mt -93.89 111.42 23.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.706 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 107' ' ' PHE . 31.6 tp -92.73 106.34 18.33 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.844 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.539 HG21 ' HB ' ' A' ' 126' ' ' VAL . 48.3 t -119.36 131.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -171.888 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.456 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 35.8 p90 -144.13 158.83 43.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.474 173.419 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.68 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 1.5 m -83.54 139.34 32.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.855 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.492 ' O ' HG11 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -70.83 8.9 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.468 -178.408 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.647 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.4 p -106.56 -0.93 23.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.235 0.541 . . . . 0.0 110.344 173.018 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 94' ' ' SER . 33.8 mt-10 -108.35 101.55 10.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.191 179.557 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -79.58 -28.45 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.38 -48.04 76.98 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -61.41 -30.48 70.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 178.303 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 142' ' ' GLU . 43.5 t80 -66.92 -48.55 68.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.798 175.388 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -35.2 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.125 0.488 . . . . 0.0 110.825 178.998 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 -14.64 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.617 -175.811 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.474 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 51.9 p -53.45 -38.57 63.69 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.563 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.95 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.735 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.04 -41.85 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 -178.19 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CD2' HD11 ' A' ' 91' ' ' LEU . 35.6 m-85 -57.38 -47.22 82.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.628 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -56.85 -54.02 51.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.213 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.28 -39.95 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -176.615 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.473 ' OE1' ' HD3' ' A' ' 113' ' ' ARG . 7.4 tp-100 -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.722 -177.716 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.3 mt -65.59 -39.27 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.696 178.26 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.87 -26.13 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HD3' ' OE1' ' A' ' 110' ' ' GLN . 69.1 ttt180 -65.15 -36.78 85.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -178.742 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.548 HG21 ' HG3' ' A' ' 115' ' ' LYS . 33.8 m -90.51 -4.89 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.409 . . . . 0.0 111.33 -178.667 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HG3' HG21 ' A' ' 114' ' ' VAL . 56.9 mttm -124.59 -106.65 0.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.392 -175.991 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.88 -46.7 0.51 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.237 1.015 . . . . 0.0 113.405 178.409 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.42 1.86 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.116 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.08 -163.46 1.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.483 178.525 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.79 -90.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.049 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.631 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 33.4 mmtp -143.81 148.24 35.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -175.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 33.5 mt -111.92 95.48 29.26 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -177.178 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.625 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 4.2 Cg_exo -78.16 129.82 9.86 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.422 2.748 . . . . 0.0 112.205 179.218 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 89' ' ' PHE . 35.6 mt -119.99 156.53 30.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.536 ' CD1' ' HG2' ' A' ' 153' ' ' GLN . 15.0 tp -150.49 122.29 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 171.085 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.3 t -96.77 122.2 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.014 0.435 . . . . 0.0 110.083 -178.21 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.539 ' HB ' HG21 ' A' ' 92' ' ' VAL . 46.2 t -108.16 127.51 64.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.706 -176.635 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 90.65 1.56 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.711 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -88.96 168.94 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.702 -0.293 . . . . 0.0 110.451 -174.649 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.68 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 29.3 mmtp 72.47 15.12 5.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 178.715 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.433 ' CB ' ' HB3' ' A' ' 156' ' ' GLU . 23.2 t -61.77 -9.41 6.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.417 0.627 . . . . 0.0 110.655 -179.518 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 158' ' ' SER . 34.2 t70 -63.12 -14.59 50.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.68 177.685 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.565 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.6 mt -75.05 -43.54 52.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.205 176.412 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 63.28 -77.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.747 0.819 . . . . 0.0 112.636 177.239 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.59 4.52 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.432 . . . . 0.0 110.978 -172.186 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.565 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 75.6 mtt180 -110.08 7.5 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.831 179.307 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -56.36 118.71 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.287 -177.23 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.647 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 51.8 tp60 -92.0 -29.73 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -177.222 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 95' ' ' ILE . 5.8 p -109.25 113.75 58.41 Favored Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.57 ' HD2' ' OE2' ' A' ' 142' ' ' GLU . 74.6 Cg_exo -52.11 125.52 17.61 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.637 2.225 . . . . 0.0 111.243 174.372 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.645 HG11 ' HG3' ' A' ' 144' ' ' ARG . 5.6 t -54.15 -28.89 18.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.861 -178.018 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.29 -41.48 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.513 -178.565 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.57 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 42.8 mt-10 -57.88 -46.12 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.75 0.786 . . . . 0.0 110.207 178.06 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.38 60.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.436 -1.257 . . . . 0.0 112.106 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.645 ' HG3' HG11 ' A' ' 140' ' ' VAL . 20.1 mtp180 -63.39 -41.62 98.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.137 0.494 . . . . 0.0 110.462 178.576 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -58.57 -34.45 71.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 176.916 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 48.0 mmtm -69.84 -43.77 71.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.29 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.04 -40.62 77.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.615 -178.698 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.07 -42.79 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.749 -179.53 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.33 -34.11 76.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.747 -178.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -87.65 -16.78 33.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.043 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.27 38.07 22.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.266 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.0 m -128.64 177.26 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.472 . . . . 0.0 111.264 -178.595 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.536 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -96.14 147.59 23.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.708 176.257 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HE2' HG13 ' A' ' 140' ' ' VAL . 66.2 t80 -132.67 113.57 13.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.073 0.463 . . . . 0.0 109.761 171.221 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.453 HG12 ' HD3' ' A' ' 167' ' ' LYS . 2.5 p -137.38 147.59 26.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.399 178.364 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.433 ' HB3' ' CB ' ' A' ' 130' ' ' SER . 43.0 mt-10 -84.81 138.07 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 111.13 -175.205 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.5 m -122.39 140.23 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.483 -178.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.462 ' HB2' ' HB2' ' A' ' 131' ' ' ASP . 59.3 p -126.28 132.8 51.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.714 175.574 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.5 -41.17 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.901 0.382 . . . . 0.0 111.605 -174.238 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -67.94 -35.59 78.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.973 -174.561 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.84 -4.97 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.554 176.639 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 52.04 80.64 0.09 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.379 0.671 . . . . 0.0 111.922 -177.274 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.57 122.89 14.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 178.094 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 70.6 22.18 5.14 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.805 0.69 . . . . 0.0 112.246 175.629 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 34.2 t -78.39 -21.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.601 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.95 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.311 -177.662 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.453 ' HD3' HG12 ' A' ' 155' ' ' VAL . 3.4 ptpp? -58.07 -52.76 64.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.282 -0.872 . . . . 0.0 113.234 -171.892 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.423 HG11 HG13 ' A' ' 126' ' ' VAL . 27.3 m -48.29 -38.16 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.119 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.4 ' O ' ' HG3' ' A' ' 173' ' ' MET . 72.9 m-85 -75.94 -55.44 5.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.09 177.251 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.407 ' HA ' ' SD ' ' A' ' 173' ' ' MET . 49.2 m-85 -61.91 -36.66 81.99 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.717 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.15 -46.88 88.73 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.642 0.258 . . . . 0.0 110.897 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -66.5 -37.27 84.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.325 0.583 . . . . 0.0 109.848 178.164 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 170' ' ' PHE . 65.5 mtp -60.91 -31.31 70.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.342 178.864 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -70.81 -47.9 56.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.044 178.66 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -53.51 -36.29 61.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.402 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.661 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 80.3 mt -56.04 -37.9 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 178.514 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 181' ' ' MET . 93.1 mtt180 -71.07 -52.17 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.037 -178.249 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.7 m -57.36 -38.57 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.217 -177.006 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.631 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -65.21 -45.92 82.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 178.291 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.8 mmtp -67.64 -28.74 67.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.647 0.261 . . . . 0.0 111.317 -178.693 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.7 mtt -70.76 -34.41 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.113 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.6 m 61.44 -167.95 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.872 175.589 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.46 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 7.3 tp10 -117.71 96.16 5.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.179 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.12 3.61 5.84 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -175.264 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.46 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 25.0 pttm . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.93 -0.557 . . . . 0.0 111.194 -178.385 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.352 -0.299 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 18.5 p -56.19 -30.16 61.88 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.03 0.532 . . . . 0.0 112.388 -177.05 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 2.5 mp0 -52.31 -55.92 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.24 0.616 . . . . 0.0 110.864 -179.143 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m -70.92 -36.15 72.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.772 -177.686 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 48.4 mt-30 -63.23 -34.93 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.108 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.73 76.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.565 177.287 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.67 -39.76 97.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.775 177.547 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.406 ' O ' HG13 ' B' ' 402' ' ' ILE . 27.1 mm -58.99 -47.78 88.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.817 0.341 . . . . 0.0 110.26 174.869 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.506 ' HA ' HD13 ' B' ' 402' ' ' ILE . 99.5 mttt -63.94 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 -179.002 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.54 -33.91 77.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 175.684 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.2 mt-10 -75.36 -37.57 60.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.232 175.05 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.554 HG12 ' HB3' ' B' ' 439' ' ' LEU . 90.2 mt -56.11 -53.71 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.496 174.761 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -28.45 69.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 110.83 -178.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' B' ' 404' ' ' ARG . 20.9 ttt180 -62.37 -45.31 93.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 175.777 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.2 mm-40 -73.29 -31.67 64.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.356 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.93 -41.14 91.14 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.222 176.816 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -64.26 -47.42 79.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.419 ' O ' HD21 ' B' ' 412' ' ' LEU . 78.3 mt -61.62 -49.41 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 -179.179 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 48' ' ' ALA . 14.4 tp -62.15 -40.03 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.849 179.036 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.21 -49.31 72.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.114 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.3 t -61.81 -55.16 32.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 -178.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.605 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.6 mm? -57.0 -30.44 64.17 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.097 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.449 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 8.6 m-70 -70.63 -48.62 54.11 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 122.163 -0.336 . . . . 0.0 110.905 175.578 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.24 -52.48 22.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 0.0 111.706 -174.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.57 -33.06 72.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.978 -173.586 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' B' ' 425' ' ' LYS . 11.2 mp -81.95 -27.01 33.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.023 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 41.0 mt-30 -65.17 -23.78 67.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.739 0.304 . . . . 0.0 110.644 178.604 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.22 -21.57 78.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.517 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.11 -14.47 7.0 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.418 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.9 mt -79.51 116.04 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.283 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.774 ' HB2' ' HZ2' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -146.37 136.06 23.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.594 0.712 . . . . 0.0 111.067 -179.929 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.7 t70 -144.42 167.98 21.19 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -177.628 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.7 mm? -61.24 -39.53 90.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.815 0.34 . . . . 0.0 110.416 -178.971 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 424' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' B' ' 428' ' ' ARG . 17.2 p -59.39 -37.83 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.607 ' HB3' HD11 ' B' ' 416' ' ' LEU . 44.3 mmtt -67.61 -46.16 73.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.245 0.545 . . . . 0.0 109.78 -176.273 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -67.8 -37.88 82.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.779 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 48.7 mt-10 -67.79 -45.92 73.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.213 175.687 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.675 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.4 mmt180 -60.45 -45.33 94.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.775 179.277 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.605 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.5 mt -56.32 -42.03 76.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.162 0.289 . . . . 0.0 111.53 -179.162 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.723 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 8.0 m95 -68.83 -32.67 72.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.404 177.84 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.931 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 49.5 mt-10 -68.63 -53.02 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.749 179.19 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.5 t -56.77 -34.54 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.379 179.779 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -55.16 -57.39 11.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.396 -1.274 . . . . 0.0 109.577 176.131 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.931 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 18.7 mtp180 -55.44 -46.55 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.74 -179.246 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.466 HD11 ' HA ' ' B' ' 432' ' ' VAL . 9.5 mt -67.12 -38.76 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.012 -176.935 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.74 -47.13 85.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -77.85 -34.59 51.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -176.698 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.42 -36.73 84.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.502 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.554 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -63.38 -40.34 96.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.822 177.52 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' B' ' 444' ' ' ARG . 94.4 mttt -61.31 -38.34 86.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.219 176.787 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . 0.517 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.0 OUTLIER -68.79 -42.66 77.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.775 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -57.48 -33.05 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.911 176.891 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 56.6 tp -68.54 -36.36 78.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.598 176.435 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' B' ' 440' ' ' LYS . 68.3 mtp180 -82.46 -9.29 59.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -91.42 -16.14 27.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.237 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.629 -179.555 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.581 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.568 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -89.57 -38.06 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.617 0.246 . . . . 0.0 111.241 -179.217 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 m -159.24 176.28 12.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -71.21 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 111.377 177.863 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.32 -49.46 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.623 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.21 14.38 1.51 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.858 -1.064 . . . . 0.0 113.871 176.946 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 tp -149.21 128.59 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 111.082 -179.063 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -137.41 149.96 47.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.243 178.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.527 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 37.8 mmtt -123.54 127.51 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.335 177.307 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.634 HG13 HD22 ' A' ' 172' ' ' LEU . 16.3 m -128.44 108.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.557 0.694 . . . . 0.0 109.784 174.279 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.12 122.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.723 -176.62 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 92.3 mmm -86.36 111.02 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.856 179.097 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG23 HD23 ' A' ' 91' ' ' LEU . 26.6 m -94.87 168.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.498 -177.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.97 31.47 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.172 179.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -105.29 12.63 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.386 0.612 . . . . 0.0 109.915 -177.177 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.32 -61.83 0.31 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.853 -179.95 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.06 44.02 1.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.07 -175.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 93' ' ' PHE . 48.5 t -89.79 -21.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.298 0.57 . . . . 0.0 110.121 176.538 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.74 63.41 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.871 -177.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -121.48 -37.05 2.96 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -173.514 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -67.24 -26.64 66.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.75 -49.0 33.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.31 -33.13 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.916 -172.701 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.51 -45.09 88.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.988 0.423 . . . . 0.0 110.727 -179.63 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD11 ' HB ' ' A' ' 40' ' ' VAL . 95.9 mt -64.54 -29.44 70.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.754 HE22 ' HA ' ' A' ' 39' ' ' PHE . 22.1 mm-40 -66.83 -49.88 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.456 -178.761 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 89.6 t80 -69.11 -37.9 78.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.967 -179.222 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.3 mtm -74.61 -44.26 51.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.852 -175.802 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -110.23 -91.04 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.466 -176.474 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 171.59 -31.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.367 0.417 . . . . 0.0 110.472 -174.322 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.39 150.96 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -172.979 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.754 ' HA ' HE22 ' A' ' 33' ' ' GLN . 42.2 t80 -81.19 150.32 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.891 -178.012 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' HB ' HD11 ' A' ' 32' ' ' LEU . 6.0 p -64.71 118.45 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 111.297 -178.031 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.82 -49.51 4.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.441 178.12 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.39 108.72 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.514 178.239 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -158.26 106.11 1.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 110.855 -178.507 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.632 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 43.2 mt-10 -91.91 -53.99 0.27 Allowed Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.744 178.407 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 50.0 Cg_exo -53.47 106.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.752 2.301 . . . . 0.0 113.544 -175.182 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -153.42 35.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.229 172.014 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.79 -55.88 3.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.186 -178.135 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB2' HD22 ' B' ' 409' ' ' LEU . . . -123.07 27.35 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.368 177.753 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 12.2 m-20 -96.08 100.23 11.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.565 -172.694 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -106.84 148.65 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 171.596 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 68.6 m-85 -136.88 145.42 44.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.274 0.559 . . . . 0.0 111.765 -175.871 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -102.07 115.85 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.158 -175.068 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 64' ' ' ILE . 46.0 tptt -105.75 132.64 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.344 177.814 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.08 129.47 35.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.285 176.584 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG21 ' HE1' ' A' ' 173' ' ' MET . 19.9 m -137.15 151.88 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.005 175.531 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 60' ' ' GLU . 12.0 p -148.16 128.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.044 0.45 . . . . 0.0 110.455 176.934 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -115.37 95.96 5.42 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.445 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 45.1 29.81 0.54 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.252 0.97 . . . . 0.0 113.097 -179.71 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.53 -113.48 0.36 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.343 -1.408 . . . . 0.0 114.621 -175.388 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.4 pt-20 -90.9 146.03 24.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -171.188 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.75 108.39 5.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.37 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.7 t -106.68 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.223 -171.644 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -112.1 118.13 34.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 176.265 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.489 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.5 tt -104.5 117.76 50.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.396 176.457 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 21.9 t0 -94.52 124.71 38.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.907 -175.772 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -107.3 112.37 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -173.803 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.3 tp -101.53 113.32 26.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.031 178.704 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.54 85.72 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.404 0.621 . . . . 0.0 110.088 178.311 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.522 ' CG2' ' HA ' ' A' ' 79' ' ' ARG . 25.7 m -62.94 142.74 58.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.588 -176.388 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 131.07 34.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.042 174.144 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.21 64.88 1.94 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.63 -176.548 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.596 HD11 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -143.71 153.2 42.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -75.65 -12.71 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.46 ' HB2' HD11 ' A' ' 72' ' ' LEU . 3.3 m-20 -56.67 -71.6 0.09 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.469 0.652 . . . . 0.0 110.446 176.038 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.596 ' H ' HD11 ' A' ' 72' ' ' LEU . 95.2 m-85 -89.65 64.8 6.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.703 -178.228 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.64 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.042 177.611 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.712 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.14 -6.56 46.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.768 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.894 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 70.3 mt -109.13 -31.56 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.925 0.393 . . . . 0.0 110.403 178.193 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.522 ' HA ' ' CG2' ' A' ' 69' ' ' THR . 56.6 ttp180 -92.86 -65.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 111.269 179.864 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.85 -53.71 9.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.564 0.697 . . . . 0.0 110.924 -173.012 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.712 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -76.75 -16.97 59.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.683 -170.759 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.894 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -84.59 -14.07 49.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -174.282 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' HB2' HG22 ' A' ' 114' ' ' VAL . 18.1 m-30 -75.07 22.65 0.11 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 23.9 mmt180 -75.47 -82.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 179.484 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 m -80.19 44.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 112.055 -173.603 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.61 119.25 2.83 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 176.768 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.579 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.1 pm0 -90.3 -41.46 11.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.711 0.255 . . . . 0.0 110.781 -179.03 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 87' ' ' GLU . . . -93.9 131.69 10.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.151 -175.031 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -131.18 132.64 44.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.89 0.376 . . . . 0.0 111.409 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 109.64 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 176.807 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 HD23 HG23 ' A' ' 20' ' ' VAL . 73.9 mt -84.96 106.67 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.71 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.691 HG11 ' HB ' ' A' ' 126' ' ' VAL . 30.5 m -110.04 133.41 55.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.968 0.413 . . . . 0.0 111.24 -176.811 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.494 ' HA ' HG12 ' A' ' 25' ' ' VAL . 28.0 p90 -143.31 158.42 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.968 176.102 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 p -97.15 129.88 44.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 177.696 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.42 20.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -174.161 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 132' ' ' LEU . 33.5 p -116.5 -31.76 5.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 174.433 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.3 109.67 20.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.704 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -56.78 -44.81 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.627 -175.349 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -14.67 61.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -173.091 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.9 m -72.57 -32.23 65.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.898 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.13 -39.33 60.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.992 174.511 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 m -63.82 -32.08 73.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 176.907 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.32 61.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -175.99 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.5 p -55.14 -41.59 71.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.545 -178.096 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.26 80.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.47 -44.61 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.05 179.052 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.456 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.8 m-85 -58.19 -44.72 88.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.111 0.481 . . . . 0.0 109.931 175.962 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -55.52 -53.41 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.068 -178.472 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -64.28 -36.18 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.26 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -26.94 65.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.398 178.349 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -79.05 -46.0 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.458 178.033 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.24 -44.77 28.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.846 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -57.89 -33.87 69.2 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.695 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.593 HG22 ' HB2' ' A' ' 83' ' ' PHE . 35.2 m -85.07 -1.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.617 -177.402 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.7 mtmm -141.24 -85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.916 -178.676 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.32 -62.33 0.32 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.724 0.809 . . . . 0.0 112.858 177.452 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -84.04 31.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.66 0.384 . . . . 0.0 111.672 -172.995 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 13.4 mm-40 -87.64 -166.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.751 178.199 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.63 -82.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 174.726 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.947 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 31.9 mmmt -149.17 128.28 12.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.499 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 54.3 mt -101.92 110.5 62.38 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.696 0.284 . . . . 0.0 110.841 -178.105 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.579 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.1 Cg_endo -88.02 126.29 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.303 2.669 . . . . 0.0 112.141 177.436 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.8 141.44 48.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.599 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.716 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.6 tp -133.42 121.55 22.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.971 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -89.54 123.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.8 179.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.691 ' HB ' HG11 ' A' ' 92' ' ' VAL . 60.8 t -119.08 123.85 72.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 -177.312 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.18 126.78 8.81 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.298 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.54 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 4.8 p30 -113.48 165.95 11.98 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.2 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.54 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 35.7 mmtm 73.39 13.94 4.51 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.886 0.741 . . . . 0.0 110.297 -174.595 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 m -68.98 -4.6 17.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.231 0.539 . . . . 0.0 110.519 179.034 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.187 175.334 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.522 ' CD1' HG23 ' A' ' 96' ' ' THR . 84.8 mt -69.41 -61.45 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.655 -179.344 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 65.46 -69.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.765 0.665 . . . . 0.0 111.409 -178.099 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.9 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 8.0 pt-20 -59.96 -29.99 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 0.0 110.979 -178.784 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.9 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.4 mtt180 -102.15 12.93 36.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.316 -173.661 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -61.28 112.95 2.35 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.668 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -92.19 -26.04 18.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.361 -174.099 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.9 116.6 56.94 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.103 174.083 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.94 113.48 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.782 2.321 . . . . 0.0 111.385 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.22 -4.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -171.229 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.86 -50.78 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.347 179.182 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.84 -27.35 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 178.5 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.8 88.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 0.0 110.428 177.873 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -68.15 -36.76 80.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.35 175.282 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -62.49 -33.48 74.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.074 178.386 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.9 mmtt -63.67 -30.79 71.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.55 178.767 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.475 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.1 -45.78 91.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.043 0.449 . . . . 0.0 110.213 176.151 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.34 -34.78 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.402 179.07 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -37.24 80.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.974 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -97.21 -5.92 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -176.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.48 34.38 40.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.428 179.386 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.66 -172.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.29 . . . . 0.0 110.784 -178.871 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.716 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.5 pm0 -114.08 151.99 31.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.528 174.834 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.475 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 57.9 t80 -123.03 122.03 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.078 176.939 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.19 133.4 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.269 -179.583 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -92.98 129.72 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 0.0 110.404 176.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -112.76 134.93 54.03 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.866 -178.7 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.7 m -107.8 124.74 50.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.405 ' HB3' ' C2 ' ' A' ' 500' ' ' GNP . . . -100.27 -8.77 23.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 -176.308 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -76.57 -47.61 21.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.019 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.2 t -99.83 -5.53 28.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.524 178.326 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 60.74 80.61 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.072 -179.229 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.37 136.96 38.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -177.647 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 69.13 4.55 4.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.095 0.872 . . . . 0.0 111.809 177.559 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.529 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.0 t -69.34 -46.14 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.128 -175.9 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.523 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 4.0 m-20 -70.12 -42.41 72.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -177.716 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.31 -44.84 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.269 -170.566 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.4 m -57.39 -33.41 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.041 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.18 -43.84 69.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.722 0.296 . . . . 0.0 110.336 177.592 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -66.89 -41.49 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.859 178.749 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.29 -51.38 69.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.935 179.248 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.634 HD22 HG13 ' A' ' 17' ' ' VAL . 39.3 tp -66.52 -35.72 80.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -178.108 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.519 ' HE1' HG21 ' A' ' 55' ' ' VAL . 60.3 mtm -63.51 -33.35 75.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.164 178.452 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 21.2 mmt180 -64.77 -37.25 86.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.675 0.274 . . . . 0.0 110.662 177.639 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 15.1 mt-10 -69.79 -40.9 75.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.721 0.296 . . . . 0.0 110.515 176.197 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.428 HG23 ' HG3' ' A' ' 87' ' ' GLU . 76.1 mt -55.75 -38.85 52.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.463 -178.586 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 16.4 ptt180 -68.73 -45.68 70.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.903 -177.537 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.445 ' N ' ' HG3' ' A' ' 177' ' ' ARG . 26.3 m -64.29 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.464 -179.674 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.947 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.5 mptt -58.24 -57.34 13.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.659 178.317 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -76.41 -33.79 58.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -174.874 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.02 -25.2 64.37 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.298 177.316 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 29.3 m 63.94 27.97 14.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.71 178.629 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -90.39 136.97 32.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.291 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.4 t30 67.64 86.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.994 0.809 . . . . 0.0 110.961 -178.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.942 176.523 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 30.9 m -115.34 36.96 3.7 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 176.152 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -49.16 -62.71 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.949 -174.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.519 ' O ' HG12 ' B' ' 398' ' ' ILE . 16.9 m -77.98 -33.13 51.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.788 -177.325 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.18 -27.78 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.998 -178.384 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.61 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -55.49 -53.7 53.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.267 174.824 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.7 90.62 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.533 ' O ' HG13 ' B' ' 402' ' ' ILE . 13.7 mm -58.89 -54.2 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.041 176.707 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.29 -37.61 78.14 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.909 -177.876 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 41.1 mm-40 -58.19 -47.74 82.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 178.973 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.588 ' HB3' HD22 ' B' ' 439' ' ' LEU . 48.0 mm-40 -71.67 -36.84 70.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.579 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.8 mt -53.94 -54.04 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.944 179.703 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.422 ' HA ' ' HB2' ' B' ' 406' ' ' GLU . 11.2 ptp85 -69.78 -28.55 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.398 -178.412 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 74.3 ttt180 -59.02 -52.14 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.852 175.167 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.423 ' HB2' HD21 ' B' ' 436' ' ' LEU . 72.6 mm-40 -73.73 -27.59 61.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 39.4 mt-10 -59.09 -50.01 75.68 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.259 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.34 -44.57 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.726 178.71 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.555 ' O ' HD23 ' B' ' 412' ' ' LEU . 69.3 mt -61.85 -51.48 68.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.691 -179.058 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.513 HD11 HG13 ' B' ' 432' ' ' VAL . 36.2 tp -64.56 -35.41 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.836 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -65.12 -41.67 94.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.549 178.655 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -59.77 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.679 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.555 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -58.73 -37.83 77.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 175.268 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.832 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 9.9 m-70 -62.6 -45.11 94.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.232 177.816 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -77.39 -33.9 55.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.521 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -56.81 -51.86 67.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.645 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 53.0 mt -71.84 -26.79 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.228 -177.159 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.47 -17.4 62.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.384 179.39 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -86.19 17.15 39.39 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.674 179.659 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.87 20.22 76.47 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.645 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 40.0 mt -120.15 142.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.504 ' HA ' HD23 ' B' ' 416' ' ' LEU . 60.1 pttt -149.13 150.63 33.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.345 0.593 . . . . 0.0 111.288 174.32 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.602 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.5 t70 -146.7 160.19 42.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.434 179.798 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.17 -36.14 83.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.358 . . . . 0.0 110.993 -176.004 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 34.8 t -64.52 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.117 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.602 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.8 mmtt -64.21 -52.02 60.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.654 0.74 . . . . 0.0 109.698 -179.715 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.92 -46.0 92.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.128 -1.397 . . . . 0.0 110.985 -175.523 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.24 -48.34 80.38 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.385 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.588 ' O ' HG11 ' B' ' 432' ' ' VAL . 16.3 mmt180 -60.75 -37.04 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.61 178.897 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' B' ' 429' ' ' LEU . 11.2 mt -55.7 -56.2 23.28 Favored 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 123.122 0.264 . . . . 0.0 111.443 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.469 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 78.2 m95 -66.0 -30.39 70.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.562 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 34.4 tt0 -71.67 -56.75 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.935 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.588 HG11 ' O ' ' B' ' 428' ' ' ARG . 7.6 p -63.58 -32.79 58.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.122 0.487 . . . . 0.0 110.215 -179.275 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -55.74 -50.95 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.623 175.61 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.562 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 0.8 OUTLIER -67.58 -26.63 66.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.714 -176.887 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.578 HD13 ' HA ' ' B' ' 432' ' ' VAL . 38.0 mt -75.63 -46.14 37.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.459 176.519 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.504 HD12 ' HE3' ' B' ' 440' ' ' LYS . 3.1 tm? -57.11 -42.63 81.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.156 177.363 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.433 HG23 ' HA ' ' B' ' 434' ' ' ARG . 8.6 t -72.63 -34.85 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.311 -178.073 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.41 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.313 0.578 . . . . 0.0 109.762 176.884 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' B' ' 401' ' ' GLU . 2.2 mp -63.22 -44.05 96.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.472 177.607 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . 0.504 ' HE3' HD12 ' B' ' 436' ' ' LEU . 83.4 mttt -63.43 -34.31 77.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.511 178.286 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.06 -47.06 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 177.083 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -63.27 -31.44 72.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 179.894 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.11 -49.83 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.006 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . 0.88 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 2.8 mmp_? -84.02 -1.89 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.937 0.398 . . . . 0.0 112.047 178.539 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -80.28 -22.76 41.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.777 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.403 178.486 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' C2 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.464 ' H3 ' ' CD ' ' A' ' 60' ' ' GLU . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.971 -0.451 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -78.65 -29.84 45.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.702 0.287 . . . . 0.0 111.432 -177.541 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 12' ' ' LEU . 4.6 m -96.98 -158.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.16 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 m -76.79 39.54 0.22 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 111.599 -177.66 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.404 ' H ' ' C ' ' A' ' 10' ' ' SER . 1.3 pt? -119.72 9.76 11.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 109.791 176.484 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 1.59 36.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.075 0.941 . . . . 0.0 109.905 175.464 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 2.4 pt? -144.28 148.03 34.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.336 175.108 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.546 ' HD1' ' HB ' ' A' ' 176' ' ' ILE . 57.3 m-70 -136.37 136.32 39.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -172.074 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -114.56 115.81 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 176.994 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.22 112.48 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.151 177.917 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' A' ' 89' ' ' PHE . 56.7 mt -90.87 123.91 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -176.174 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.444 ' HE1' HD12 ' A' ' 90' ' ' LEU . 8.5 mmt -77.28 107.65 9.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.876 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.437 ' HB ' HD23 ' A' ' 91' ' ' LEU . 51.4 t -95.0 133.16 36.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.982 0.42 . . . . 0.0 111.266 -172.714 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.04 160.35 27.35 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.714 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -64.85 -40.68 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.297 178.527 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' CA ' ' A' ' 71' ' ' GLY . . . -132.23 -70.04 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.654 175.386 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 69.57 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.253 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 94' ' ' SER . 44.8 t -44.47 -55.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.167 0.587 . . . . 0.0 112.174 -178.918 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.476 ' HA3' ' OD1' ' A' ' 128' ' ' ASN . . . -152.2 16.97 0.79 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.201 177.831 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.557 ' HZ1' ' HA ' ' A' ' 68' ' ' ASP . 19.8 ptmt -63.26 -43.96 96.51 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.964 -0.139 . . . . 0.0 111.259 -176.904 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -65.95 -30.85 71.49 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -177.762 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.465 ' HB1' HO3' ' A' ' 500' ' ' GNP . . . -71.99 -47.06 54.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.104 0.478 . . . . 0.0 110.854 178.49 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.14 -39.34 89.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.469 -177.071 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -67.26 -32.08 72.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.668 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.38 -41.93 88.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.033 175.987 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB2' HG13 ' A' ' 165' ' ' VAL . 88.0 mt-30 -76.03 -15.43 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.654 -177.887 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -72.38 -27.19 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 110.529 175.632 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.407 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 66.6 mtm -107.41 -51.39 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.185 -178.058 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.91 -28.5 15.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.234 -175.326 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.7 t0 62.63 31.14 16.94 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.041 0.924 . . . . 0.0 109.725 -176.576 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -117.92 156.98 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.554 178.517 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -85.16 150.51 24.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.67 107.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.533 0.682 . . . . 0.0 112.168 -174.275 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.74 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.591 172.381 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.99 121.28 13.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.786 177.345 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -163.64 93.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.246 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.9 tp10 -93.41 -39.37 0.33 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.816 178.85 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 66.2 Cg_exo -40.22 136.95 1.5 Allowed 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 122.26 1.973 . . . . 0.0 111.711 171.4 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.629 HG23 ' O2G' ' A' ' 500' ' ' GNP . 2.9 t 171.24 -10.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.601 -166.734 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' O ' HD13 ' A' ' 78' ' ' ILE . 21.8 mtpp -72.63 -58.95 2.97 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 -171.529 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.41 11.51 7.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.741 0.781 . . . . 0.0 109.43 174.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -78.31 125.95 30.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.895 -175.876 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.518 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 70.1 m -152.67 163.46 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -177.856 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -133.96 139.0 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 0.0 111.803 -171.198 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -95.97 107.01 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.119 170.848 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 50.6 tptt -97.82 128.62 44.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 -178.24 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.666 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 36.4 ttpt -107.5 126.85 53.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.282 0.563 . . . . 0.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 m -129.03 143.88 39.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.255 178.33 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 13.9 p -92.08 119.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.573 0.701 . . . . 0.0 110.997 -175.266 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB2' HG23 ' A' ' 62' ' ' VAL . 53.8 mt -113.81 106.63 14.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.544 179.612 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 73.89 7.96 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.783 172.546 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.46 -32.31 2.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.38 175.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' CD ' ' H3 ' ' A' ' 8' ' ' GLY . 9.2 pt-20 -104.38 140.65 37.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.723 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.666 ' HB3' ' HD2' ' A' ' 54' ' ' LYS . 65.8 mt-10 -76.76 116.56 17.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.476 0.655 . . . . 0.0 109.777 178.053 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG23 ' HB2' ' A' ' 57' ' ' LEU . 3.1 t -107.24 154.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.337 -171.679 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 39.2 mt-30 -112.38 135.52 52.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.048 0.451 . . . . 0.0 111.985 -170.998 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 HD12 ' HE3' ' A' ' 173' ' ' MET . 16.5 tt -125.21 127.74 72.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.36 0.6 . . . . 0.0 109.499 171.892 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 23.2 t0 -101.87 120.56 40.58 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.212 -173.513 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' A' ' 50' ' ' SER . 36.3 mm -109.12 113.64 44.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.889 -174.867 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD11 ' OG ' ' A' ' 50' ' ' SER . 44.3 tp -101.08 127.34 47.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' HA ' ' HZ1' ' A' ' 27' ' ' LYS . 8.4 t70 -98.98 -177.54 3.66 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.641 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -148.57 141.16 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.102 0.41 . . . . 0.0 112.076 -171.444 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.12 126.0 30.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.323 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.426 ' CA ' ' HA2' ' A' ' 23' ' ' GLY . . . -79.18 62.02 4.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.155 -174.971 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -160.61 156.68 26.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.784 0.326 . . . . 0.0 111.136 -179.679 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.97 -12.06 55.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.615 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.455 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.6 m-20 -53.94 -52.39 60.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.449 0.642 . . . . 0.0 110.447 178.326 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.433 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.9 m-85 -104.07 65.37 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.616 176.576 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.77 -25.42 60.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.206 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.975 ' HA ' ' HB3' ' A' ' 81' ' ' ASN . . . -67.17 -5.85 15.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.15 179.26 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 47' ' ' LYS . 51.4 mt -96.92 -43.03 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.981 179.171 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -93.84 -66.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.565 0.697 . . . . 0.0 110.917 177.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.44 -55.99 5.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.582 -168.086 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.975 ' HB3' ' HA ' ' A' ' 77' ' ' ALA . 8.5 t-20 -71.41 -16.14 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.665 -173.115 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -82.0 -20.16 38.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.838 -178.633 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' HB2' HG21 ' A' ' 114' ' ' VAL . 21.5 m-85 -70.09 81.43 0.5 Allowed 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.988 0.423 . . . . 0.0 110.366 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 19.8 mmm180 -145.04 -79.45 0.18 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 179.628 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 m -72.38 -5.0 33.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.867 -176.673 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.46 136.61 15.23 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.436 175.865 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.564 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 35.8 tt0 -93.84 -62.49 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 -177.521 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.8 141.46 18.67 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.533 -175.939 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CE1' HD11 ' A' ' 18' ' ' ILE . 98.5 m-85 -125.62 127.28 46.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 110.977 179.05 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.598 HD21 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -103.08 109.68 21.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' HB ' ' A' ' 20' ' ' VAL . 52.8 mt -91.24 107.82 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.026 -177.458 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.715 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.5 m -101.91 141.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.0 111.953 -176.033 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -150.6 175.58 11.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.511 174.778 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB2' HG13 ' A' ' 25' ' ' VAL . 47.2 t -118.01 143.84 46.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.319 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.457 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.64 -0.84 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.968 179.881 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 135' ' ' ARG . 43.1 p -111.17 -7.68 14.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 174.028 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.26 91.32 3.57 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.937 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -69.38 -22.18 63.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.25 -177.265 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.6 -52.77 64.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.882 177.798 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -71.73 -25.77 62.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.839 178.584 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.44 -45.14 95.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.821 0.343 . . . . 0.0 110.234 176.308 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.231 0.539 . . . . 0.0 110.3 177.111 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.07 -15.31 63.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.117 -177.499 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.414 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 45.2 p -58.24 -36.99 74.02 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 178.429 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.39 88.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.265 177.005 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 9.8 tp10 -64.12 -37.44 87.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.948 178.823 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -62.89 -49.21 75.71 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.274 175.522 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -56.48 -50.8 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.131 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.7 -28.76 68.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.821 -178.861 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.8 tp-100 -63.86 -41.3 97.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 178.212 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 107' ' ' PHE . 68.2 mt -61.34 -43.68 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.988 179.555 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -73.23 -21.36 60.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.948 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -78.92 -26.98 43.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 -177.672 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.1 m -107.88 -24.06 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.678 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 25.0 mtpp -110.03 -88.77 0.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.245 -179.406 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.02 -60.93 0.29 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.1 46.03 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.027 0.442 . . . . 0.0 111.591 -173.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.492 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 5.6 mm-40 -102.87 -162.4 0.91 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.856 -176.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.07 -69.61 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.52 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -144.95 129.3 17.82 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.214 177.654 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.438 HG21 HG21 ' A' ' 111' ' ' ILE . 68.9 mt -105.69 107.3 59.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.635 ' HG3' ' HZ1' ' A' ' 179' ' ' LYS . 87.2 Cg_endo -90.82 127.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.19 2.593 . . . . 0.0 112.771 176.104 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.7 122.59 42.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.486 -179.231 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.613 HD11 ' HG2' ' A' ' 153' ' ' GLN . 10.8 tp -114.2 120.55 40.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.071 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.14 122.41 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.482 -176.837 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.715 ' HB ' HG11 ' A' ' 92' ' ' VAL . 41.3 t -108.65 109.86 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.538 -176.948 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.88 112.36 3.7 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.038 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.476 ' OD1' ' HA3' ' A' ' 26' ' ' GLY . 3.7 t-20 -100.98 172.69 6.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.971 0.385 . . . . 0.0 110.335 -176.027 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 71.09 21.04 4.99 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.664 0.602 . . . . 0.0 111.367 175.337 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.5 m -62.19 -7.7 4.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -179.314 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.02 -18.44 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.879 177.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 96' ' ' THR . 72.3 mt -70.33 -73.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.69 -174.709 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 67.18 -65.74 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.458 0.703 . . . . 0.0 111.962 -177.828 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.879 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.4 pt-20 -59.31 -30.79 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.525 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.879 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 84.5 mtt180 -106.41 14.72 26.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.13 -173.69 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -55.24 121.28 8.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 -177.319 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.22 -28.34 14.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.02 123.85 27.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.731 176.773 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.1 119.12 5.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.64 2.226 . . . . 0.0 111.234 176.483 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.664 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.4 p -74.22 -13.72 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.702 -173.936 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.09 -49.73 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.23 -20.9 60.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 110.477 178.115 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.87 -33.55 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.122 0.487 . . . . 0.0 110.139 175.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 67.7 mtp180 -68.51 -31.89 71.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.364 0.602 . . . . 0.0 109.391 173.348 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 23.0 t -71.91 -36.12 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.098 -176.515 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -52.92 -52.07 59.07 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.533 176.481 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.49 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -60.55 -39.1 86.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.99 177.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.03 -37.39 87.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.414 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 145' ' ' SER . 43.8 mt-10 -64.66 -35.64 81.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.391 . . . . 0.0 110.954 177.416 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -84.55 -4.76 59.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -177.296 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.29 27.92 65.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.79 179.9 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 -178.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.613 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -101.58 153.59 19.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.466 172.911 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 52.4 t80 -117.57 120.03 36.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.422 ' HB ' HG12 ' A' ' 168' ' ' VAL . 47.0 t -115.24 125.78 72.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.551 -179.748 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -89.55 126.91 35.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.108 177.456 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.5 p -114.15 129.05 56.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.482 0.658 . . . . 0.0 111.303 -175.231 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.0 m -109.14 127.13 53.92 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.494 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.515 ' HB3' HN21 ' A' ' 500' ' ' GNP . . . -106.78 -25.18 11.83 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.456 -172.726 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.36 -40.46 23.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.072 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.0 p -90.54 -13.1 35.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.494 176.733 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 61.1 87.61 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.395 179.555 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.22 128.21 12.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.903 -178.936 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 66.87 18.57 10.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.747 0.655 . . . . 0.0 111.936 175.478 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.534 HG13 ' HB2' ' A' ' 33' ' ' GLN . 85.4 t -66.87 -50.08 68.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -178.123 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -76.24 -18.35 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -178.388 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.26 -48.54 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.451 -175.226 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' A' ' 155' ' ' VAL . 30.6 m -62.47 -30.95 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.279 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.6 -51.05 15.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.147 -177.868 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.539 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 49.4 m-85 -68.71 -34.4 75.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.146 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.05 -52.3 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.194 -177.118 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.06 -26.63 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.271 0.558 . . . . 0.0 109.918 -179.512 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.492 ' HE3' HD12 ' A' ' 64' ' ' ILE . 7.9 ttm -63.3 -39.81 95.61 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.134 176.869 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 9.1 mmm180 -69.42 -34.35 74.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.388 -176.586 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.4 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 0.0 110.967 177.591 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.546 ' HB ' ' HD1' ' A' ' 15' ' ' HIS . 74.3 mt -63.64 -25.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 111.132 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -59.86 -49.59 77.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.542 179.167 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 4.5 m -59.34 -36.46 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.272 -175.965 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.635 ' HZ1' ' HG3' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.6 -51.65 66.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 180' ' ' LYS . 12.7 mmtp -74.47 -19.69 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.662 -175.42 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.6 mtt -83.28 -18.99 37.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.963 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.5 m 66.02 -72.0 0.08 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.718 0.807 . . . . 0.0 112.127 177.584 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 58.46 76.83 0.32 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.338 0.59 . . . . 0.0 111.129 -178.793 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -91.0 -0.83 57.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.551 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.473 -178.668 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.089 -0.405 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 9.3 p -81.64 68.41 7.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.118 0.485 . . . . 0.0 111.273 -178.816 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -96.15 -74.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.772 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.504 ' O ' HG12 ' B' ' 398' ' ' ILE . 3.6 m -67.11 -42.85 83.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -175.995 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.07 -27.58 68.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.792 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.32 -49.53 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.122 177.45 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.72 -36.73 93.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.699 176.393 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.517 ' O ' HG13 ' B' ' 402' ' ' ILE . 43.5 mm -60.83 -47.93 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.198 . . . . 0.0 110.557 176.347 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -59.68 -33.97 72.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.593 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -60.61 -47.35 86.6 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.025 0.441 . . . . 0.0 110.243 176.624 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 19.6 mt-10 -73.25 -35.53 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.976 -178.107 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.55 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.9 mt -56.71 -53.7 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.502 174.549 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.49 -29.42 70.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 -179.021 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.0 ttm180 -60.19 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.254 174.946 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 69.8 mm-40 -72.85 -37.61 67.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.487 -177.567 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 82.7 mt-10 -60.84 -37.65 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.374 179.026 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.85 -47.5 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.806 175.959 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.7 mt -61.5 -46.5 89.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 -179.768 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.496 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 18.7 tp -61.67 -45.83 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 178.635 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -57.38 -44.51 84.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.937 179.003 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.9 t -60.14 -55.21 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.414 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.505 ' O ' HD12 ' B' ' 416' ' ' LEU . 3.3 mm? -53.97 -39.87 66.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 111.136 177.58 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . 0.496 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 27.1 m-70 -65.14 -48.31 74.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.832 178.381 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -68.69 -44.21 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.243 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.08 -33.99 72.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.955 0.407 . . . . 0.0 111.613 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.4 mp -66.03 -29.37 69.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.8 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.27 -9.51 56.18 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.973 179.411 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.85 3.69 63.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.115 176.938 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.82 68.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.111 178.256 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.18 119.44 33.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.885 0.374 . . . . 0.0 110.682 -177.895 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -133.42 134.18 43.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 172.405 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.668 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.4 t70 -148.22 162.34 39.67 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.889 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.13 -27.1 69.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.376 0.607 . . . . 0.0 109.618 177.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 11.4 m -73.53 -36.14 65.64 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.035 -178.593 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.1 OUTLIER -70.08 -36.39 74.88 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.695 -173.123 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.572 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.5 pt-20 -73.76 -44.84 54.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.468 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.43 -35.19 80.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.94 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.635 ' O ' HG23 ' B' ' 432' ' ' VAL . 22.7 mmt180 -64.14 -44.62 91.59 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.498 175.605 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 10.9 mt -56.5 -53.87 52.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.704 -179.231 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.477 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 86.7 m95 -62.86 -31.4 72.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.044 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.29 -54.04 20.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.392 174.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 428' ' ' ARG . 21.3 t -56.82 -36.05 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 109.37 178.345 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -56.75 -55.29 36.05 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.475 179.15 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.663 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -68.78 -26.31 65.14 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.441 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.656 HG13 ' HD3' ' B' ' 434' ' ' ARG . 22.1 mt -72.33 -44.15 63.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 110.058 176.001 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.436 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -63.49 -44.22 95.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.477 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.663 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.2 t -69.68 -30.86 68.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.011 0.434 . . . . 0.0 110.077 -178.978 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.686 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.86 -43.69 82.92 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.716 173.757 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 0.883 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.444 -178.996 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -58.9 -39.3 81.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.682 0.753 . . . . 0.0 109.793 175.925 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -65.62 -40.72 92.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.962 178.026 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.883 ' HD3' HD12 ' B' ' 439' ' ' LEU . 24.3 mtpp -61.44 -32.4 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.331 176.678 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.494 ' HA ' HG23 ' B' ' 398' ' ' ILE . 44.8 tp -59.57 -44.93 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.716 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -83.74 -2.89 57.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 176.662 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . 0.645 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 30.5 tt0 -82.2 -31.77 30.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 178.328 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.086 -178.176 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.629 ' O2G' HG23 ' A' ' 46' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -24.77 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.484 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -155.48 177.45 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 53.9 m -79.0 93.84 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.288 0.566 . . . . 0.0 110.571 177.953 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -107.73 -36.59 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 178.877 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.84 8.8 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.468 0.651 . . . . 0.0 110.488 178.361 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' SER . 60.0 tp -139.24 128.92 24.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.977 177.87 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -136.93 152.62 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.107 0.48 . . . . 0.0 111.891 -176.822 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 23.1 mmtp -122.41 112.52 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.396 178.047 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -121.5 129.79 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.731 -176.596 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 HD13 ' CE2' ' A' ' 89' ' ' PHE . 51.0 mt -107.45 127.91 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.95 -178.046 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.642 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 19.0 mmt -78.58 111.66 14.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.414 173.616 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG21 HD21 ' A' ' 91' ' ' LEU . 16.9 m -115.34 138.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.114 0.483 . . . . 0.0 111.07 -178.493 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.3 158.14 12.78 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.703 -179.163 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -84.14 122.39 28.77 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.843 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 -93.33 1.3 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.453 -175.693 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' HA2' ' CD ' ' A' ' 27' ' ' LYS . . . 162.01 65.92 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.52 176.511 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.08 -68.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.722 -179.277 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.68 14.11 4.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.395 -179.094 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.847 ' HB3' HG21 ' A' ' 92' ' ' VAL . 11.9 ptmm? -72.41 -11.03 60.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.32 . . . . 0.0 111.491 -175.422 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.433 ' HB2' ' O2A' ' A' ' 500' ' ' GNP . 21.6 m -109.9 -30.03 8.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 176.796 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.44 -55.08 7.59 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.28 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.6 -31.81 72.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.057 0.456 . . . . 0.0 111.347 -174.745 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.521 HG22 HG23 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -64.37 -39.76 94.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.01 -174.349 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD13 ' HB ' ' A' ' 40' ' ' VAL . 73.3 mt -66.35 -23.16 66.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.653 0.263 . . . . 0.0 111.364 -178.594 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -71.27 -44.2 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.155 0.502 . . . . 0.0 109.915 175.432 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.22 -38.05 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp -70.85 -57.66 4.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.246 -178.878 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.482 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 98.7 m-85 -106.06 -80.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -176.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.4 t70 157.59 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.297 0.998 . . . . 0.0 108.946 -172.323 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -95.49 153.89 17.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.025 -172.124 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -83.18 150.5 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.242 -175.181 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.839 ' HB ' HD13 ' A' ' 32' ' ' LEU . 6.4 p -67.68 123.02 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -92.97 -42.85 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.609 176.364 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.58 137.04 8.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.536 172.341 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.38 94.17 0.97 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.652 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.5 mt-10 -74.45 -58.78 1.75 Allowed Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.06 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.3 Cg_exo -58.84 -91.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.456 2.104 . . . . 0.0 114.036 -170.217 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.511 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 40.4 p 50.19 32.39 5.99 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.143 0.577 . . . . 0.0 111.441 -174.235 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HA ' ' HB1' ' A' ' 70' ' ' ALA . 37.7 mtmt -87.24 -50.77 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.778 177.02 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.07 27.59 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.228 178.923 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 22.0 m-20 -89.63 111.46 22.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.3 0.571 . . . . 0.0 110.963 -177.424 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.449 ' HB3' ' HG3' ' B' ' 433' ' ' GLN . 41.9 t -122.45 140.76 52.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.688 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -135.24 132.7 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.789 0.328 . . . . 0.0 110.292 -177.529 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -95.12 127.58 41.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.75 179.533 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -117.18 133.7 55.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.759 -177.52 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -101.31 122.76 44.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.542 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.66 144.7 35.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.107 177.483 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 56' ' ' VAL . 7.3 p -116.56 103.18 14.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.539 0.685 . . . . 0.0 109.76 177.043 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.772 HD13 ' HE ' ' A' ' 174' ' ' ARG . 2.5 pt? -96.46 98.37 10.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.577 0.703 . . . . 0.0 110.435 -177.968 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 61.19 15.64 6.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.098 174.199 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.37 -85.33 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 118.394 -1.86 . . . . 0.0 115.593 -176.426 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' CD ' HH12 ' A' ' 177' ' ' ARG . 8.3 pt-20 -100.61 148.64 24.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 111.595 -168.595 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.45 105.85 5.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.47 174.57 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 13' ' ' ALA . 8.2 t -106.17 136.17 41.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.593 -175.81 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -113.18 123.79 51.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 -176.848 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.478 HD13 ' SD ' ' A' ' 173' ' ' MET . 10.2 tt -122.65 120.07 59.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.836 -175.979 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.402 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.3 m-20 -88.3 120.56 29.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.386 176.934 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.521 HG23 HG22 ' A' ' 31' ' ' THR . 47.5 mm -107.15 120.83 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.669 0.271 . . . . 0.0 110.517 -179.334 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.26 115.41 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.428 176.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.5 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 33.1 t0 -98.95 105.87 18.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.029 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -85.57 152.91 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.266 -174.959 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 47' ' ' LYS . . . -73.89 118.89 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.04 173.146 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.62 62.85 3.47 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.763 -178.224 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.62 -172.34 3.28 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.239 0.215 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -100.07 -22.69 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.189 0.519 . . . . 0.0 111.036 -176.861 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.52 -65.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.594 -174.181 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -82.54 67.79 8.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 -172.787 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.87 -23.83 65.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.19 179.217 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HA ' HD21 ' A' ' 81' ' ' ASN . . . -64.56 -29.47 70.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.987 178.838 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.514 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 9.8 mt -89.43 -25.01 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.985 -179.137 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -92.04 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.384 -176.072 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.66 -44.94 39.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.901 -173.264 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.558 HD21 ' HA ' ' A' ' 77' ' ' ALA . 93.3 m-20 -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.248 -170.269 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.558 ' OH ' HD11 ' B' ' 409' ' ' LEU . 25.9 m-85 -83.1 -11.34 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.491 174.711 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -76.27 77.8 3.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 179.161 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.483 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 31.3 ttt-85 -162.66 -62.15 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.023 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -67.3 -23.43 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.559 178.825 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.53 124.02 17.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.831 177.818 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 25.0 mt-10 -85.3 -64.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.144 0.497 . . . . 0.0 110.333 -176.785 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.74 150.57 18.79 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.672 -175.661 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' HE2' ' A' ' 115' ' ' LYS . 87.9 m-85 -129.13 128.31 43.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 0.0 110.695 -178.961 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.62 110.66 23.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 176.764 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.702 HD11 HG23 ' A' ' 125' ' ' VAL . 78.3 mt -81.92 107.42 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.356 179.27 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.847 HG21 ' HB3' ' A' ' 27' ' ' LYS . 27.2 m -98.23 120.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.557 0.694 . . . . 0.0 111.408 -176.308 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.7 p90 -151.3 166.37 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.974 176.691 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.757 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 12.6 t -118.68 146.49 44.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.931 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.81 -2.04 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.731 -176.752 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.437 ' CG2' HD21 ' A' ' 132' ' ' LEU . 18.8 p -94.28 -28.27 15.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.878 0.371 . . . . 0.0 110.284 171.26 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.757 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.1 mm-40 -90.67 95.56 10.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.858 -177.519 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -67.97 -29.53 68.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.571 -176.863 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.78 -39.7 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.33 . . . . 0.0 110.344 179.09 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 93' ' ' PHE . 17.0 m -62.91 -37.54 87.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.377 178.33 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.41 -42.99 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.809 179.856 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.9 m -69.29 -34.15 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 111.253 -179.946 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.94 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.695 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.52 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 67.7 p -61.02 -28.89 69.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -177.63 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.11 80.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.729 -178.696 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.93 -42.36 94.76 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.703 -179.636 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 13.0 m-85 -60.48 -50.58 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.863 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -51.28 -58.41 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.447 -178.532 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.84 -30.35 69.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.462 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.63 -32.67 68.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.014 0.435 . . . . 0.0 110.242 -179.678 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.1 mt -65.76 -47.81 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.782 177.865 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.82 -19.47 65.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.743 -179.321 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -71.06 -41.93 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.629 HG21 ' HG3' ' A' ' 115' ' ' LYS . 34.5 m -101.23 -19.97 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.554 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.629 ' HG3' HG21 ' A' ' 114' ' ' VAL . 24.5 mtpp -119.4 111.25 17.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.683 0.277 . . . . 0.0 111.432 -175.929 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.51 20.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 110.476 172.82 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.474 ' CD ' HH21 ' A' ' 84' ' ' ARG . 28.4 mt-10 -105.15 -0.06 26.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.999 -174.475 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -111.46 -170.82 1.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.477 -169.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.45 -75.37 0.05 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.294 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.576 ' HB2' ' CG ' ' A' ' 179' ' ' LYS . 65.6 mmtt -157.09 161.49 39.44 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.386 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mt -109.67 102.84 51.5 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 -177.813 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_endo -88.42 116.62 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.757 2.971 . . . . 0.0 112.638 179.6 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.75 152.39 24.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.301 176.955 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.645 HD11 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -136.08 120.81 18.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.712 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.702 HG23 HD11 ' A' ' 91' ' ' LEU . 10.7 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.531 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -109.01 116.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -174.366 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.61 101.41 2.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.634 177.295 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.463 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.4 m120 -82.64 143.9 30.67 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 -178.692 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.431 ' HD2' ' OD1' ' A' ' 131' ' ' ASP . 23.9 tptm 63.34 71.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.789 0.681 . . . . 0.0 110.24 177.768 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.7 p -97.18 9.4 42.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.388 0.614 . . . . 0.0 109.783 176.437 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.431 ' OD1' ' HD2' ' A' ' 129' ' ' LYS . 4.0 m-20 -67.16 -20.97 65.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.218 -176.91 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.6 OUTLIER -72.11 -47.73 49.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 -179.291 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 62.22 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.378 0.671 . . . . 0.0 112.1 -179.132 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.29 -27.65 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.573 -173.647 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 48.5 mtt180 -84.38 17.54 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 -177.331 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -64.17 114.38 4.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.101 0.476 . . . . 0.0 110.753 -178.076 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -176.894 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.84 112.48 32.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 134.61 53.99 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.784 2.322 . . . . 0.0 112.025 -179.571 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.597 HG13 ' HG3' ' A' ' 144' ' ' ARG . 5.4 t -58.77 -26.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.823 178.763 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.31 -36.15 68.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -78.79 -40.87 31.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.342 0.591 . . . . 0.0 110.264 178.722 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.203 179.179 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.597 ' HG3' HG13 ' A' ' 140' ' ' VAL . 78.6 mtp180 -65.09 -34.97 79.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.32 178.253 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -59.18 -45.2 91.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.22 176.351 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 65.9 mmtt -66.13 -36.22 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.133 179.633 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.35 80.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.251 0.548 . . . . 0.0 110.17 174.566 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -72.72 -49.29 32.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.545 178.384 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.11 -43.59 91.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.633 -177.452 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -83.06 -25.62 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -176.692 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.71 45.09 5.29 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.18 -179.651 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.9 m -132.85 -174.91 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 -177.691 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.645 ' HG2' HD11 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -106.08 156.75 18.11 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 175.785 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.41 ' HE2' HG12 ' A' ' 140' ' ' VAL . 78.3 t80 -128.87 123.26 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.164 178.141 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.418 HG13 ' ND2' ' A' ' 164' ' ' ASN . 96.9 t -132.73 125.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -178.61 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -86.05 144.92 27.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.811 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 p -135.65 130.78 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 111.841 -173.223 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 p -118.29 102.3 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.148 175.804 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.35 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.891 -177.113 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.98 -42.95 36.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 178.042 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 16.6 p -110.41 5.24 21.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.408 -179.519 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 64.01 24.57 13.61 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.097 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -80.91 122.42 27.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.878 -174.018 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.418 ' ND2' HG13 ' A' ' 155' ' ' VAL . 1.0 OUTLIER 66.5 11.45 8.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.169 174.394 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.4 t -75.63 -37.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 -177.156 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.37 -38.46 84.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.727 -178.342 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.353 -174.736 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -57.77 -32.89 43.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -173.308 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -75.52 -52.57 10.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 179.244 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -69.09 -39.01 79.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.551 -176.057 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.72 -50.05 75.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.203 -177.532 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.0 tp -67.82 -39.04 83.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.811 -177.491 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.478 ' SD ' HD13 ' A' ' 64' ' ' ILE . 41.8 mtm -60.91 -34.36 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.592 -179.903 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.772 ' HE ' HD13 ' A' ' 57' ' ' LEU . 7.2 mmt85 -75.97 -38.05 57.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.857 178.389 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.606 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.8 mm-40 -61.25 -35.57 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 176.352 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.522 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 83.6 mt -59.11 -40.63 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 109.96 173.744 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.413 HH12 ' CD ' ' A' ' 60' ' ' GLU . 29.6 mtp180 -68.6 -37.59 79.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 m -55.52 -42.76 74.98 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.408 0.623 . . . . 0.0 110.011 174.474 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.3 mptt -70.69 -41.45 71.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.534 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 75.1 mmtt -62.56 -33.19 74.44 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.248 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.5 mtt -71.9 -37.93 70.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.476 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 12.9 t 61.19 99.32 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 O-C-N 124.052 0.845 . . . . 0.0 111.987 178.066 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 64.19 47.19 3.32 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.634 0.731 . . . . 0.0 110.747 175.666 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -85.06 83.63 7.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.432 0.634 . . . . 0.0 109.431 177.813 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.514 179.905 . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' B' B ' 392' ' ' SER . . . . . 0.719 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 70.3 m 53.11 52.01 14.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.853 0.358 . . . . 0.0 110.957 -178.683 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -38.64 78.73 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.61 -176.328 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 394' ' ' THR . . . . . 0.524 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.6 m -85.94 -40.16 16.17 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.349 -178.602 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 395' ' ' GLN . . . . . 0.719 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 52.2 mt-30 -60.69 -36.17 78.09 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.11 178.063 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 396' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.05 -55.18 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.952 0.406 . . . . 0.0 110.726 177.475 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.82 95.03 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.233 178.69 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . 0.524 HG12 ' O ' ' B' ' 394' ' ' THR . 45.5 mm -61.5 -47.69 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 110.714 177.655 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 399' ' ' LYS . . . . . 0.48 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 56.5 mtpt -63.8 -36.88 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.183 -178.132 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 400' ' ' GLU . . . . . 0.614 ' HG2' HH21 ' B' ' 403' ' ' ARG . 32.6 mt-10 -68.03 -36.06 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.246 176.832 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.98 -39.59 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.96 177.252 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 402' ' ' ILE . . . . . 0.523 ' HA ' HD12 ' B' ' 439' ' ' LEU . 96.6 mt -56.14 -53.15 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.228 174.263 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 403' ' ' ARG . . . . . 0.614 HH21 ' HG2' ' B' ' 400' ' ' GLU . 49.8 mtm180 -55.57 -38.16 69.01 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.032 0.444 . . . . 0.0 110.873 -178.777 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 404' ' ' ARG . . . . . 0.669 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.3 ttm180 -62.17 -52.09 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.779 -179.756 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 405' ' ' GLN . . . . . 0.592 HE21 HG22 ' B' ' 432' ' ' VAL . 15.5 mm100 -73.0 -27.44 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.61 -177.455 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.52 -54.12 50.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.39 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.69 -41.29 97.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.152 -179.462 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 408' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 60.7 mt -60.2 -50.86 72.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 -179.223 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 409' ' ' LEU . . . . . 0.558 HD11 ' OH ' ' A' ' 82' ' ' TYR . 42.4 tp -70.18 -36.17 74.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.016 178.986 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.45 -47.65 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.421 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.3 t -59.77 -40.98 90.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.004 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 412' ' ' LEU . . . . . 0.76 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 56.6 mt -58.73 -49.69 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 173.739 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -57.29 -48.47 78.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.395 -177.992 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.55 -31.53 69.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -176.697 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.17 -48.2 62.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.621 178.342 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 416' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 23.3 mt -61.61 -42.15 98.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.47 -9.76 28.42 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.442 -178.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.48 -10.51 85.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.511 173.7 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.24 16.15 11.63 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.529 178.898 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 420' ' ' ILE . . . . . 0.645 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 25.2 mt -131.98 117.45 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 O-C-N 122.838 -0.213 . . . . 0.0 111.211 -178.451 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 421' ' ' LYS . . . . . 0.468 ' CB ' HD21 ' B' ' 416' ' ' LEU . 0.0 OUTLIER -135.5 165.14 26.21 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 172.185 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' B' B ' 422' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 20.5 t70 -147.79 154.35 40.37 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.084 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.45 -30.41 68.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 -177.589 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -35.48 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.12 177.647 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 425' ' ' LYS . . . . . 0.596 ' O ' ' HG ' ' B' ' 429' ' ' LEU . 20.0 mttt -73.37 -43.94 59.65 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -177.152 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 426' ' ' GLU . . . . . 0.584 ' HA ' HD11 ' B' ' 429' ' ' LEU . 1.1 mm-40 -57.15 -41.64 79.52 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.086 -177.502 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.586 178.785 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 428' ' ' ARG . . . . . 0.509 ' O ' HG11 ' B' ' 432' ' ' VAL . 23.8 mmt180 -59.53 -40.97 88.91 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.012 176.269 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 429' ' ' LEU . . . . . 0.657 HD12 HD11 ' B' ' 416' ' ' LEU . 84.1 mt -55.82 -54.87 39.21 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.723 -177.514 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 430' ' ' TRP . . . . . 0.539 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 57.8 m95 -61.31 -41.57 97.21 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.197 0.311 . . . . 0.0 111.745 -178.017 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 431' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 7.9 tp10 -70.65 -53.79 14.43 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.265 -176.145 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 432' ' ' VAL . . . . . 0.592 HG22 HE21 ' B' ' 405' ' ' GLN . 12.3 p -60.61 -33.73 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 0.0 110.709 -179.512 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 433' ' ' GLN . . . . . 0.449 ' HG3' ' HB3' ' A' ' 50' ' ' SER . 25.9 tp60 -56.29 -53.31 58.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.303 177.766 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 434' ' ' ARG . . . . . 0.636 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 0.0 OUTLIER -71.04 -26.61 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.505 -179.059 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' B' B ' 435' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' B' ' 432' ' ' VAL . 84.1 mt -66.2 -47.96 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.56 175.588 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 436' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' B' ' 439' ' ' LEU . 49.8 tp -58.1 -40.63 81.67 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.782 0.325 . . . . 0.0 111.692 176.359 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 437' ' ' THR . . . . . 0.521 HG23 ' HA ' ' B' ' 434' ' ' ARG . 4.1 t -74.24 -31.6 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 -177.299 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 438' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.91 -37.0 86.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.974 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 439' ' ' LEU . . . . . 1.065 HD22 ' HD3' ' B' ' 442' ' ' LYS . 63.9 mt -62.0 -37.12 83.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.788 176.168 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.25 -38.84 81.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 109.571 175.246 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -66.68 -44.66 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.264 177.851 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 1.065 ' HD3' HD22 ' B' ' 439' ' ' LEU . 53.6 mtpt -58.24 -40.48 81.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.159 178.468 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 443' ' ' LEU . . . . . 0.432 ' HB2' HD13 ' B' ' 402' ' ' ILE . 62.5 tp -61.21 -42.93 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.012 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.057 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -90.32 -39.21 12.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.95 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' B' B ' 446' ' ' ALA . . . . . 0.418 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.294 -176.765 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.433 ' O2A' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -84.79 2.54 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -124.93 124.45 42.07 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.219 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -123.86 138.73 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.661 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ASP . 62.3 mmtt -118.11 116.31 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 66' ' ' ILE . 97.7 t -129.68 121.93 53.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 0.0 111.208 -176.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 89' ' ' PHE . 57.5 mt -105.14 131.75 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.09 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.549 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 44.3 ttm -111.06 118.65 36.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.891 0.376 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.08 162.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.32 -165.76 20.99 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 21.3 t -92.97 4.95 53.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.653 0.74 . . . . 0.0 109.762 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.68 -64.94 0.49 Allowed Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.93 -91.17 1.77 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.1 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG11 HG12 ' A' ' 92' ' ' VAL . 96.8 t 71.23 -51.75 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.415 0.686 . . . . 0.0 111.448 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.03 24.38 0.32 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.55 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.5 pttp -81.25 12.15 3.76 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -106.8 -33.34 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.18 69.14 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.99 -39.81 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.159 0.504 . . . . 0.0 110.707 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -49.88 66.97 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.256 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD22 HG22 ' A' ' 40' ' ' VAL . 10.8 mp -62.52 -35.06 78.2 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 121.288 -0.165 . . . . 0.0 111.204 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.77 -48.93 79.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.597 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -71.17 -14.43 62.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.521 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.571 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 72.0 mtm -106.49 -47.5 3.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.07 -13.18 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.32 23.16 13.66 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.881 0.372 . . . . 0.0 110.646 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -116.0 145.03 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.661 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -84.69 143.19 29.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.672 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 32' ' ' LEU . 45.8 t -68.1 100.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.859 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.96 -59.96 2.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.202 0.525 . . . . 0.0 109.596 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -154.15 102.69 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.284 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.8 93.4 2.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 41.7 tt0 -75.26 -64.0 0.64 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.417 -172.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 38.9 Cg_exo -27.67 -104.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.963 3.775 . . . . 0.0 115.699 -167.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.467 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 51.3 p 43.6 37.01 1.34 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.114 0.566 . . . . 0.0 112.318 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -84.63 -55.08 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' CB ' ' HE1' ' B' ' 413' ' ' HIS . . . -125.44 -9.99 6.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.812 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.93 119.03 15.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.8 m -153.3 156.2 37.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.879 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -124.03 162.96 22.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.545 ' NH1' ' HB3' ' B' ' 434' ' ' ARG . 33.7 mtm180 -104.62 144.49 31.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.202 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 55.6 tptt -106.28 128.83 54.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.939 0.399 . . . . 0.0 111.108 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.26 115.92 26.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.829 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.8 m -126.85 146.2 33.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.29 114.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.335 0.588 . . . . 0.0 110.035 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mp -102.76 100.77 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.551 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 62.99 16.91 9.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.834 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.28 -30.78 2.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 119.62 -1.276 . . . . 0.0 114.136 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.85 129.07 43.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.813 0.807 . . . . 0.0 110.424 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.66 109.53 14.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -106.45 142.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.518 -171.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.58 123.71 50.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.293 0.568 . . . . 0.0 111.108 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -108.57 121.21 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.575 0.702 . . . . 0.0 110.009 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.687 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 46.4 t0 -95.66 110.75 22.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.472 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 17' ' ' VAL . 27.7 mm -110.21 142.74 21.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -131.16 117.73 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.491 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.467 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 38.4 t0 -91.3 91.33 8.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.2 p -88.18 144.4 26.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.814 -169.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -69.4 130.62 43.05 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.999 171.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.24 97.64 0.22 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.587 ' HG ' ' N ' ' A' ' 73' ' ' GLU . 2.4 pt? -142.14 -58.26 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 9.5 tp10 176.08 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.895 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.11 -72.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.743 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.431 ' HB3' HD12 ' A' ' 78' ' ' ILE . 95.6 m-85 -80.26 53.42 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.668 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -18.96 65.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.399 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -71.58 -10.33 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.479 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 50.6 mt -101.11 -34.37 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.835 0.35 . . . . 0.0 110.07 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 51.4 ttp180 -86.89 -65.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 4.2 m-20 -74.54 -46.67 37.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 -171.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.45 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 11.5 m120 -70.01 -15.96 63.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.884 -174.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 15.2 m-85 -93.32 -9.61 38.28 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 5.1 m-30 -63.14 -22.93 67.19 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.533 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -58.91 -54.62 45.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 111.793 -174.01 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 2.3 m -91.37 37.97 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.923 0.392 . . . . 0.0 111.936 -169.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.37 122.09 4.29 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.53 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.567 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 32.7 mm-40 -65.22 -74.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.757 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.14 155.87 18.6 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.634 -173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 18' ' ' ILE . 92.6 m-85 -130.03 135.85 48.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.969 0.414 . . . . 0.0 111.092 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.2 mt -106.99 112.89 26.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.929 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 125' ' ' VAL . 48.9 mt -89.47 106.42 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 ' HB ' ' A' ' 126' ' ' VAL . 44.7 t -110.54 117.3 54.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -173.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -138.33 172.9 12.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.34 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -121.22 146.52 46.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.46 5.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.885 HG23 HD22 ' A' ' 132' ' ' LEU . 6.3 p -89.49 -17.64 28.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.0 109.742 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HB2' ' OG ' ' A' ' 100' ' ' SER . 45.0 mt-10 -110.32 106.7 16.17 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.059 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.88 -23.9 59.65 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.66 -48.27 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.839 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 13.4 p -70.58 -24.33 62.75 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.433 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.51 -48.84 75.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 m -65.4 -32.36 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.633 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.29 62.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.56 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.6 p -58.3 -39.43 79.31 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.048 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.79 81.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.544 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.71 -46.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.807 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.01 -44.38 91.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.228 0.537 . . . . 0.0 110.033 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 112' ' ' LEU . 61.8 ttt180 -55.91 -51.25 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.702 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 37.7 mt-10 -69.26 -32.2 71.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.837 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.219 0.533 . . . . 0.0 110.076 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.91 -41.35 81.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.78 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.8 mm? -61.96 -33.08 73.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 55.5 mtp180 -70.27 -21.97 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.482 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.6 m -110.21 -17.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.445 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.525 ' HD2' ' OE1' ' A' ' 118' ' ' GLU . 15.5 mtmt -136.42 118.33 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.725 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.26 -31.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.04 4.82 49.07 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.525 ' OE1' ' HD2' ' A' ' 115' ' ' LYS . 11.1 pt-20 -86.73 -169.36 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.568 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -82.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.078 0.236 . . . . 0.0 111.407 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.824 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 12.4 mmmm -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 -175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.1 mt -102.47 104.19 36.37 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.779 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_exo -72.94 120.64 6.75 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.17 2.58 . . . . 0.0 111.918 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 89' ' ' PHE . 77.7 mt -119.61 129.27 54.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.8 tp -130.91 119.75 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.015 0.435 . . . . 0.0 109.866 175.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.492 HG22 HD12 ' A' ' 91' ' ' LEU . 12.6 t -90.3 121.5 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.691 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.595 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -110.29 120.95 62.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.49 -175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.46 115.96 5.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 56.4 t30 -101.42 155.6 17.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.71 ' HB3' HD23 ' A' ' 132' ' ' LEU . 25.3 mmmt 77.09 42.15 0.14 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.024 0.827 . . . . 0.0 112.302 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -70.97 15.08 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.248 0.547 . . . . 0.0 110.868 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 129' ' ' LYS . 3.5 p-10 -103.62 -1.48 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.453 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 96' ' ' THR . 2.7 pp -83.88 -45.65 13.0 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.318 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 132' ' ' LEU . 41.5 tt0 62.2 -77.66 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.806 0.843 . . . . 0.0 112.74 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.14 -16.43 59.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.82 7.16 15.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -60.4 119.43 7.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.303 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.46 -16.82 14.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.3 p -128.93 121.38 20.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 24.3 Cg_exo -63.3 132.85 37.79 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.909 2.406 . . . . 0.0 112.281 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.608 HG12 ' HG3' ' A' ' 144' ' ' ARG . 18.2 t -63.4 -22.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.636 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.5 -47.32 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.029 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 15.7 pt-20 -81.52 -27.56 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.98 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.608 ' HG3' HG12 ' A' ' 140' ' ' VAL . 38.4 mtp180 -70.33 -32.76 70.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.029 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.5 t -63.36 -35.48 80.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 67.3 mmtt -65.24 -36.87 85.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.877 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.88 -45.58 89.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 0.0 110.014 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.57 -37.58 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.523 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.56 -39.02 86.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.101 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.413 ' HB2' HG22 ' A' ' 152' ' ' VAL . 35.7 m0 -97.55 -5.75 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.53 30.39 60.24 Favored Glycine 0 C--O 1.228 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.16 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 150' ' ' TRP . 29.5 m -120.28 -170.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.764 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -114.82 150.67 35.13 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.29 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.527 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 85.6 t80 -121.15 124.15 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.507 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.67 134.21 66.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.19 130.29 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.033 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -137.62 173.44 11.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.123 0.487 . . . . 0.0 110.852 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.0 t -169.83 135.94 1.5 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.32 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.03 -6.99 58.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.727 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -77.89 -51.72 9.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.511 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -89.94 -17.82 27.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.886 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 61.44 66.43 0.86 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.628 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -130.72 132.73 45.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.31 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 65.93 16.04 10.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.24 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.529 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 90.7 t -71.15 -42.77 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -52.65 -57.52 9.77 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.54 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.24 -33.84 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 51.2 m-85 -74.97 -51.2 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.9 m-85 -66.17 -43.85 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.195 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.64 -49.3 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.775 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 90' ' ' LEU . 45.5 tp -67.21 -39.42 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 16.2 ptp -67.1 -29.58 69.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.742 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 18.4 mmm180 -69.33 -39.16 78.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.284 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.58 -35.34 74.11 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.911 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.27 -32.93 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.916 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -65.56 -43.47 89.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.206 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.4 m -62.8 -37.74 87.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.824 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.3 mptt -68.48 -39.43 81.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.075 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -74.14 -23.98 59.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 175.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -64.51 -28.07 69.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.67 -54.51 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.087 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.61 -35.06 91.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.059 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 442' ' ' LYS . 42.9 mm -65.13 -48.78 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.847 177.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.61 -42.45 92.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.102 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.606 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 7.4 tp10 -68.81 -42.08 77.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' B' ' 443' ' ' LEU . 96.3 mt -55.68 -49.54 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.046 175.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.09 -37.78 75.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.606 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 37.4 ttm180 -63.96 -42.92 97.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.528 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.0 mm-40 -71.12 -38.44 72.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.133 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.04 -41.14 96.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.078 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.29 -48.38 81.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.512 ' HB2' HG21 ' B' ' 432' ' ' VAL . 62.8 mt -56.8 -46.9 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.533 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.482 HD11 ' OH ' ' A' ' 82' ' ' TYR . 12.9 tp -67.96 -46.56 71.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.3 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.38 -48.79 79.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.435 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -59.91 -52.98 63.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.57 ' HB3' HD21 ' B' ' 429' ' ' LEU . 31.2 mt -56.15 -31.2 63.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.023 0.439 . . . . 0.0 111.064 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.453 ' HE1' ' CB ' ' A' ' 48' ' ' ALA . 28.6 m170 -72.52 -48.77 37.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.213 -0.305 . . . . 0.0 111.222 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -68.81 -43.12 76.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 111.032 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.3 -44.76 96.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.469 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.69 HD22 HD11 ' B' ' 429' ' ' LEU . 10.2 mp -75.65 -27.57 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -63.98 -22.01 66.74 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.482 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.61 -2.33 74.97 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.549 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.33 -7.21 51.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.575 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.8 mt -93.62 115.18 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.665 ' HA ' ' HD2' ' B' ' 425' ' ' LYS . 0.0 OUTLIER -146.47 154.4 41.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.136 0.493 . . . . 0.0 109.773 176.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 18.7 t70 -147.62 158.57 44.06 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.431 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 8.5 mp -64.02 -26.82 68.74 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.364 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.9 m -65.48 -36.18 83.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.494 0.664 . . . . 0.0 109.393 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 22.4 mttm -73.91 -45.4 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.54 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 36.9 mt-10 -60.38 -45.49 93.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.018 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -68.15 -41.81 81.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 110.473 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.56 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.6 tpt180 -66.57 -32.9 74.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.69 HD11 HD22 ' B' ' 416' ' ' LEU . 12.4 mt -56.17 -53.05 61.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.595 ' HB3' ' CZ ' ' B' ' 434' ' ' ARG . 25.2 m95 -63.12 -45.53 91.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.622 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.446 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 39.9 tt0 -57.83 -54.77 43.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.76 -175.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.69 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.3 p -64.58 -34.25 68.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 0.0 110.796 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 33.2 tp60 -55.97 -47.79 77.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.595 ' CZ ' ' HB3' ' B' ' 430' ' ' TRP . 27.2 mtt180 -65.66 -28.46 69.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.491 . . . . 0.0 110.545 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' B' ' 432' ' ' VAL . 44.7 mt -75.76 -39.26 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.064 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -58.38 -45.94 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.343 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.4 t -70.56 -32.57 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 110.271 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.71 -36.75 76.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.208 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.3 mm? -63.86 -35.93 82.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.017 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -57.49 -42.93 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.437 0.636 . . . . 0.0 109.746 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.54 89.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.466 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.5 mmmt -58.7 -35.75 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.489 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.631 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -64.01 -47.51 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 444' ' ' ARG . 36.4 mtm180 -82.23 -1.97 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.8 -42.09 20.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.012 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.233 -176.186 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 177' ' ' ARG . 97.3 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.93 7.52 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.5 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 13' ' ' ALA . 3.5 mm? -126.33 125.42 42.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.553 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -135.5 125.31 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -112.32 114.82 27.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.162 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 96.0 t -115.44 129.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 110.922 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -111.65 125.48 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.349 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtt -97.85 117.27 31.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.844 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.49 176.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.266 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.9 -161.83 30.52 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.875 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 p -84.7 -9.59 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.386 0.612 . . . . 0.0 110.437 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.53 -49.32 0.9 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.262 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . . . -89.32 -102.78 1.06 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.855 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t 70.16 -51.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.481 0.712 . . . . 0.0 112.033 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.08 17.48 0.89 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.695 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -60.36 -47.09 87.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.665 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.2 m -68.32 -25.15 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.0 111.13 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.8 -49.85 35.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.614 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.459 HG22 HG21 ' A' ' 66' ' ' ILE . 19.0 p -66.37 -35.97 81.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.685 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD23 ' HB ' ' A' ' 40' ' ' VAL . 23.0 tp -76.03 -31.52 58.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.567 ' HB2' HG11 ' A' ' 165' ' ' VAL . 19.3 mm100 -69.15 -36.79 77.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.24 -2.25 21.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.297 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 39.7 tpp -106.11 -57.71 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -96.31 -105.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.483 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 177.79 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.028 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.13 165.53 12.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -76.52 142.3 40.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.898 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' HD23 ' A' ' 32' ' ' LEU . 6.2 p -75.43 133.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.529 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -126.35 -32.91 2.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.207 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -144.97 109.4 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.769 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -166.95 100.73 0.54 Allowed 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.602 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 31.4 mt-10 -91.18 -59.99 0.22 Allowed Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -172.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -74.93 110.3 3.09 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.488 2.125 . . . . 0.0 114.544 -166.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.705 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 42.3 p -145.82 7.13 1.07 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.576 170.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.57 -56.51 13.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.144 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.92 26.92 6.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -135.73 101.03 4.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.689 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.5 p -108.81 167.98 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.856 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.457 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.5 t80 -131.9 104.61 6.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.199 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -84.56 133.63 34.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.314 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -137.04 177.3 7.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -178.009 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 39.7 ttmt -106.53 127.84 53.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.707 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.86 146.72 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.286 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.66 103.76 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.783 0.802 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.99 97.72 9.98 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 36.82 81.27 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.789 1.305 . . . . 0.0 112.648 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.41 -99.66 0.2 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.744 -1.217 . . . . 0.0 113.908 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.6 pt-20 -123.45 163.92 19.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 0.0 111.079 -172.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.619 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 36.1 mt-10 -65.11 111.1 2.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.704 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -109.09 145.35 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.82 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -114.84 134.9 54.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.241 0.543 . . . . 0.0 110.861 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 ' SD ' ' A' ' 173' ' ' MET . 17.6 tt -129.7 142.02 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.082 -173.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -129.53 138.41 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.715 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 31' ' ' THR . 15.2 mm -127.45 127.19 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.415 0.15 . . . . 0.0 111.068 -173.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 115.28 27.65 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.705 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 26.2 t70 -92.82 83.69 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.2 p -80.02 157.05 26.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.711 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 151.33 22.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.8 62.03 0.81 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.078 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -149.12 151.5 34.5 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 122.193 0.197 . . . . 0.0 110.581 -178.212 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -77.35 -16.33 58.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -49.39 -63.09 1.21 Allowed 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.301 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.476 ' H ' HD13 ' A' ' 72' ' ' LEU . 78.6 m-85 -94.3 74.81 3.94 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.122 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.01 -21.49 66.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.359 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.56 -6.66 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.574 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.3 mt -106.36 -37.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.092 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 1.8 mtm180 -92.34 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.547 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.37 -46.16 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.194 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.786 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 12.9 m120 -77.22 -16.15 59.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.842 -175.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.86 6.35 48.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 176.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' A' ' 114' ' ' VAL . 6.5 m-85 -79.88 -159.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.634 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' H ' ' HB3' ' A' ' 83' ' ' PHE . 31.0 mmm180 69.38 -69.45 0.16 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.058 0.543 . . . . 0.0 111.8 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 -14.48 61.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 146.74 37.47 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.927 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -105.27 -71.83 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 110.292 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.68 145.67 17.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.712 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.2 128.69 47.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 111.071 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 124' ' ' LEU . 80.7 mt -104.96 113.28 26.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.482 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.3 106.31 17.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.897 HG12 ' HB ' ' A' ' 126' ' ' VAL . 26.8 m -116.25 134.18 60.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 111.106 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -147.84 154.18 40.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.561 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.3 p -93.11 152.0 19.52 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.851 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.94 -4.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.915 0.388 . . . . 0.0 111.086 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -91.6 4.15 53.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.805 174.5 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.53 93.16 3.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.942 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -71.78 -29.3 64.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.23 -53.89 31.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 m -60.73 -27.33 67.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.424 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.16 -49.88 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 m -68.13 -28.3 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.286 0.565 . . . . 0.0 110.431 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.95 63.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.124 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 39.8 p -56.11 -37.06 68.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.252 0.549 . . . . 0.0 111.033 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.22 -35.78 74.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.388 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.61 -39.56 80.8 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.41 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.92 -50.26 73.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 111' ' ' ILE . 14.0 ptm180 -63.83 -38.45 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.099 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -67.24 -37.28 83.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 110.651 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.87 -35.58 81.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 109.739 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 86.0 mt -66.42 -51.2 60.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.558 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' HA ' ' H ' ' A' ' 116' ' ' ALA . 8.6 mp -69.75 -20.95 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 113' ' ' ARG . 26.0 ttp85 -61.55 -34.98 76.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 83' ' ' PHE . 19.9 m -104.24 -10.04 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.98 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.697 ' HB3' ' HG3' ' A' ' 118' ' ' GLU . 42.4 mttm -121.55 -87.73 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.027 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.496 ' H ' ' HA ' ' A' ' 112' ' ' LEU . . . 66.15 -74.47 0.06 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.485 0.714 . . . . 0.0 112.091 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.35 42.31 0.94 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.703 0.287 . . . . 0.0 111.423 -173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.697 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 5.2 mm-40 -102.2 -33.1 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' HB3' ' HD2' ' A' ' 120' ' ' LYS . 31.8 t70 75.23 -48.51 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.37 0.668 . . . . 0.0 111.762 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 179' ' ' LYS . 2.5 mptp? -84.1 50.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 -173.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 115' ' ' LYS . 52.4 mt -114.92 90.15 21.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 2.6 Cg_endo -87.25 131.79 3.08 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.173 2.582 . . . . 0.0 111.72 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -117.62 122.87 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 0.0 110.649 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 11.2 tp -119.09 122.75 42.79 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.421 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.6 t -88.57 126.86 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.511 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.897 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -127.44 129.78 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.157 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.07 138.6 13.95 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -136.13 179.54 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.335 0.567 . . . . 0.0 110.704 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 62.98 63.83 0.91 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.423 0.689 . . . . 0.0 111.164 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -82.62 5.32 21.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.6 -30.22 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 112.045 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.646 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -83.37 -58.38 2.86 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.57 -176.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.578 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 40.3 tt0 67.55 -67.48 0.18 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.679 0.791 . . . . 0.0 111.683 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.77 -34.23 77.86 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -86.27 26.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.648 0.737 . . . . 0.0 110.794 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.851 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.4 ttm180 -66.0 113.68 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.099 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -78.15 -40.93 36.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.25 0.548 . . . . 0.0 110.854 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -108.75 124.73 33.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.962 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.3 Cg_exo -56.42 114.42 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.34 2.027 . . . . 0.0 110.762 175.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -69.79 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 110.235 -174.354 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.11 -48.05 83.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.0 pt-20 -77.56 -19.55 55.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.514 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.95 79.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.5 mtp180 -65.4 -35.0 79.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.825 173.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.3 t -63.2 -33.59 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.2 mmtt -66.09 -35.71 81.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 0.0 111.232 176.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.41 98.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.071 0.463 . . . . 0.0 109.78 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.98 -44.79 95.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.955 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -58.54 -41.39 85.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.397 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -91.4 -13.83 31.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.597 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.78 34.43 18.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.296 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.08 -168.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.592 0.234 . . . . 0.0 110.979 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 3.2 pm0 -112.53 157.27 21.34 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.53 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -124.25 125.55 44.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.57 128.58 72.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -86.08 134.77 33.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.561 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.0 p -126.37 134.92 50.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.262 0.553 . . . . 0.0 111.455 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.4 m -113.14 97.66 6.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.332 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.4 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -66.68 -45.35 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.419 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 26.2 p -88.2 -3.59 58.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 61.47 49.04 5.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -117.24 139.25 51.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.573 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 70.18 10.22 7.27 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.847 0.717 . . . . 0.0 111.922 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 33' ' ' GLN . 60.2 t -67.4 -47.59 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.42 -28.63 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.844 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.25 -52.55 64.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.896 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.63 -28.34 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.965 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.02 -56.59 4.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 22.3 m-85 -62.52 -41.12 98.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.509 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.03 -41.7 97.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.427 HD22 ' HG ' ' A' ' 90' ' ' LEU . 34.5 tp -65.83 -38.94 90.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.497 ' SD ' HD12 ' A' ' 64' ' ' ILE . 54.3 mtp -61.09 -31.24 70.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.707 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 1.5 mmt85 -68.82 -45.2 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.629 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 122' ' ' PRO . 13.6 mt-10 -58.14 -39.81 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.325 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.632 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 72.6 mt -56.38 -41.1 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.543 ' HG2' HD22 ' A' ' 12' ' ' LEU . 40.3 mtt180 -61.59 -45.03 95.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.627 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -39.47 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.509 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.747 ' HB3' ' HG3' ' A' ' 120' ' ' LYS . 14.5 mptt -69.88 -31.87 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.8 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 70.3 mmtt -66.36 -51.73 54.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.309 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.321 -176.782 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.304 0.573 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 41.8 mt-30 -57.58 -35.78 70.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.749 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.7 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.71 -43.98 98.18 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.708 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 402' ' ' ILE . 23.9 mm -56.36 -51.93 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' B' ' 402' ' ' ILE . 8.7 mtpm? -62.1 -40.3 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -176.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 1.4 mm-40 -65.28 -30.58 71.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.2 mt -58.31 -50.35 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.573 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 25.0 mmt180 -63.03 -33.06 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 177.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 72.0 ttt180 -60.61 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.54 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.432 ' HB2' HD13 ' B' ' 436' ' ' LEU . 72.7 mm-40 -69.46 -36.27 76.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 47.7 mt-10 -59.69 -44.57 93.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.07 175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.6 -45.59 92.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.5 mt -58.31 -51.42 69.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' B' ' 413' ' ' HIS . 23.7 tp -58.97 -48.58 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.774 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -55.77 -39.57 71.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.722 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -58.79 -53.48 57.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.414 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 5.7 mp -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.519 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' B' ' 409' ' ' LEU . 0.3 OUTLIER -57.79 -43.85 85.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.63 -39.95 50.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.03 -49.96 63.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.401 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 64.2 mt -62.84 -24.55 67.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.538 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.73 -17.16 54.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 111.386 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.13 -2.94 84.39 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.655 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.77 -18.78 34.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.141 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.6 mt -75.17 126.32 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -153.95 154.08 33.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.457 0.646 . . . . 0.0 110.336 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.691 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 20.8 t70 -148.01 162.91 38.4 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.96 0.409 . . . . 0.0 110.656 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.7 m -66.44 -32.15 73.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 43.1 mmtt -73.87 -49.42 25.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.229 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.98 -43.12 91.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.307 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.75 -34.88 79.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.689 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.9 tpt180 -65.51 -47.35 76.26 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 8.5 mp -56.4 -49.66 73.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 16' ' ' LYS . 65.5 m95 -57.39 -32.08 66.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.875 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 434' ' ' ARG . 9.3 tp10 -68.97 -54.25 16.32 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.213 0.32 . . . . 0.0 110.898 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.6 t -65.8 -38.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 110.584 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -56.52 -49.61 74.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.393 1.092 . . . . 0.0 109.514 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 431' ' ' GLU . 6.1 ttt180 -56.65 -45.78 81.41 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.063 -1.88 . . . . 0.0 111.671 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' B' ' 432' ' ' VAL . 26.8 mt -65.18 -49.41 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' B' ' 405' ' ' GLN . 38.7 tp -58.43 -42.42 87.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.457 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.7 t -70.34 -42.36 71.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.8 0.333 . . . . 0.0 111.012 -175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.94 -35.37 80.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.388 0.614 . . . . 0.0 109.89 176.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.25 -32.8 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.069 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.99 -36.65 85.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.971 0.415 . . . . 0.0 110.276 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.481 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 0.6 OUTLIER -66.86 -40.04 87.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -57.37 -35.41 69.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.164 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.52 ' HA ' HG21 ' B' ' 398' ' ' ILE . 2.6 tm? -63.26 -50.39 70.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.328 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -74.54 -12.38 60.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.734 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -79.8 -16.71 54.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 109.677 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.444 179.067 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.384 0 CA-C-O 120.97 0.414 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -93.96 14.08 20.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 33.0 tp -119.61 115.33 23.75 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -125.8 142.93 51.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.775 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 31.3 mmtp -119.23 116.6 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.12 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' HB ' HD13 ' A' ' 66' ' ' ILE . 57.3 t -123.49 113.02 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.0 110.426 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.684 HG12 HD12 ' A' ' 67' ' ' LEU . 56.5 mt -101.65 127.31 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.789 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.499 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 38.5 mtt -95.9 110.07 22.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.422 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -95.3 145.97 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 163.7 -170.67 39.12 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.549 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 4.1 p -84.6 -24.31 29.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.555 0.693 . . . . 0.0 110.172 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.46 -41.64 1.34 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.925 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -122.67 4.88 Favored Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 93' ' ' PHE . 60.9 t 68.31 -52.13 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.544 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.65 32.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 20.4 ttpp -86.72 -63.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.271 . . . . 0.0 111.221 -172.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -64.75 -16.6 63.2 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.14 74.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.81 -37.32 76.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -61.62 -53.99 48.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.509 -176.241 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.06 -31.37 71.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.525 0.202 . . . . 0.0 111.199 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 63.3 mm-40 -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.576 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 67.8 t80 -73.66 -33.18 64.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.247 0.546 . . . . 0.0 110.374 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.4 mtp -75.92 -62.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.001 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -119.42 -2.65 10.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 37.2 t70 69.78 16.69 7.81 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.43 145.74 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.733 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.1 148.57 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.46 105.74 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.98 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.5 -40.49 9.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -160.47 101.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.264 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -155.75 114.69 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.736 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 31.4 tt0 -96.5 -59.62 0.17 Allowed Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 11.6 Cg_endo -52.45 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.158 2.572 . . . . 0.0 114.819 -166.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -153.96 65.14 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.368 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -86.33 -59.72 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 109.722 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.13 7.01 6.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.877 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.15 112.74 1.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.974 -171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 1.3 m -104.37 149.07 25.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.863 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.76 112.05 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.319 0.581 . . . . 0.0 111.071 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -75.53 107.09 7.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -100.92 130.03 46.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.034 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -86.9 112.54 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 53' ' ' LYS . 18.6 m -134.56 153.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.78 136.74 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.726 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 57' ' ' LEU . 2.6 pt? -120.25 96.76 5.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 46.58 75.5 0.12 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.21 -132.13 2.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.497 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 pt-20 -95.63 157.53 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.262 0.225 . . . . 0.0 110.641 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.47 111.37 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 60' ' ' GLU . 92.1 t -106.41 141.36 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 -172.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -113.47 117.88 32.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.858 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.5 tt -109.74 125.1 66.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.941 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -107.46 135.48 48.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 HG23 ' A' ' 31' ' ' THR . 42.5 mm -118.32 126.24 74.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.471 -172.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 HG12 ' A' ' 18' ' ' ILE . 33.7 mt -98.55 103.97 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.53 80.22 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.9 p -76.52 159.95 29.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.424 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 125.0 35.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.546 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -86.05 66.52 3.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.181 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -132.74 -178.31 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.596 0.236 . . . . 0.0 110.736 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -103.06 0.32 31.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.7 m-20 -74.6 -73.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.612 . . . . 0.0 111.306 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.44 ' CB ' HD12 ' A' ' 78' ' ' ILE . 76.6 m-85 -79.82 71.19 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.022 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.56 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.41 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -65.0 -23.1 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.186 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 75' ' ' TYR . 63.0 mt -95.06 -15.85 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.416 0.627 . . . . 0.0 110.181 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -91.61 -63.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.989 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.66 -57.25 4.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.27 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.69 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 8.3 m120 -71.03 -36.09 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.12 -169.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -31.64 70.29 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 9.1 m-30 -65.63 -27.26 68.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 2.1 tmm_? -60.61 -30.27 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 41.9 m -104.12 19.27 20.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.197 0.522 . . . . 0.0 111.175 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -98.24 -164.99 31.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.832 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.52 ' OE2' HG23 ' A' ' 176' ' ' ILE . 79.1 tt0 -155.96 -75.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.055 0.427 . . . . 0.0 110.899 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.609 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -89.81 151.16 21.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.523 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' HG ' ' A' ' 123' ' ' LEU . 88.5 m-85 -134.76 134.46 40.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.0 0.429 . . . . 0.0 111.484 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 mt -103.78 125.1 50.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.538 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -97.21 107.64 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.175 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.02 132.78 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.977 0.418 . . . . 0.0 110.849 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.628 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.1 p90 -153.51 165.19 36.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.917 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -116.39 138.81 51.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.09 3.62 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.86 0.362 . . . . 0.0 111.682 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.527 HG23 HD13 ' A' ' 132' ' ' LEU . 2.2 p -94.56 -10.6 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.113 0.482 . . . . 0.0 109.73 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.91 108.91 14.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.859 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -68.16 -24.16 64.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.88 -57.64 11.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.993 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 p -70.27 -24.16 63.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -64.32 -48.06 77.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.461 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 m -65.76 -31.02 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.159 0.504 . . . . 0.0 110.773 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.18 68.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.12 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 68.3 p -55.8 -39.48 71.36 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.792 0.33 . . . . 0.0 111.177 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.17 85.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.323 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.51 -43.16 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.559 ' O ' HG13 ' A' ' 111' ' ' ILE . 24.2 m-85 -57.44 -51.41 69.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -74.16 -33.73 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.72 -174.034 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.15 -37.53 75.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.941 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.0 -30.66 71.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.186 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 108' ' ' ARG . 85.3 mt -63.11 -50.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.126 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.44 -22.14 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -68.08 -46.21 71.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.964 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -87.44 -20.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.702 ' HG3' HG23 ' A' ' 114' ' ' VAL . 44.1 mtmt -127.82 -102.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.24 -42.77 0.47 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.775 0.83 . . . . 0.0 112.761 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.21 34.6 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.41 ' CD ' ' HD2' ' A' ' 115' ' ' LYS . 55.0 mt-10 -97.98 -96.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.816 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -143.74 -72.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 72.9 mmtt -152.42 113.65 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG21 ' A' ' 111' ' ' ILE . 70.5 mt -89.91 108.0 22.91 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-O 120.9 0.381 . . . . 0.0 110.378 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 57.4 Cg_endo -91.13 129.49 1.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.335 2.69 . . . . 0.0 112.474 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 89' ' ' PHE . 5.7 mp -124.99 164.86 19.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -150.16 120.28 7.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.237 175.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 6.9 t -88.6 124.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.228 0.537 . . . . 0.0 109.57 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.1 t -113.95 111.99 38.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.508 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.76 112.38 3.7 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.08 163.64 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.099 0.449 . . . . 0.0 109.837 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.594 ' HB3' HD23 ' A' ' 132' ' ' LEU . 1.2 mptm? 64.17 75.11 0.39 Allowed 'General case' 0 C--O 1.224 -0.26 0 O-C-N 123.698 0.624 . . . . 0.0 112.053 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.4 m -96.03 -2.52 46.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.372 0.606 . . . . 0.0 109.389 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -78.94 -3.31 44.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.846 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.594 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.07 -45.11 9.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 58.52 -78.97 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.136 0.974 . . . . 0.0 112.96 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.35 -14.22 62.72 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.657 0.383 . . . . 0.0 111.941 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 92.4 mtt180 -93.72 11.82 27.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.122 -177.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.685 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 48.7 ttp180 -65.91 113.43 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -94.19 -33.19 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.278 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 3.4 p -101.93 125.81 35.72 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.226 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 50.5 Cg_exo -56.69 110.54 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.734 2.289 . . . . 0.0 111.946 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -67.98 -16.61 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.72 -52.75 63.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.491 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 7.7 pt-20 -74.85 -23.34 58.41 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.089 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 146' ' ' LYS . . . -65.1 -33.51 76.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 110.266 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.2 mtp180 -70.46 -39.29 74.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.685 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 m -60.74 -31.17 70.5 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.641 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 69.9 mmtt -60.07 -47.39 86.07 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.44 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.997 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.29 -48.01 81.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.436 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.75 -42.24 95.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.63 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -76.66 -23.76 53.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.82 40.73 6.59 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.191 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 123' ' ' LEU . 14.1 m -134.79 -170.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.423 . . . . 0.0 110.932 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.756 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -111.19 158.73 18.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.554 176.477 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -126.03 120.18 29.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.82 127.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.745 0.307 . . . . 0.0 110.813 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.53 127.85 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 58.5 p -136.18 171.38 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 111.195 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.9 m -153.31 106.31 2.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.597 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.57 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.653 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -62.11 -36.44 81.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.77 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.7 p -103.29 3.49 35.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 59.41 32.47 21.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.587 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.05 116.72 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.505 -175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.28 17.54 10.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.801 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.45 -38.15 80.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.234 0.54 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.73 -28.22 62.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.559 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 63.8 tttm -60.64 -54.08 49.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.519 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.87 -32.82 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -170.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -70.58 -52.88 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.896 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -68.71 -31.72 71.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 3.0 t70 -62.41 -51.66 66.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.69 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 88' ' ' GLY . 7.3 tt -68.44 -34.63 76.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.305 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.633 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.9 mtm -63.28 -30.49 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.41 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 19.5 mmm180 -66.03 -44.35 84.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.83 -39.35 74.06 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.322 0.582 . . . . 0.0 111.164 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.6 mt -60.17 -26.18 35.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.696 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.406 ' HD2' ' NH1' ' A' ' 174' ' ' ARG . 77.4 mtt180 -71.16 -52.16 20.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.9 m -60.99 -38.72 86.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.382 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -54.74 -54.06 46.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.232 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -72.13 -28.61 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.948 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 172.896 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.125 0.488 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.01 -27.59 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -61.77 -50.88 70.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.475 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.05 88.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.921 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.547 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -64.18 -52.44 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -60.41 -41.77 94.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.665 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.2 mt-10 -62.34 -41.4 98.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.448 . . . . 0.0 110.55 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.438 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 17.3 tp10 -70.51 -34.16 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 398' ' ' ILE . 91.5 mt -58.2 -49.4 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.5 -36.5 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.1 ttm180 -65.77 -48.32 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.446 ' HB2' HD13 ' B' ' 436' ' ' LEU . 89.1 mm-40 -68.2 -34.86 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.562 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.78 -42.06 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.974 173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -67.37 -44.63 78.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.2 mt -57.48 -51.42 69.53 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.147 0.498 . . . . 0.0 110.274 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.45 ' N ' HG11 ' B' ' 432' ' ' VAL . 30.2 tp -65.54 -36.63 84.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.417 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -65.46 -39.81 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 33.8 t -59.78 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.87 -38.34 75.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.918 175.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.03 -48.47 79.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.212 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -75.35 -44.44 45.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.051 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.97 -48.64 79.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.559 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.584 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 11.3 mp -74.55 -26.42 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.667 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.15 -23.6 62.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.18 -3.17 81.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.112 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.35 22.54 14.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 65.0 mt -126.4 115.68 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.69 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 21.2 pttp -133.08 164.18 27.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.173 0.511 . . . . 0.0 110.475 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.676 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.4 t70 -147.25 164.0 34.58 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.57 -35.65 78.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.905 0.384 . . . . 0.0 110.651 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.6 m -63.92 -34.14 77.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.151 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.5 mmtt -70.63 -50.51 36.15 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.833 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.54 -47.17 85.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.236 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 90.2 mt-10 -64.16 -48.04 77.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.626 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.745 ' O ' HG23 ' B' ' 432' ' ' VAL . 17.9 mmt180 -61.94 -36.7 82.19 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.873 -0.149 . . . . 0.0 111.028 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' B' ' 429' ' ' LEU . 7.5 mt -55.93 -46.28 78.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.606 0.241 . . . . 0.0 111.297 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.723 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 11.6 m95 -65.17 -43.46 91.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.587 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.775 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 5.0 mm-40 -57.17 -50.46 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.132 0.27 . . . . 0.0 111.269 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 428' ' ' ARG . 18.0 t -60.36 -43.44 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 CA-C-O 121.469 0.652 . . . . 0.0 110.1 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -56.86 -48.22 78.61 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.67 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.775 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 43.0 mtp180 -55.77 -42.61 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.008 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 432' ' ' VAL . 25.7 mt -65.43 -52.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.672 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' B' ' 405' ' ' GLN . 28.5 tp -57.34 -43.26 83.26 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.5 t -72.29 -39.6 68.19 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.036 -0.415 . . . . 0.0 111.348 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.4 78.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 402' ' ' ILE . 35.0 tp -67.96 -34.95 77.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.794 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.52 -41.92 86.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.497 0.665 . . . . 0.0 109.414 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -68.75 -40.85 79.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.104 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 30.3 mmmt -58.34 -32.48 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.32 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.464 ' HA ' HG21 ' B' ' 398' ' ' ILE . 59.9 tp -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.164 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' B' ' 444' ' ' ARG . 0.2 OUTLIER -81.94 -4.84 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.194 177.439 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.7 tp10 -86.03 -36.17 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.962 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 178.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.99 7.51 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 110.261 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -134.25 124.4 25.85 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.828 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -124.22 137.65 54.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.915 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 1.3 tppt? -114.52 107.17 15.17 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.587 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.12 130.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.333 0.587 . . . . 0.0 111.113 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' HZ2' ' B' ' 430' ' ' TRP . 65.2 mt -117.08 113.3 42.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 178.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.5 ttm -93.07 118.28 31.02 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -105.89 170.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.442 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.8 169.55 42.69 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 t -74.15 -25.83 59.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.021 0.41 . . . . 0.0 110.217 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.77 -63.07 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -149.05 -63.61 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.307 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t 70.55 -59.58 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.644 0.778 . . . . 0.0 111.03 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.69 32.65 0.02 OUTLIER Glycine 0 C--N 1.315 -0.604 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.435 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' HG21 ' A' ' 92' ' ' VAL . 34.5 mtmt -62.55 -47.34 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 0.0 111.398 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -63.12 -18.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.834 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.642 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.33 -51.98 21.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.928 0.394 . . . . 0.0 110.534 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.34 -36.21 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.446 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' MET . 68.4 p -72.3 -40.36 67.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.938 -177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 ' HB ' ' A' ' 40' ' ' VAL . 32.5 tp -65.03 -36.15 83.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.829 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.7 mm100 -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.101 0.476 . . . . 0.0 109.774 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -69.55 -23.97 63.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.782 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' THR . 66.8 mtp -82.33 -57.33 3.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.181 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 73.5 m-85 -112.32 -4.25 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 30.6 t70 74.16 -16.05 0.55 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.813 0.445 . . . . 0.0 112.197 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.32 156.41 16.45 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.082 -0.386 . . . . 0.0 110.388 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -78.82 135.9 37.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.096 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.962 ' HB ' HD23 ' A' ' 32' ' ' LEU . 4.2 p -73.12 127.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.098 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -100.7 -42.97 6.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.89 126.86 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.327 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -175.59 116.05 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.894 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 mm-40 -120.8 -48.23 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.894 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 9.1 Cg_endo -49.61 97.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.766 2.311 . . . . 0.0 113.414 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.602 ' HA ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -149.5 47.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.324 176.147 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' HG21 ' A' ' 78' ' ' ILE . 56.8 mtpt -79.51 -56.44 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.19 24.46 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.71 0.767 . . . . 0.0 109.218 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.6 t0 -96.15 116.69 29.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.603 -175.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -125.2 159.45 31.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.537 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.633 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 55.6 m-85 -132.69 144.55 50.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.594 0.712 . . . . 0.0 112.68 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -103.26 109.82 21.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.088 -1.414 . . . . 0.0 109.808 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -106.01 139.6 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.963 0.411 . . . . 0.0 110.934 -176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 37.6 ttmt -111.14 126.74 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.9 m -138.81 162.87 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -133.93 126.31 50.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.407 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -112.72 98.22 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.481 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 45.29 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.45 1.094 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.33 -107.87 0.47 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.858 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.3 pt-20 -119.73 157.18 29.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 86.9 mt-10 -59.88 125.86 25.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.335 0.588 . . . . 0.0 111.265 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.6 t -108.41 148.07 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.637 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -113.96 148.11 37.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 111.251 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -148.57 123.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.088 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.667 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 37.1 m-20 -95.58 131.08 42.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.05 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.56 116.73 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.91 125.31 48.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -104.7 104.46 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 p -78.43 138.43 38.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 111.54 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.44 63.41 4.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.366 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -124.96 2.68 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.602 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 76.2 -45.7 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.775 0.83 . . . . 0.0 112.133 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB2' HD13 ' A' ' 72' ' ' LEU . 1.5 m-20 -46.68 -65.93 0.48 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HB3' HD12 ' A' ' 78' ' ' ILE . 96.5 m-85 -78.78 59.56 2.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.209 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.7 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.776 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.91 -24.7 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.193 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 51.6 mt -97.79 -28.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -92.99 -65.85 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.53 -49.37 33.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.939 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 13.0 m120 -74.34 -18.3 60.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.171 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -86.86 -21.42 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 122.372 -0.205 . . . . 0.0 111.324 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.8 m-30 -58.57 -20.53 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.744 0.307 . . . . 0.0 111.625 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -56.71 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.68 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.5 m -84.59 26.34 0.81 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.0 138.85 14.11 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.18 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 65.9 mt-10 -81.22 -74.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.714 0.293 . . . . 0.0 111.246 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.507 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -102.48 151.24 18.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.816 -173.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -126.76 129.94 49.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.944 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -106.02 125.51 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 123' ' ' LEU . 59.1 mt -100.84 108.14 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.99 HG12 ' HB ' ' A' ' 126' ' ' VAL . 34.9 m -119.47 137.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.058 0.456 . . . . 0.0 110.85 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -151.91 169.61 21.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 23.0 t -110.44 144.69 38.85 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.79 -10.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.35 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.962 HG23 HD13 ' A' ' 132' ' ' LEU . 20.5 p -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 10.1 mm-40 -81.61 87.08 6.29 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.212 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.38 -24.58 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.189 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.67 -28.94 67.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.039 0.447 . . . . 0.0 110.638 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.5 m -69.11 -23.14 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.976 0.417 . . . . 0.0 110.347 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -76.94 -31.81 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -62.84 -39.4 94.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.258 0.551 . . . . 0.0 110.747 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.6 60.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.616 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 48.1 p -55.95 -42.08 75.66 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.555 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.88 68.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.71 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.62 -29.65 66.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -60.67 -38.66 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.557 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -58.93 -58.77 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.681 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.687 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 4.8 pt-20 -61.83 -33.4 74.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.201 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -63.52 -41.33 98.49 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.98 0.419 . . . . 0.0 110.386 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 107' ' ' PHE . 79.5 mt -68.18 -42.05 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.241 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -68.25 -16.48 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 86.2 mtt180 -69.36 -31.23 69.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.981 0.419 . . . . 0.0 110.446 175.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG21 ' CB ' ' A' ' 83' ' ' PHE . 18.9 m -102.95 -27.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.045 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 26.4 mtmm -143.46 104.33 4.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.495 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.36 -36.25 3.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.285 0.565 . . . . 0.0 109.539 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.97 64.5 2.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -107.53 -167.3 1.24 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.819 -171.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 18.5 m-20 -82.96 -87.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB3' ' HG3' ' A' ' 179' ' ' LYS . 2.9 mptp? -144.44 94.02 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.242 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 118' ' ' GLU . 71.7 mt -66.28 112.33 8.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 0.0 110.982 175.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.1 Cg_endo -95.29 121.09 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.812 3.008 . . . . 0.0 112.19 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -110.95 151.79 27.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.574 ' CD1' ' HG3' ' A' ' 153' ' ' GLN . 3.2 tp -150.24 121.97 8.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.556 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.8 t -92.77 118.85 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.99 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -114.57 125.45 71.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.689 -176.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.41 110.49 3.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.542 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 94' ' ' SER . 52.2 t30 -107.0 150.59 26.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' O ' HD11 ' A' ' 132' ' ' LEU . 30.9 mmtp 57.74 81.15 0.15 Allowed 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.621 0.575 . . . . 0.0 109.582 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.2 p -118.73 9.17 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.446 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.65 8.28 10.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.489 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -124.1 54.65 1.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.762 -178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.8 -31.52 71.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.344 -174.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.44 -17.48 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.705 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -95.96 2.35 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.314 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 136' ' ' ARG . 39.2 ttm180 -59.54 114.29 2.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.854 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -98.3 -18.44 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.653 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.93 109.78 60.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.301 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.67 119.96 7.42 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.06 1.84 . . . . 0.0 110.265 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.505 HG13 ' HE2' ' A' ' 154' ' ' TYR . 10.0 t -57.0 -24.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.978 0.418 . . . . 0.0 110.466 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.27 -54.81 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.405 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.16 -23.79 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.527 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.33 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.2 0.524 . . . . 0.0 110.018 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.452 ' CD ' HG12 ' A' ' 140' ' ' VAL . 53.3 mtp180 -69.01 -36.67 78.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.187 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -58.16 -45.19 87.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.523 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.1 mmtt -61.77 -41.58 97.88 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.089 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.13 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.26 -40.78 90.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.581 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.94 -36.25 80.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -87.73 -12.22 45.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.16 35.43 27.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.95 -177.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.907 0.384 . . . . 0.0 111.719 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 124' ' ' LEU . 7.0 pt20 -104.51 141.47 36.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.994 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.4 t80 -122.27 113.95 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.149 0.499 . . . . 0.0 110.1 171.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.82 142.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.441 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.7 139.68 31.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.051 0.453 . . . . 0.0 110.59 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 67.3 p -131.06 164.42 25.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.6 -177.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.1 t -145.5 134.19 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.202 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.72 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.433 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.31 -56.99 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.907 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 35.0 p -92.93 -7.83 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 55.4 74.29 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.711 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -123.57 122.48 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.613 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 47.2 m-80 66.97 16.32 10.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.894 0.746 . . . . 0.0 111.96 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.5 -56.33 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.673 0.273 . . . . 0.0 111.026 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.62 -35.5 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.356 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.42 -58.99 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.796 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.49 -26.86 31.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.6 -56.1 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.499 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.453 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.7 m-85 -66.23 -33.03 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.463 -175.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -57.26 -51.35 69.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.92 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 122' ' ' PRO . 37.3 tp -68.39 -39.53 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.046 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.35 -31.51 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.621 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.2 OUTLIER -74.0 -39.76 63.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.888 -0.142 . . . . 0.0 110.934 176.173 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.63 -31.75 72.64 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -56.21 -30.3 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.824 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.94 -51.57 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.179 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.16 -36.56 79.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.885 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB3' ' A' ' 120' ' ' LYS . 14.1 mptt -58.83 -52.93 63.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.276 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.07 -35.63 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.41 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 46.1 mtt . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 174.462 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.533 ' O ' HG12 ' B' ' 398' ' ' ILE . 37.9 m . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.599 0.238 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.56 -29.58 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -56.98 -55.45 34.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.417 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.79 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.012 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 394' ' ' THR . 47.7 mm -59.28 -51.31 74.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.591 0.234 . . . . 0.0 110.51 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' B' ' 402' ' ' ILE . 93.3 mttt -59.48 -40.8 88.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.381 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.3 mt-10 -64.37 -36.38 83.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 0.0 110.628 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 5.7 mm-40 -74.48 -37.2 63.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' B' ' 439' ' ' LEU . 99.5 mt -53.25 -53.01 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 172.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -65.66 -32.38 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -60.84 -52.97 62.82 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.8 mm-40 -65.62 -33.66 76.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.781 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.3 mt-10 -59.52 -44.53 93.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.22 -53.45 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.28 -48.66 73.71 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.665 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 21.9 tp -65.74 -47.55 74.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.433 0.635 . . . . 0.0 110.358 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.689 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 53.8 t30 -56.32 -50.06 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.334 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.1 m -59.81 -49.55 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.13 -51.0 71.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.723 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 9.4 p80 -68.4 -31.19 70.36 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.552 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.4 mtt180 -68.98 -47.09 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.681 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -52.23 66.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -178.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 429' ' ' LEU . 10.4 mp -62.24 -26.57 68.45 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.05 -19.62 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.287 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.61 86.88 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.19 1.08 51.13 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.23 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.2 mt -99.81 115.81 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -133.9 153.33 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 110.492 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.1 t70 -148.98 163.01 38.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.162 0.506 . . . . 0.0 110.475 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -63.52 -31.61 72.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.2 mmtt -69.41 -51.1 39.67 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.543 -176.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.83 -51.43 64.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.68 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.6 mmt180 -61.08 -44.74 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.127 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.553 HD11 HD22 ' B' ' 416' ' ' LEU . 16.2 mt -55.57 -53.3 58.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.544 0.528 . . . . 0.0 111.818 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.68 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -66.79 -36.88 83.44 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.416 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.447 ' O ' HG13 ' B' ' 435' ' ' ILE . 28.7 mm-40 -66.36 -55.44 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.68 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.5 p -62.66 -33.03 57.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.082 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -55.73 -55.63 29.96 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.365 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.47 -25.06 63.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.821 -177.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.5 mt -72.79 -42.61 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.82 -44.24 90.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.633 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 14.7 t -72.1 -31.46 66.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.983 0.421 . . . . 0.0 110.436 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.12 -36.88 84.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.69 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.59 -45.31 92.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.858 175.645 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -57.73 -40.89 80.7 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.321 0.581 . . . . 0.0 110.429 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.14 -46.15 88.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.919 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 32.2 mmmt -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.55 -38.98 88.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.359 . . . . 0.0 110.319 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.519 0.676 . . . . 0.0 109.477 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 1.2 tp10 -75.93 -35.6 59.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.276 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.842 -179.215 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.634 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -105.19 11.04 33.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.695 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -141.08 108.06 5.43 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -114.94 143.72 44.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.96 116.08 31.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.192 178.197 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 64' ' ' ILE . 92.8 t -121.11 123.32 69.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.897 0.38 . . . . 0.0 110.737 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.39 130.47 64.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmt -90.18 122.92 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.288 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.47 142.25 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.254 0.55 . . . . 0.0 110.923 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.8 161.23 24.74 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -66.96 107.9 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.853 0.327 . . . . 0.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 67.15 -88.02 0.15 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.137 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.6 47.99 0.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.73 60.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 112.029 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.6 34.9 5.84 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.167 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 92' ' ' VAL . 20.9 pttp -120.0 2.38 10.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.728 0.764 . . . . 0.0 112.12 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -104.69 -26.57 12.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.519 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.71 -49.77 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.713 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.74 -35.11 80.0 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.675 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 p -67.39 -44.13 79.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.199 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.1 -37.11 79.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.106 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' NE2' ' HG2' ' A' ' 162' ' ' ARG . 28.4 mt-30 -71.12 -28.91 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.274 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.63 -39.61 67.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.678 0.275 . . . . 0.0 111.356 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.725 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mpp? -90.72 -48.36 7.1 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -98.58 -24.73 14.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 64.35 63.67 0.75 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.552 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.26 149.75 17.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.845 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.96 136.74 38.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.74 118.04 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.873 0.844 . . . . 0.0 111.472 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -123.02 -37.08 2.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.015 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -134.77 85.37 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.757 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -173.97 104.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.89 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.662 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.6 mm-40 -100.83 -59.64 0.11 Allowed Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.91 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 94.1 Cg_exo -17.92 -99.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 125.262 3.975 . . . . 0.0 115.706 -166.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 1.9 p 44.13 28.36 0.26 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -86.98 -57.51 2.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.601 0.715 . . . . 0.0 109.353 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.63 8.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.294 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CG ' ' HZ1' ' B' ' 440' ' ' LYS . 15.6 t70 -96.85 104.93 16.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.809 -171.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -115.28 176.32 5.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.55 159.12 44.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 65' ' ' ASP . 31.7 mtp180 -107.1 137.96 44.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.406 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.725 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.2 tptt -128.81 134.46 48.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.733 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 23.4 ttmm -118.17 130.75 56.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 110.239 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.09 149.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.875 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.3 p -119.86 129.99 74.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.296 0.57 . . . . 0.0 110.754 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 170' ' ' PHE . 95.2 mt -118.96 99.4 6.71 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.415 175.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 75.61 -37.21 0.32 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.02 0.825 . . . . 0.0 112.473 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.87 -102.16 1.62 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.795 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 56' ' ' VAL . 21.3 pt-20 -97.49 153.57 18.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.03 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 42.1 mt-10 -67.53 109.1 3.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.545 . . . . 0.0 109.902 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 13' ' ' ALA . 89.8 t -105.97 137.49 35.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.031 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 17.3 pt20 -113.41 139.57 48.79 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.518 0.675 . . . . 0.0 111.25 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 17' ' ' VAL . 6.9 tt -123.05 121.48 63.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.796 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 13.0 m-20 -93.94 130.26 40.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.43 116.26 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.635 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.01 108.52 18.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.89 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -93.91 125.49 38.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -86.57 145.83 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.47 101.51 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.837 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -78.1 68.81 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.575 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -141.48 173.04 11.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.29 5.99 49.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.6 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.493 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -87.37 -82.58 0.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.886 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.7 68.38 6.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.216 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.82 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.807 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.76 -10.43 56.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.408 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.6 mt -98.3 -23.5 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.501 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -92.27 -66.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.071 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.1 -45.24 42.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.51 -171.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -72.92 -17.47 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.82 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -82.28 -15.17 53.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB2' HG21 ' A' ' 114' ' ' VAL . 20.7 m-85 -69.39 -16.69 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -50.9 -58.06 6.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -171.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -105.91 27.06 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.031 0.444 . . . . 0.0 111.45 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.31 123.14 7.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.549 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 30.4 mt-10 -77.47 -72.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.908 0.354 . . . . 0.0 110.237 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.48 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -95.1 138.29 13.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.803 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 121' ' ' ILE . 53.9 m-85 -121.88 126.46 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -104.48 111.98 24.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.651 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 104' ' ' THR . 11.2 mp -88.4 107.83 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.731 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.897 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.1 m -106.58 139.65 27.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -154.68 158.31 39.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.564 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.829 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -96.43 147.98 23.26 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.494 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.12 10.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.855 -176.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 132' ' ' LEU . 15.9 p -114.54 -17.25 11.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.015 0.436 . . . . 0.0 110.984 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.829 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 31.9 mm-40 -95.09 104.46 16.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.715 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -71.64 -35.48 70.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.38 -48.15 81.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.954 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 m -60.93 -35.51 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.67 -42.57 98.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.4 m -73.26 -32.87 64.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.406 . . . . 0.0 110.82 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.05 66.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.032 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.442 ' HB ' HD23 ' A' ' 91' ' ' LEU . 69.1 p -55.97 -38.95 71.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.018 0.437 . . . . 0.0 110.474 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.48 87.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.243 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -56.52 -46.31 80.63 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.2 m-85 -57.8 -51.8 68.1 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.428 ' O ' HD13 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -59.83 -43.77 94.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.098 -178.472 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.49 -43.29 90.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.893 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -69.76 -31.71 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 0.0 110.764 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.7 mt -59.62 -46.35 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 172.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.718 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -75.41 -3.16 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.871 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 113' ' ' ARG . 9.0 tpp180 -79.25 -36.46 39.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.439 . . . . 0.0 109.825 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB2' ' A' ' 83' ' ' PHE . 31.0 m -99.07 -34.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 54.9 mtpt -124.29 93.48 3.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.854 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 9.56 23.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 119' ' ' ASP . 72.2 mm-40 -115.49 92.76 4.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 121' ' ' ILE . 52.6 mt-10 -67.1 14.21 0.05 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.129 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 117' ' ' GLU . 8.9 t70 -60.66 -36.16 78.01 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.232 0.613 . . . . 0.0 111.192 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.971 ' HE3' ' HA ' ' A' ' 180' ' ' LYS . 46.9 mmtm -124.08 39.38 3.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.512 HG22 HD11 ' A' ' 123' ' ' LEU . 51.4 mt -128.98 87.84 53.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.278 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 9.9 Cg_endo -91.3 127.3 1.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.345 2.697 . . . . 0.0 111.327 171.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 152' ' ' VAL . 5.1 mp -115.16 135.96 53.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 110.855 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.833 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.7 tp -128.05 117.6 21.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.172 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 117.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.596 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.693 ' HB ' HG12 ' A' ' 92' ' ' VAL . 47.0 t -105.97 109.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.706 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -86.3 97.22 2.2 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.14 175.74 5.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 131' ' ' ASP . 22.0 tptm 62.46 25.76 15.35 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.725 0.64 . . . . 0.0 109.932 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -72.44 29.42 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.941 0.877 . . . . 0.0 110.964 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.3 t70 -91.24 -11.13 39.1 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 96' ' ' THR . 26.2 mt -96.22 41.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.201 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.31 -21.28 61.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.622 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.783 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 4.4 pt-20 -90.58 -16.13 29.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.653 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.783 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 85.9 mtt180 -121.89 13.88 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 -173.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.15 114.07 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.906 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -93.4 -28.92 15.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.615 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.429 HG12 ' C ' ' A' ' 95' ' ' ILE . 10.6 p -111.5 122.22 38.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.107 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.598 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 40.6 Cg_exo -58.64 124.87 16.74 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.068 2.512 . . . . 0.0 112.599 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.83 -25.03 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.59 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -64.69 -42.45 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.598 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.3 pt-20 -81.52 -18.03 46.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.568 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.51 68.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.6 mtp180 -62.02 -42.16 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.155 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -57.19 -33.5 67.55 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.219 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.05 -46.01 83.02 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.672 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.89 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.593 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.26 -41.43 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.135 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -68.16 -42.1 80.55 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.56 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -78.02 -22.08 49.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.196 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.19 35.55 14.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.42 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 123' ' ' LEU . 27.1 m -123.32 -179.12 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.833 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.2 pm0 -108.07 149.31 28.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.161 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -118.07 121.02 39.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.835 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -125.72 130.3 72.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.9 140.18 30.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.009 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.4 p -126.91 149.71 49.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.146 0.498 . . . . 0.0 110.646 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -133.56 107.78 8.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.959 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -78.53 -6.2 54.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.528 178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -65.52 -43.91 88.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 110.325 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -121.01 9.44 10.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.334 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.467 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 68.9 mtm180 57.51 59.25 3.37 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 121.414 0.626 . . . . 0.0 111.2 -177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -109.33 125.4 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.404 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 65.52 17.79 11.05 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.662 0.785 . . . . 0.0 112.041 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 62.1 t -67.08 -51.43 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.577 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.9 -38.16 82.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.66 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.309 -172.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.3 m -57.65 -34.6 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.38 -46.47 32.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 57' ' ' LEU . 42.2 m-85 -67.0 -46.25 75.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.505 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.25 -41.13 92.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.7 tp -62.59 -43.85 97.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.381 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.6 -30.69 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.527 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -63.25 -48.8 76.67 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.814 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.71 -36.34 76.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.291 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.7 mt -58.84 -39.24 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -62.52 -51.72 66.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.899 0.38 . . . . 0.0 110.007 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -59.53 -43.04 93.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.223 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.0 -37.38 85.78 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.971 ' HA ' ' HE3' ' A' ' 120' ' ' LYS . 46.6 mtpt -74.41 -44.61 51.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 120.594 0.235 . . . . 0.0 110.997 -177.522 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.571 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.6 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.191 0.52 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.79 -28.16 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.433 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -58.95 -51.97 67.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.364 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.27 94.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.833 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.571 HG12 ' O ' ' B' ' 394' ' ' THR . 50.6 mm -57.77 -49.88 79.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.692 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.7 mttt -59.15 -40.19 84.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.2 mt-10 -62.28 -44.04 97.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.604 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 33.8 mt-10 -69.92 -36.18 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.443 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.584 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.4 mt -54.48 -52.91 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 173.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.518 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 22.4 mmm180 -61.45 -35.1 76.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.65 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -62.53 -44.2 96.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.5 mm-40 -74.35 -32.77 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -177.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 47.0 mt-10 -59.3 -44.13 92.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.135 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.66 -49.45 75.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.097 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' B' ' 432' ' ' VAL . 89.0 mt -57.37 -47.61 81.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.042 0.449 . . . . 0.0 110.76 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.86 -48.29 77.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.998 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.1 t30 -60.27 -35.27 75.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.177 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 411' ' ' SER . . . . . 0.464 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 8.7 t -62.88 -55.22 28.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.451 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -56.92 -35.37 68.96 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.045 0.45 . . . . 0.0 110.598 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.659 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 22.0 m170 -61.26 -33.15 73.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.148 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.1 mtm180 -78.05 -52.85 8.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 0.0 111.087 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.46 -51.6 69.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.033 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.2 mp -69.36 -26.58 64.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 111.312 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.3 tt0 -63.41 -23.45 67.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.823 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.53 -5.63 78.61 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.385 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.15 -1.73 31.35 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.152 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.4 mt -105.65 115.84 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.707 -0.29 . . . . 0.0 110.586 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 155.83 47.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.084 0.468 . . . . 0.0 110.538 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.5 t70 -148.31 168.23 23.1 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.76 -39.64 92.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 20.2 m -62.91 -32.65 73.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.708 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' B' ' 416' ' ' LEU . 30.9 mmtt -73.0 -52.43 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.84 -45.19 90.62 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -72.79 -34.21 66.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 424' ' ' SER . 17.6 tpt180 -66.45 -35.01 79.23 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.483 HD11 HD22 ' B' ' 416' ' ' LEU . 9.4 mt -56.14 -53.94 51.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.776 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 65.3 m95 -64.71 -30.9 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.627 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 43.8 mt-10 -64.47 -56.63 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.171 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.641 HG21 ' HB2' ' B' ' 408' ' ' LEU . 4.0 p -63.61 -33.82 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.285 0.564 . . . . 0.0 110.407 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -55.42 -53.74 52.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.486 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.627 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 0.6 OUTLIER -67.57 -26.69 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.714 -177.658 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.2 mt -72.65 -41.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.473 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' B' ' 405' ' ' GLN . 51.0 tp -59.23 -45.64 90.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -73.26 -25.36 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.884 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.54 79.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.584 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.75 -40.23 87.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.549 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.514 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 92.8 mttt -56.74 -44.14 81.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.173 0.511 . . . . 0.0 110.405 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' B' ' 445' ' ' GLU . 1.0 OUTLIER -63.6 -44.92 92.6 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.772 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.526 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.5 mmmm -61.06 -36.27 79.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.788 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.448 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.5 tp -63.25 -47.35 82.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.673 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -81.97 -5.69 58.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 441' ' ' ARG . 37.2 tt0 -84.48 -37.54 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.299 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.671 -178.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 ' HG2' ' A' ' 177' ' ' ARG . 1.1 pt? . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.235 0.54 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.4 4.0 50.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.769 0.795 . . . . 0.0 109.783 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.31 136.16 49.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.851 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' HB3' HD12 ' A' ' 176' ' ' ILE . 86.9 m-70 -135.35 144.97 46.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -138.86 107.46 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.19 128.21 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.246 -173.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG21 ' HE1' ' A' ' 83' ' ' PHE . 53.5 mt -110.1 120.34 60.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.565 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 53.4 ttm -102.23 121.28 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -99.83 169.93 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.76 -178.97 46.36 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -93.89 13.83 21.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.184 0.516 . . . . 0.0 110.974 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.92 -63.63 0.31 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.485 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.16 -114.5 1.37 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.5 t 69.86 -49.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 123.383 0.673 . . . . 0.0 111.07 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.23 35.5 1.1 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.7 pttp -81.85 -1.17 46.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.887 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -92.04 -8.95 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.154 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.8 -55.86 6.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' HG ' HG13 ' A' ' 165' ' ' VAL . 7.5 mp -60.29 -35.61 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.822 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -66.71 -47.13 73.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.312 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HB3' HG22 ' A' ' 40' ' ' VAL . 9.8 tt -65.47 -41.03 93.8 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 50.1 mt-30 -62.4 -33.24 74.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -73.43 -40.92 63.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtp -72.66 -50.03 27.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 1.22 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.655 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 63.12 19.75 11.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 14.3 pt-20 -135.78 172.93 12.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 110.461 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -76.38 150.46 36.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 109.958 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 32' ' ' LEU . 56.9 t -73.01 107.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.719 -175.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -74.54 -50.57 17.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.391 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -160.27 145.77 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.7 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -173.16 110.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.12 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.3 mt-10 -102.04 -63.43 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 24.3 Cg_exo -61.42 113.47 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.286 1.991 . . . . 0.0 113.228 -170.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -158.04 47.61 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.594 175.277 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' A' ' 72' ' ' LEU . 13.7 mmmm -87.21 -56.94 3.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.362 0.601 . . . . 0.0 109.666 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.22 18.05 8.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.374 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.0 m-20 -84.72 88.97 7.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.233 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -96.1 142.09 28.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.57 169.81 16.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.115 0.483 . . . . 0.0 111.868 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -118.04 150.36 39.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.27 -170.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -135.92 129.79 32.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.621 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -101.79 116.8 33.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.227 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 153.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -124.77 116.54 47.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.396 0.617 . . . . 0.0 110.244 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 97.7 mt -99.41 100.8 11.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.282 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 25.2 t70 76.17 -40.83 0.4 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.777 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.7 -34.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.172 -1.014 . . . . 0.0 113.727 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.59 127.97 34.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 117.397 0.599 . . . . 0.0 110.609 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.28 111.79 12.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.51 141.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.569 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.45 127.05 55.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.559 -172.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -126.78 136.72 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.839 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.44 134.51 49.46 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.244 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.16 114.79 47.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.567 0.223 . . . . 0.0 111.339 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 18' ' ' ILE . 53.8 tp -103.75 103.95 13.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.605 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -92.39 95.01 9.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 p -71.04 145.46 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.201 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 113.69 12.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.78 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.53 78.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.021 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -155.44 171.17 20.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.611 0.243 . . . . 0.0 110.657 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -93.26 -3.8 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.343 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 11.1 m-20 -71.46 -78.47 0.08 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.317 0.58 . . . . 0.0 110.432 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.33 71.51 5.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.262 -175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -22.99 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.088 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.19 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.808 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 56.8 mt -80.8 -18.42 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.65 0.738 . . . . 0.0 109.848 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -91.84 -63.89 1.19 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.763 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.57 -58.06 3.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.08 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 20.8 m120 -66.02 -17.37 64.64 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.808 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.88 -13.41 36.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.519 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.504 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.2 m-30 -88.31 87.76 7.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.47 ' NH2' HD12 ' B' ' 423' ' ' LEU . 35.2 ttp85 -170.39 -49.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.365 166.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 t -66.06 -16.78 64.22 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.19 137.5 14.12 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.637 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -98.42 -42.88 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.166 0.483 . . . . 0.0 112.056 -176.042 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.81 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -82.22 132.37 11.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.702 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CE2' ' HE2' ' A' ' 115' ' ' LYS . 97.2 m-85 -124.65 142.88 51.06 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.052 0.453 . . . . 0.0 111.132 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.29 111.03 20.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.084 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.32 106.79 18.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.838 HG12 ' HB ' ' A' ' 126' ' ' VAL . 28.7 m -105.45 137.39 35.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.002 0.43 . . . . 0.0 110.629 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -142.84 151.76 41.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.53 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -105.93 132.86 51.52 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 4.31 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.1 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.797 HG23 HD13 ' A' ' 132' ' ' LEU . 24.1 p -94.97 -20.92 18.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.812 0.339 . . . . 0.0 110.732 173.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -108.52 103.13 12.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.92 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -72.3 -21.19 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.065 0.459 . . . . 0.0 109.842 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.31 -54.89 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.965 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 p -67.36 -30.75 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 m -78.7 -29.28 45.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.183 0.516 . . . . 0.0 110.719 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.9 64.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.982 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 41.0 p -56.94 -41.34 78.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.39 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.511 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.19 -41.15 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.325 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -59.2 -47.99 83.27 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.142 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -54.12 -55.02 31.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.908 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.43 -28.79 69.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.867 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.43 -33.92 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 95.2 mt -65.87 -47.53 85.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.801 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.97 -7.71 48.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.49 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -78.86 -47.39 16.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.158 0.504 . . . . 0.0 110.535 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.3 m -100.37 -8.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.707 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.3 mtpp -133.14 106.18 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.403 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.34 11.95 0.72 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.837 0.351 . . . . 0.0 111.229 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -106.5 -9.43 16.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 4.6 pt-20 -98.62 -174.25 2.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.27 -66.43 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.786 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -153.11 135.48 15.02 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.518 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.3 mt -99.69 107.07 44.06 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.902 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.81 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 79.0 Cg_endo -86.19 128.62 3.16 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 123.052 2.501 . . . . 0.0 112.642 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.701 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 6.5 mp -118.72 122.85 43.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.2 tp -119.82 114.6 22.36 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.9 t -85.58 127.82 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.838 ' HB ' HG12 ' A' ' 92' ' ' VAL . 44.2 t -115.52 118.05 57.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.02 108.62 2.61 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.2 t30 -106.43 156.66 18.3 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 33.8 mmtp 67.62 28.34 7.45 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.657 0.598 . . . . 0.0 110.749 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.6 m -74.06 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.455 0.645 . . . . 0.0 110.29 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.99 20.55 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.797 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -141.41 46.17 1.72 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.389 179.064 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.47 -21.9 64.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.856 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.35 -23.73 67.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.325 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -105.54 7.0 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -58.9 115.34 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.55 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -91.92 -30.94 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.654 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.48 122.0 29.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.925 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.85 122.28 10.05 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.248 1.965 . . . . 0.0 111.064 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -67.86 -8.88 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.275 -175.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.28 -46.48 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.99 -16.94 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.59 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.39 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 52.9 mtm-85 -58.4 -37.52 75.47 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 0.0 110.508 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 t -57.2 -47.06 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.009 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 68.2 mmtt -62.88 -34.42 77.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.535 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -59.0 -47.48 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.19 0.519 . . . . 0.0 110.064 175.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.69 -35.7 79.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.656 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.28 -30.34 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.441 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -91.21 -6.83 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.677 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.52 26.78 62.56 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.174 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 12.0 m -115.01 -174.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -114.12 149.06 36.17 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.272 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.1 t80 -120.22 122.97 42.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.06 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.495 HG23 HD11 ' A' ' 124' ' ' LEU . 60.7 t -121.09 128.57 76.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.628 177.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.3 131.94 39.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.284 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.0 p -132.25 133.79 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 112.061 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 18.1 m -106.0 88.56 2.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.32 68.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.875 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.11 -36.86 71.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.739 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 p -111.61 8.53 20.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.197 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.503 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 86.4 mtm180 61.8 20.53 11.5 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.485 -177.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.28 116.79 17.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 70.44 7.4 6.2 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.989 0.806 . . . . 0.0 112.181 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.438 HG13 ' HG ' ' A' ' 30' ' ' LEU . 79.0 t -66.05 -38.43 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 111.669 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.79 -24.7 58.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.57 -47.69 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.075 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.14 -30.75 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.7 -48.11 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.2 m-85 -69.88 -38.17 76.28 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -51.95 67.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.673 0.273 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.1 tp -66.5 -31.99 73.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.14 -34.18 77.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 13.0 mmt180 -72.04 -37.63 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.531 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.48 -29.44 67.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.333 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 34.8 mt -66.09 -27.2 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.565 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.518 ' HG2' HD12 ' A' ' 12' ' ' LEU . 74.5 mtt180 -62.43 -32.65 73.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.891 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.0 m -63.97 -30.34 71.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.62 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 9.6 mptt -68.9 -54.49 15.21 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -71.95 -21.91 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.657 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.801 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.572 ' O ' HG12 ' B' ' 398' ' ' ILE . 31.5 m . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.78 -33.38 71.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.796 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.8 62.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.9 -38.63 95.76 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.851 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 394' ' ' THR . 46.8 mm -57.66 -48.09 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.565 0.221 . . . . 0.0 110.882 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.4 mttm -57.56 -44.32 85.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.441 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.74 -39.3 87.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.0 mt-10 -62.12 -45.61 92.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.631 0.253 . . . . 0.0 110.516 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.61 HG12 ' HB3' ' B' ' 439' ' ' LEU . 71.7 mt -55.35 -52.82 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.105 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.3 mtp180 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 20.0 ttm180 -57.5 -49.84 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.261 176.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.478 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.9 mm-40 -73.11 -33.62 65.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.684 -176.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 77.2 mt-10 -60.37 -42.45 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.53 -47.05 77.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.795 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.9 mt -62.4 -51.84 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.595 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.401 HD13 HG13 ' B' ' 432' ' ' VAL . 59.8 tp -63.94 -34.44 77.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.119 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.634 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 46.4 t30 -59.38 -50.42 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 175.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 11.6 t -59.24 -51.05 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.003 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -52.24 -53.39 44.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 7.7 p80 -68.63 -28.95 67.36 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.195 -176.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -77.78 -52.93 8.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.93 -45.14 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.975 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.8 mp -63.7 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.276 0.56 . . . . 0.0 110.927 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -68.26 -28.71 67.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.276 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -15.21 75.58 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.701 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.78 -8.52 7.26 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.969 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.1 mt -83.75 115.77 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -139.16 140.6 37.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.722 0.773 . . . . 0.0 111.435 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.719 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.5 t70 -150.81 166.92 29.04 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.47 HD12 ' NH2' ' A' ' 84' ' ' ARG . 2.7 mm? -65.5 -34.55 78.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.029 0.443 . . . . 0.0 110.233 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.664 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.719 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.2 mmtt -69.11 -43.16 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' A' ' 84' ' ' ARG . 37.6 mt-10 -60.45 -46.19 90.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.551 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.05 -42.9 99.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.132 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.9 mmt180 -63.64 -41.84 98.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.676 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.7 mt -55.8 -56.18 23.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 123.325 0.391 . . . . 0.0 110.938 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.73 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 22.3 m95 -64.84 -41.43 95.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.52 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.458 ' O ' HG13 ' B' ' 435' ' ' ILE . 11.5 tp10 -57.67 -56.21 24.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.693 0.283 . . . . 0.0 110.887 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' B' ' 435' ' ' ILE . 12.1 p -62.66 -33.41 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.525 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.1 tp60 -54.57 -52.71 61.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.59 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.73 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.14 -35.21 77.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.501 -178.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 432' ' ' VAL . 36.0 mt -64.98 -43.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.205 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.36 -49.54 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.245 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.406 HG22 ' HA ' ' B' ' 434' ' ' ARG . 13.3 t -71.65 -33.95 69.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -68.86 -35.04 76.45 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.104 176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 1.002 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -63.96 -42.74 97.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.21 -29.73 70.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.42 . . . . 0.0 110.06 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.455 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 3.0 tmt_? -67.94 -41.2 82.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 1.002 ' HD3' HD13 ' B' ' 439' ' ' LEU . 53.2 mtpt -57.16 -37.5 72.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.413 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.3 tp -66.02 -36.77 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.75 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -82.26 -5.28 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.63 -54.64 3.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.418 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.872 -177.256 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 177' ' ' ARG . 64.7 mt . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.977 0.418 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 12.1 33.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 110.796 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.8 tp -125.29 128.07 47.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.222 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -131.46 148.66 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.068 0.461 . . . . 0.0 111.467 -174.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.9 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.7 tpmt? -124.37 114.82 20.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t -120.87 120.26 61.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.84 122.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.451 . . . . 0.0 110.733 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.725 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -84.84 117.37 23.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.682 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' VAL . 35.2 m -127.04 170.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.362 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.33 -161.44 28.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.443 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -75.15 92.65 2.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.992 0.425 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 60.46 -102.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.93 52.79 0.44 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG11 ' OE2' ' A' ' 97' ' ' GLU . 28.6 m -54.0 -35.92 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.78 -19.43 0.02 OUTLIER Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.36 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -61.86 -18.63 60.81 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.26 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.6 t -72.28 -37.81 68.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.7 66.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.249 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.35 -42.19 81.51 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.107 -176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.51 HG22 ' HZ ' ' A' ' 169' ' ' PHE . 45.4 p -71.29 -39.05 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 28' ' ' SER . 82.9 mt -55.67 -40.41 72.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.439 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 52.6 mt-30 -65.93 -32.72 74.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -73.07 -47.48 44.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -81.16 -34.87 32.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.47 -9.75 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.116 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 67.8 7.77 5.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.061 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 11.2 pt-20 -144.55 170.26 16.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.758 0.314 . . . . 0.0 110.72 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 50.9 t80 -79.07 150.72 31.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.816 -174.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.52 136.69 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.472 . . . . 0.0 111.297 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.65 -39.03 2.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.002 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -134.44 100.49 4.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -171.42 94.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.068 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 mt-10 -84.13 -56.68 0.42 Allowed Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 28.6 Cg_endo -61.38 124.13 14.14 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.45 2.1 . . . . 0.0 112.775 -176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.72 37.39 0.41 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.43 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -85.83 -53.18 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.271 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -124.01 27.05 7.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.632 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -102.52 88.66 3.31 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.351 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -96.24 150.65 20.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -133.04 117.1 17.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.978 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 56.1 ttp180 -78.97 106.91 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -97.35 134.28 40.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -95.36 119.13 33.33 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.833 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.25 145.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.787 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.9 p -115.99 120.55 65.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.545 0.688 . . . . 0.0 110.04 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' CZ ' ' A' ' 174' ' ' ARG . 0.4 OUTLIER -120.12 97.33 5.55 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.023 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 59.12 37.84 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.725 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.69 -123.27 0.73 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.787 -1.197 . . . . 0.0 113.955 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.5 pt-20 -107.06 168.02 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.94 118.7 8.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.18 0.514 . . . . 0.0 110.72 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 60' ' ' GLU . 57.7 t -106.71 147.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.341 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -113.16 118.32 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 110.387 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 tt -120.37 121.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.946 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 24.1 t0 -102.37 119.64 39.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.003 -176.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.53 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 45.7 mm -108.61 124.66 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.068 -173.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.548 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 31.1 tp -107.81 128.57 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.015 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -99.47 101.98 13.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.2 p -78.95 138.63 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.58 108.57 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.245 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -77.3 77.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.352 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.51 174.53 13.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -97.39 0.04 47.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' HD13 ' A' ' 72' ' ' LEU . 19.3 m-20 -79.43 -72.66 0.38 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.427 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.5 m-85 -78.98 76.81 5.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.102 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -23.63 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.16 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.08 -15.2 62.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.751 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.643 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.8 mt -96.75 -31.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 110.717 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -91.89 -61.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.76 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -54.14 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.656 -172.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 93.5 m-20 -76.5 -30.64 57.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.643 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -74.66 -24.48 58.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.412 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.8 m-30 -64.9 -14.97 61.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG3' ' CD ' ' B' ' 426' ' ' GLU . 2.9 mmt85 -54.53 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.502 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 6.0 m -80.07 15.98 1.35 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.74 0.305 . . . . 0.0 111.457 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.9 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -86.78 135.47 13.27 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.421 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 80.1 mt-10 -97.61 -72.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.893 0.378 . . . . 0.0 110.485 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -100.21 143.0 16.15 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.361 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.12 129.33 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -103.59 113.44 26.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.563 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 123' ' ' LEU . 80.6 mt -88.5 107.4 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.839 HG21 ' HB3' ' A' ' 27' ' ' LYS . 28.5 m -106.44 147.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.27 0.557 . . . . 0.0 112.239 -174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -156.65 148.57 22.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.598 ' HB2' ' HB3' ' A' ' 129' ' ' LYS . 98.2 p -84.76 153.17 23.19 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.901 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.6 10.25 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.148 0.499 . . . . 0.0 112.219 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.0 p -119.64 7.56 11.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.212 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' OE2' HG11 ' A' ' 25' ' ' VAL . 42.5 mt-10 -118.81 97.98 5.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -80.05 -27.58 39.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.67 -56.44 15.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.139 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 13.8 m -62.28 -28.28 69.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.37 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.1 t80 -62.45 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -75.53 -28.08 58.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.211 0.529 . . . . 0.0 110.488 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.78 -14.57 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.053 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 33.8 p -55.56 -38.38 69.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.604 0.24 . . . . 0.0 111.621 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.19 87.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.77 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.66 -46.51 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.953 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-85 -61.25 -48.05 83.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.762 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.81 -54.94 27.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.514 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.28 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.805 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -71.62 -30.35 65.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.5 mt -64.79 -42.34 94.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.975 0.416 . . . . 0.0 110.51 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.04 -26.7 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.21 -40.83 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.755 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.732 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.6 m -96.44 -0.71 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.732 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -129.74 -73.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.669 0.271 . . . . 0.0 111.061 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' OE2' ' A' ' 117' ' ' GLU . . . 60.86 -88.3 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.831 0.853 . . . . 0.0 113.145 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' A' ' 116' ' ' ALA . 1.7 pm0 -79.7 62.73 4.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.58 0.705 . . . . 0.0 112.068 -174.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.42 ' HG3' ' HE3' ' A' ' 115' ' ' LYS . 11.4 mm-40 -95.78 -163.07 1.01 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.501 174.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.04 -84.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.963 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 30.6 mmmt -149.05 113.85 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.09 108.31 12.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.931 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 49.6 Cg_endo -91.19 117.02 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.012 2.475 . . . . 0.0 112.512 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 91' ' ' LEU . 6.2 mp -102.8 151.82 21.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.056 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.821 HD13 ' HG3' ' A' ' 153' ' ' GLN . 2.6 tp -145.04 117.52 8.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.478 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.9 t -84.44 118.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.723 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.6 t -110.22 110.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.745 -175.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.45 104.43 2.72 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 94' ' ' SER . 3.1 p-10 -102.74 177.79 4.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.74 0.305 . . . . 0.0 111.201 -174.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 19.2 tptm 65.63 25.26 11.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.79 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -70.24 0.9 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.92 -15.41 63.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.539 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 135' ' ' ARG . 71.0 mt -77.4 -53.04 8.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 44.8 tt0 65.01 -76.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.362 0.665 . . . . 0.0 112.18 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . 24.3 ttm180 -94.9 8.92 41.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 120.929 0.395 . . . . 0.0 110.3 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 133' ' ' GLU . 39.1 ttp180 -53.28 118.89 4.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.021 -175.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 33.5 tt0 -94.28 -35.48 12.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.46 118.07 37.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.45 133.04 35.59 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.213 1.942 . . . . 0.0 111.893 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.529 HG12 ' HG3' ' A' ' 144' ' ' ARG . 19.2 t -57.08 -20.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.223 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.06 -52.86 61.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.34 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.92 -24.75 55.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.815 0.34 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -69.39 -47.27 64.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 140' ' ' VAL . 69.3 mtp180 -63.05 -35.44 80.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.508 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -63.91 -40.67 97.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.89 -46.55 74.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.15 -42.37 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.46 -41.11 98.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.86 -33.72 76.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -81.51 -8.19 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.338 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.46 23.29 56.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.285 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 147' ' ' ALA . 35.5 m -120.43 -179.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.589 0.233 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.821 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -106.83 156.33 18.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.22 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.474 ' CE2' HG13 ' A' ' 140' ' ' VAL . 83.3 t80 -121.54 124.09 43.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.955 175.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.38 135.6 61.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.072 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.99 149.3 25.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.317 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 7.1 p -136.38 134.49 37.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.378 0.609 . . . . 0.0 111.622 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.2 m -112.93 129.2 56.56 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.11 -35.09 9.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.667 0.27 . . . . 0.0 111.438 -172.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.09 -26.47 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.298 0.57 . . . . 0.0 110.144 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.5 p -109.11 -13.45 14.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.293 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? 60.74 83.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.777 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.79 25.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.581 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 70.68 3.24 4.47 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.004 0.815 . . . . 0.0 112.088 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.06 -40.69 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.312 0.577 . . . . 0.0 109.904 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 -44.17 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.331 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -56.43 -52.7 63.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.772 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -55.89 -30.83 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.51 ' HZ ' HG22 ' A' ' 31' ' ' THR . 61.1 m-85 -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.545 176.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 51.8 m-85 -59.95 -39.6 86.12 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.055 0.222 . . . . 0.0 111.559 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -56.89 -51.51 68.82 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.72 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -65.07 -40.32 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.231 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.4 mtp -59.87 -31.55 69.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.221 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 29.6 mmt180 -72.64 -45.07 60.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.81 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 9.0 mm-40 -57.98 -37.76 74.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 175.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.8 mt -55.81 -43.65 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.991 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.683 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 36.2 ptt180 -66.49 -36.73 83.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.41 -41.94 79.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.963 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 64.9 mmtt -61.63 -41.75 97.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.981 0.419 . . . . 0.0 110.731 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.15 -29.01 68.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.844 177.77 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.577 HG23 ' HB1' ' B' ' 446' ' ' ALA . 8.8 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -58.99 -28.83 66.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.776 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.01 -55.23 35.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.53 -37.92 78.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.546 ' O ' HG13 ' B' ' 402' ' ' ILE . 22.2 mm -54.54 -51.37 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.3 mttt -65.51 -32.85 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.536 -177.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.13 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 110.91 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 23.8 mt-10 -78.18 -34.97 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.685 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.697 HG12 ' HB3' ' B' ' 439' ' ' LEU . 69.6 mt -57.28 -54.17 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.256 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -64.29 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.2 ttm180 -58.47 -48.22 81.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.788 173.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' B' ' 432' ' ' VAL . 69.9 mm-40 -75.27 -30.32 60.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.631 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 45.2 mt-10 -59.55 -45.28 92.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.31 -48.29 65.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.2 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 80.7 mt -60.03 -51.99 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.969 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.717 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -64.13 -34.78 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.651 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 61.2 t30 -64.07 -45.62 87.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.344 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.8 t -59.13 -51.95 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.411 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.8 mm? -52.86 -34.7 55.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.919 0.39 . . . . 0.0 111.016 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -72.81 -39.68 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 18.9 mtm180 -76.72 -54.08 7.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.438 0.637 . . . . 0.0 110.785 -176.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.95 -40.25 87.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.987 -168.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -72.45 -23.91 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.42 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 3.8 mt-30 -54.23 -30.44 50.09 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.851 0.46 . . . . 0.0 111.778 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.15 2.42 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.157 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.02 37.42 83.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.438 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.8 mt -119.06 133.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.413 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -157.6 145.03 18.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.612 . . . . 0.0 110.676 172.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.648 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.79 158.91 44.49 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 176.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.045 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.19 -36.72 85.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 0.0 110.297 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 34.2 mmtt -72.51 -46.25 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.035 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 62.7 mt-10 -59.82 -47.49 85.48 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.086 -175.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.35 -48.3 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.703 ' O ' HG12 ' B' ' 432' ' ' VAL . 25.9 mmt180 -60.76 -39.89 90.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.086 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -54.82 -54.56 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.576 0.547 . . . . 0.0 110.914 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.548 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 52.0 m95 -70.93 -31.83 68.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.603 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 37.9 tt0 -65.01 -56.44 13.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.446 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.717 HG13 HD23 ' B' ' 409' ' ' LEU . 5.6 p -62.76 -33.91 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.241 0.543 . . . . 0.0 110.233 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -55.49 -53.3 58.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.035 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -71.0 -26.84 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.109 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.5 mt -70.38 -45.21 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' B' ' 405' ' ' GLN . 18.1 tp -60.35 -43.59 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 111.379 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.0 t -68.99 -33.29 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.591 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.39 -40.18 85.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -59.14 -43.13 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.262 178.177 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.54 -41.31 89.79 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.337 0.589 . . . . 0.0 110.164 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -66.03 -44.03 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.602 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -61.04 -32.72 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.894 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.2 tp -63.28 -48.04 79.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -79.39 -7.29 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.01 0.433 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.7 -26.6 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.988 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.577 ' HB1' HG23 ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.219 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.606 HD23 ' HD3' ' A' ' 180' ' ' LYS . 91.7 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.1 6.33 42.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.043 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 tp -134.92 133.76 39.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.281 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -135.98 131.32 34.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.0 tpmt? -101.81 107.44 18.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.085 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -122.51 129.66 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.273 0.559 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.14 127.14 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 49.7 ttm -97.16 127.17 42.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 91' ' ' LEU . 25.5 m -93.55 176.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.836 0.351 . . . . 0.0 111.23 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.488 ' HA3' ' HD2' ' A' ' 27' ' ' LYS . . . 143.21 -179.25 20.87 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 1.056 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 21.6 m -133.83 -65.02 0.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.876 0.338 . . . . 0.0 110.856 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.05 -97.02 1.13 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.621 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.78 -85.52 1.85 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.406 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t 71.33 -52.58 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.508 0.723 . . . . 0.0 111.637 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.1 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -76.73 4.89 8.6 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -121.95 -33.63 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.939 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.22 70.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.384 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 165' ' ' VAL . 87.2 mt -65.31 -41.9 93.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.326 0.584 . . . . 0.0 110.859 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.571 HG23 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -62.75 -38.38 90.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.364 -173.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -68.64 -30.96 69.78 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.005 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.58 -40.84 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 110.1 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -70.2 -27.81 64.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.298 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtm -97.86 -53.12 3.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.898 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.23 -21.47 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 66.9 29.61 8.16 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.942 0.877 . . . . 0.0 109.283 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -127.06 148.34 50.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.879 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -81.6 149.47 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 43' ' ' TYR . 24.0 t -75.17 100.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 111.338 -175.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -98.18 -38.2 9.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -151.71 86.92 1.34 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HB3' HG13 ' A' ' 40' ' ' VAL . 82.7 t80 -160.93 105.95 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.639 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -95.75 -64.3 0.11 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.393 176.39 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 22.7 Cg_exo -24.5 84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.607 0 C-N-CA 125.113 3.875 . . . . 0.0 115.269 -167.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.565 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 11.7 p -148.42 22.81 1.04 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.262 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -85.44 -58.48 2.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.246 0.546 . . . . 0.0 110.501 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -126.4 -20.5 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.973 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -97.59 162.73 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.1 t -135.99 169.46 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.994 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 11.9 t80 -136.19 123.24 21.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -75.36 132.7 41.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -117.4 130.2 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.322 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -100.55 130.27 46.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.01 146.98 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 0.0 110.459 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 60' ' ' GLU . 8.5 p -124.64 135.97 62.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -134.51 97.96 3.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.824 0.345 . . . . 0.0 110.266 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 52.09 34.87 15.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.444 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.45 -122.82 0.66 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.992 -1.099 . . . . 0.0 113.869 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.0 pt-20 -102.37 156.15 17.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -173.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 117.13 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.235 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.7 t -107.44 144.45 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.527 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -113.6 125.27 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.371 0.605 . . . . 0.0 109.92 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -122.02 149.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.633 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -124.37 117.1 23.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.319 -176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 31' ' ' THR . 4.4 mm -108.07 112.91 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.584 0.231 . . . . 0.0 110.775 -174.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.574 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 25.5 tp -95.7 128.05 42.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.446 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.565 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 32.5 t0 -92.2 -174.91 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -149.44 139.11 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.512 -0.742 . . . . 0.0 112.719 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' H ' HG21 ' A' ' 78' ' ' ILE . . . -85.02 100.49 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 163.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 1.056 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -75.48 76.14 1.34 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.92 -174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.14 171.05 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.697 0.284 . . . . 0.0 110.626 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.33 -29.53 22.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.12 -68.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.052 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.577 ' H ' HD13 ' A' ' 72' ' ' LEU . 32.7 m-85 -86.69 76.3 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.538 -175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.91 -18.99 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.789 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.47 -7.15 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.054 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.506 HG21 ' H ' ' A' ' 70' ' ' ALA . 38.5 mt -102.87 -43.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.622 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -91.35 -63.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.942 0.401 . . . . 0.0 110.619 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -67.14 -49.51 64.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.409 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.71 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 46.1 m-80 -72.77 -35.21 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -74.6 -36.6 62.99 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -58.03 -25.64 61.41 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.734 0.302 . . . . 0.0 111.593 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -48.88 -56.97 7.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.287 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.586 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.8 t -96.88 24.57 6.03 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.169 0.509 . . . . 0.0 111.15 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.715 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.58 141.2 15.44 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.332 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 42.7 mt-10 -89.39 -75.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -104.06 146.07 16.23 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.328 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.39 129.31 51.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.294 0.568 . . . . 0.0 111.256 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.06 102.58 14.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.792 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 20' ' ' VAL . 81.9 mt -78.94 105.07 10.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -111.62 134.41 54.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.119 0.485 . . . . 0.0 111.1 -177.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -145.38 163.74 33.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.311 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB3' ' HD3' ' A' ' 129' ' ' LYS . 5.6 p -105.05 139.39 39.81 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.297 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.56 11.19 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.79 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 132' ' ' LEU . 29.7 p -103.49 -50.04 3.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.074 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.55 99.31 10.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -61.23 -25.85 67.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.583 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -33.09 71.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.999 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 m -68.86 -36.57 78.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.053 0.454 . . . . 0.0 110.212 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.57 -38.2 86.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 m -65.92 -37.23 85.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.09 -14.75 61.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.7 p -57.14 -39.5 75.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 111.417 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.42 -39.8 85.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.477 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.34 -44.45 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.86 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.544 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.3 m-85 -57.58 -51.15 70.68 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.391 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -59.24 -53.75 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.42 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.11 -31.14 72.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.636 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.37 -33.3 71.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.41 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.6 mt -64.8 -43.07 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.853 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.49 -17.48 61.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -72.47 -36.03 68.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.908 0.385 . . . . 0.0 110.551 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.5 m -98.09 -6.82 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.446 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 114' ' ' VAL . 25.0 mtpp -137.51 -140.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.97 6.15 5.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 112.832 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -112.57 16.19 19.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.653 0.74 . . . . 0.0 109.567 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.18 -155.75 0.58 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.514 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.15 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.228 0.467 . . . . 0.0 111.566 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 120' ' ' LYS . 12.8 mmmm -145.04 148.14 33.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.142 0.496 . . . . 0.0 111.085 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.9 mt -113.62 109.76 50.43 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.372 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.9 Cg_endo -85.66 127.81 3.27 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.962 2.441 . . . . 0.0 112.327 174.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.415 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -123.28 122.64 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.619 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.0 tp -113.25 122.96 49.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.5 t -91.91 121.83 42.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.144 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.795 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -117.12 130.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.592 -176.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.19 119.94 6.35 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.137 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 61.5 t30 -105.27 166.98 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.6 mptm? 81.22 14.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.098 0.959 . . . . 0.0 111.338 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m -72.05 -3.81 25.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.876 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 3.1 p30 -86.43 -1.87 57.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.905 HD21 ' HB2' ' A' ' 135' ' ' ARG . 3.5 tp -98.58 -60.73 1.49 Allowed 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.408 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 38.3 tt0 69.87 -48.64 0.62 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.845 0.858 . . . . 0.0 112.473 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.607 ' HG2' ' HG3' ' A' ' 135' ' ' ARG . 3.3 tt0 -55.41 -48.14 74.84 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.508 0.723 . . . . 0.0 111.971 -173.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.905 ' HB2' HD21 ' A' ' 132' ' ' LEU . 66.7 mtt180 -103.08 33.51 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -175.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -64.59 113.97 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.959 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -91.42 -12.27 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.773 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.85 118.92 11.42 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.481 . . . . 0.0 110.446 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.06 135.9 53.59 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.921 2.414 . . . . 0.0 112.552 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -63.09 -21.87 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.86 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.66 -56.03 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.11 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.74 -22.91 49.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.998 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -66.37 -39.63 89.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtp180 -67.42 -32.39 73.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.36 0.6 . . . . 0.0 110.381 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 24.6 t -75.72 -19.39 59.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.076 -176.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.484 ' HA ' ' OE2' ' A' ' 149' ' ' GLU . 12.1 tppt? -72.91 -41.51 64.51 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.766 175.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.75 74.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.051 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 145' ' ' SER . 33.9 tt0 -60.65 -38.18 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.795 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.484 ' OE2' ' HA ' ' A' ' 146' ' ' LYS . 47.2 mt-10 -57.8 -42.0 83.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -90.84 -15.34 30.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.172 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.91 32.83 43.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.951 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.85 -174.93 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-O 120.569 0.223 . . . . 0.0 110.816 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.776 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -104.33 147.33 27.63 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.802 178.408 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -127.17 120.29 28.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.153 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.75 136.24 60.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.28 147.26 26.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.761 0.315 . . . . 0.0 110.47 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 11.0 p -130.89 148.01 52.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.435 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.876 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.1 m -138.25 100.26 4.08 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.22 -25.9 66.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.612 -173.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.54 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.5 t -119.96 8.66 11.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.142 0.496 . . . . 0.0 110.365 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 60.59 30.07 19.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.794 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -77.19 117.15 18.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.432 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.8 13.36 8.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.187 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.41 HG22 HD22 ' A' ' 30' ' ' LEU . 95.8 t -63.08 -49.84 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.858 0.361 . . . . 0.0 110.643 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -76.91 -26.95 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.66 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.964 -175.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.13 -25.67 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -72.66 -56.21 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.46 -37.4 83.48 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.593 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -46.53 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.396 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 176' ' ' ILE . 43.6 tp -69.76 -36.56 75.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 64' ' ' ILE . 66.8 mtp -58.94 -32.44 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.297 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -72.66 -42.37 64.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.117 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -59.98 -35.61 75.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 75.5 mt -56.4 -33.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -60.46 -51.49 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.283 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.3 m -55.4 -47.44 75.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.231 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -69.88 -47.25 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.606 ' HD3' HD23 ' A' ' 12' ' ' LEU . 10.2 tttp -61.29 -34.95 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 94.9 mtp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.925 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.7 m . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 120.599 0.238 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.29 -31.76 72.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.91 41.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.58 -37.75 95.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.095 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 33.6 mm -55.94 -53.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.504 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 65.2 mttm -59.52 -40.07 85.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.369 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.93 -40.03 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.0 mt-10 -74.87 -31.57 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.074 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.596 HG12 ' HB3' ' B' ' 439' ' ' LEU . 80.6 mt -56.3 -50.02 73.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 76.6 mtp180 -55.4 -42.66 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.4 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -60.3 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.293 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.612 ' HB2' HD13 ' B' ' 436' ' ' LEU . 74.5 mm-40 -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -173.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.445 ' OE2' HD21 ' B' ' 436' ' ' LEU . 3.8 mm-40 -59.62 -37.95 80.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.796 0.331 . . . . 0.0 110.406 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -67.55 -48.51 66.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.038 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.42 ' HB2' HG21 ' B' ' 432' ' ' VAL . 7.0 mp -56.36 -48.59 76.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.486 0.184 . . . . 0.0 111.44 175.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' B' ' 409' ' ' LEU . 1.8 tm? -55.78 -48.72 74.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 109.714 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.85 -48.26 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.269 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.6 t -62.01 -53.2 58.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.656 HD11 ' HG3' ' B' ' 428' ' ' ARG . 37.0 mt -54.0 -35.25 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.541 ' CD2' HD21 ' B' ' 429' ' ' LEU . 4.1 m-70 -66.44 -46.21 77.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.049 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -74.13 -33.6 63.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.601 0.239 . . . . 0.0 111.44 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.167 0.508 . . . . 0.0 110.348 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.709 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.6 mp -74.3 -27.16 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.284 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -27.96 55.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.84 -14.09 82.48 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.09 -0.505 . . . . 0.0 113.138 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.02 2.3 39.15 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.102 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.09 121.42 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 19.3 pttp -130.26 142.99 50.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.126 0.965 . . . . 0.0 112.912 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.4 t70 -149.14 163.99 36.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.778 -1.555 . . . . 0.0 106.886 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.77 -28.41 67.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.344 0.593 . . . . 0.0 109.781 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 13.0 m -63.26 -42.49 99.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.4 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.733 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -72.75 -37.17 67.78 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.733 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -73.6 -38.0 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.41 -37.25 77.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.346 0.593 . . . . 0.0 109.559 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.656 ' HG3' HD11 ' B' ' 412' ' ' LEU . 14.0 tpp180 -68.02 -37.88 81.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.694 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' B' ' 413' ' ' HIS . 0.5 OUTLIER -56.86 -50.86 71.18 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.725 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 70.1 m95 -68.13 -32.89 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.504 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.653 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -63.02 -55.89 21.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.07 0.231 . . . . 0.0 111.024 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.587 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.4 p -60.91 -34.03 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 109.897 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.2 tp60 -55.92 -53.67 54.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.5 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.725 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.3 OUTLIER -70.73 -27.35 63.9 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.062 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 432' ' ' VAL . 61.6 mt -67.62 -48.25 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.685 ' HG ' ' HE3' ' B' ' 440' ' ' LYS . 28.7 tp -62.15 -45.92 91.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.67 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.626 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.2 t -67.51 -34.53 77.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.636 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.92 -37.58 75.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.169 175.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -56.44 -47.62 78.73 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.406 176.227 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.685 ' HE3' ' HG ' ' B' ' 436' ' ' LEU . 92.9 mttt -66.01 -34.93 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.935 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -64.17 -44.99 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -60.51 -32.46 71.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.068 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 58.6 tp -61.2 -48.61 80.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.915 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -77.6 -11.34 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.48 -30.71 23.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.049 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.841 -179.782 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 180' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.216 0.531 . . . . 0.0 110.488 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.13 16.56 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.518 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.809 HD21 HH22 ' B' ' 434' ' ' ARG . 57.4 tp -119.91 116.67 26.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.197 176.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 22.7 m-70 -127.94 152.3 48.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -122.43 124.31 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.844 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.19 110.06 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.003 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 89' ' ' PHE . 64.9 mt -96.89 128.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 52.5 tpp -83.53 103.36 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.605 HG23 HD23 ' A' ' 91' ' ' LEU . 6.0 m -95.72 110.69 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.844 0.83 . . . . 0.0 111.988 -172.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 27' ' ' LYS . . . -168.53 163.53 37.25 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.296 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.827 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 16.2 m -104.13 9.79 36.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 117.533 0.667 . . . . 0.0 110.398 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -153.04 17.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.0 3.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.043 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 93' ' ' PHE . 20.4 m -81.79 -37.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.99 -63.08 0.56 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.028 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA3' ' A' ' 21' ' ' GLY . 43.4 mtmt 71.86 -53.8 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.947 1.299 . . . . 0.0 111.352 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 4.7 m -75.64 -20.73 58.29 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.532 -172.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.49 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 ' ND2' ' A' ' 128' ' ' ASN . 6.2 mp -74.64 -41.61 60.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.442 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' A' ' 40' ' ' VAL . 84.7 mt -58.25 -27.61 64.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.4 mm100 -66.95 -38.13 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.64 0.733 . . . . 0.0 109.786 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.43 -17.94 61.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.246 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.42 -44.1 3.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -105.73 -4.42 20.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 73.38 -37.78 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.754 0.659 . . . . 0.0 112.497 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -97.44 165.2 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.322 0.582 . . . . 0.0 111.62 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.34 150.81 36.82 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.349 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HD12 ' A' ' 32' ' ' LEU . 3.3 p -76.9 126.35 37.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.947 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -85.6 -51.03 6.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -158.2 129.55 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -171.99 91.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.9 mt-10 -81.03 -55.95 0.64 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.7 Cg_exo -60.54 111.34 1.0 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.171 1.914 . . . . 0.0 112.663 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 30.01 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -78.82 -56.11 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.583 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.49 15.99 24.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.576 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.21 115.98 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.9 t -143.35 137.76 28.98 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.257 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -124.46 125.93 45.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.216 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -95.35 105.54 17.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -97.82 137.83 36.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.914 -171.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -98.62 120.03 38.34 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.914 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.96 144.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 p -115.75 106.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.726 0.774 . . . . 0.0 110.151 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 170' ' ' PHE . 86.8 mt -93.0 99.59 12.18 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.105 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 74.14 -32.69 0.24 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.491 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.24 -52.3 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.23 -1.462 . . . . 0.0 114.772 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.85 140.81 29.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.996 0.898 . . . . 0.0 111.745 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.33 111.07 9.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.22 140.65 23.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.334 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.46 128.05 56.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -122.87 124.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.804 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.603 ' HB3' ' HZ3' ' B' ' 430' ' ' TRP . 36.8 m-20 -87.24 120.31 28.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.12 128.48 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.888 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 82' ' ' TYR . 21.2 tp -132.67 140.55 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.615 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -92.12 -41.42 10.49 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.331 0.253 . . . . 0.0 111.595 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 78' ' ' ILE . 32.6 p 65.66 152.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.621 1.168 . . . . 0.0 112.268 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -98.37 131.09 44.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.827 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -95.55 65.45 1.24 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.067 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -159.28 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.47 -20.22 61.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.551 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -58.4 -47.89 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.506 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.2 m-85 -117.65 65.87 0.74 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.56 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.74 67.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' B' ' 416' ' ' LEU . . . -70.49 -12.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.049 0.452 . . . . 0.0 111.08 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 69' ' ' THR . 16.6 mt -98.48 -28.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 26.1 tpt180 -92.55 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.79 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.29 -48.35 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.43 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.707 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 14.1 m120 -69.43 -15.7 63.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.492 -171.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -89.47 -3.58 58.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.808 -0.557 . . . . 0.0 112.048 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -76.22 -27.2 56.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD2' ' HD2' ' A' ' 115' ' ' LYS . 12.3 mmm180 -59.4 -55.34 35.99 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.648 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 31.4 m -80.9 36.59 0.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 111.292 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.29 118.9 3.8 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.867 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 34.2 mt-10 -81.17 -63.43 1.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.27 148.14 17.06 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.461 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.9 m-85 -129.87 123.15 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.274 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.77 127.37 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 20' ' ' VAL . 72.4 mt -100.12 106.54 18.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.513 177.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -117.68 129.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.002 0.43 . . . . 0.0 110.657 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' HG11 ' A' ' 25' ' ' VAL . 25.1 p90 -144.96 157.3 44.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.194 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 128' ' ' ASN . 7.7 p -94.75 132.49 39.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.99 177.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.518 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.94 15.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.133 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.724 HG21 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -103.61 -14.61 16.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.95 174.588 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -114.36 100.8 8.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.514 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.459 ' HA ' HG22 ' A' ' 138' ' ' VAL . 26.4 t-80 -65.45 -23.43 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.33 -46.38 83.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.139 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -63.61 -34.21 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.617 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 65.4 t80 -64.88 -48.52 73.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -28.32 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.675 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.25 -15.64 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.326 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.607 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.9 p -59.09 -33.4 70.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 111.257 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.57 81.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.118 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.581 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.607 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -57.71 -51.36 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.653 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -68.04 -49.87 58.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.1 mt-10 -63.77 -37.33 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.044 -174.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -67.03 -30.51 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 0.0 110.427 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.6 mt -63.26 -48.55 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.099 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.33 -21.14 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.533 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 28.1 mmm180 -66.66 -30.35 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.475 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.6 m -117.66 -3.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.059 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HD2' ' HD2' ' A' ' 84' ' ' ARG . 12.8 mmmm -122.5 -142.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.826 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.43 23.06 2.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.424 0.69 . . . . 0.0 111.72 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.55 -13.94 12.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.219 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -86.06 -170.43 3.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.991 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -68.21 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.929 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 25.0 mmtm -153.38 127.61 9.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 111.122 -175.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.5 mt -94.52 106.78 25.77 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.116 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 74.1 Cg_endo -87.76 133.6 3.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.981 2.454 . . . . 0.0 112.259 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.3 131.4 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.265 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.768 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -116.35 120.85 40.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.576 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.411 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.7 t -86.96 117.78 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.05 -178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.648 ' HB ' HG12 ' A' ' 92' ' ' VAL . 26.4 t -108.54 118.28 55.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.089 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.88 94.79 1.68 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.459 ' ND2' HD11 ' A' ' 30' ' ' LEU . 63.0 t30 -93.77 163.15 13.64 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -176.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.7 mptm? 71.81 24.05 3.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -70.92 1.01 6.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.371 0.605 . . . . 0.0 110.236 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -22.15 64.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.718 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.724 HD13 HG21 ' A' ' 96' ' ' THR . 31.3 mt -75.83 -56.63 4.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.149 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 67.91 -71.6 0.11 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.779 0.674 . . . . 0.0 112.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.31 -30.6 71.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 96' ' ' THR . 62.5 mtp180 -89.05 11.67 17.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -57.81 114.14 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 111.482 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 34.9 tt0 -95.75 -30.45 13.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 98' ' ' HIS . 85.0 t -88.05 111.94 46.04 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.275 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 39.2 Cg_exo -60.26 114.28 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.107 1.871 . . . . 0.0 110.877 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -54.91 -25.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.778 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.59 -51.67 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.638 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.58 -30.3 46.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -58.55 -51.13 71.19 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.977 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -69.29 -36.19 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 15.8 t -62.86 -25.41 68.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.512 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 42.8 mmtt -70.84 -37.5 73.15 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.975 -0.453 . . . . 0.0 111.057 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.17 93.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.555 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 145' ' ' SER . 27.1 tt0 -59.12 -46.08 89.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.805 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.95 -44.39 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -85.74 -13.16 49.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.447 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.11 39.31 20.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.153 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.4 m -127.61 -173.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.768 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -106.86 157.7 17.56 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.17 0.51 . . . . 0.0 111.086 178.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -129.39 114.88 16.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.638 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.87 125.38 70.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.04 128.44 34.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.0 p -127.8 135.75 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.404 0.621 . . . . 0.0 112.661 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 38.4 t -95.88 114.69 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.758 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.87 -13.74 50.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -78.41 -33.62 48.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 110.103 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.4 p -95.8 -10.39 29.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.733 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 62.18 37.0 14.66 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.416 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.63 130.14 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.474 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 62.19 16.23 8.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.686 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 168' ' ' VAL . 78.1 t -71.28 -40.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.171 0.51 . . . . 0.0 110.026 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.26 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.2 -50.83 71.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.025 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 165' ' ' VAL . 22.4 m -60.97 -28.04 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -76.09 -50.1 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.498 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 18.6 m-85 -65.56 -48.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.7 -177.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -44.13 92.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.612 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 176' ' ' ILE . 32.5 tp -63.14 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 0.0 110.238 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 64' ' ' ILE . 72.5 mtm -66.33 -31.21 71.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 14.0 mmt180 -67.31 -41.96 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.492 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.17 -36.6 80.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.404 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.608 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 74.9 mt -61.68 -36.54 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 12.6 mtt180 -52.66 -43.1 65.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.183 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -55.0 -43.01 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.548 0.53 . . . . 0.0 111.847 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -73.04 -34.01 66.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.727 0.299 . . . . 0.0 110.782 -178.269 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 28.4 mmmt -64.93 -45.23 86.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.061 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.434 ' HE2' HD21 ' A' ' 12' ' ' LEU . 58.1 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.242 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.447 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.5 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -62.58 -35.88 80.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.961 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.55 -50.28 73.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.313 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.21 -39.16 97.31 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.953 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.525 ' O ' HG13 ' B' ' 402' ' ' ILE . 37.9 mm -58.98 -47.99 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.97 -36.55 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.7 mt-10 -62.1 -45.13 94.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 110.178 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.587 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 6.6 tp10 -67.46 -39.14 85.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.9 mt -57.91 -43.83 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -56.62 -42.35 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.976 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.587 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 30.1 ttm180 -63.1 -45.36 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' B' ' 436' ' ' LEU . 82.3 mm-40 -74.61 -37.2 62.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.993 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' B' ' 436' ' ' LEU . 70.1 mt-10 -65.45 -35.42 80.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.102 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.96 -50.27 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.506 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' B' ' 432' ' ' VAL . 85.1 mt -57.68 -47.69 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.426 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 409' ' ' LEU . 2.2 tm? -62.8 -49.05 76.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.195 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -60.25 -50.6 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.172 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 38.5 m -61.01 -46.02 92.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 53.0 mt -60.0 -44.05 94.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 0.0 110.733 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.416 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.9 m170 -59.84 -48.97 79.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.031 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 414' ' ' ARG . 40.0 mtp180 -67.34 -36.25 81.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.662 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.08 -45.74 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.533 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.811 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 33.8 mt -75.15 -34.35 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.122 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 3.4 mt-30 -68.05 -9.84 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.32 -12.44 83.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.905 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.43 -1.52 25.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.619 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.811 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 38.7 mt -108.74 143.33 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.707 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 45.3 pttt -155.4 169.05 25.14 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.583 0.706 . . . . 0.0 110.962 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.629 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 26.8 t70 -147.63 170.07 18.3 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.14 -33.94 75.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.118 0.485 . . . . 0.0 109.791 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.2 m -63.55 -33.87 76.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.585 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.629 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 53.5 mmtt -64.06 -54.45 33.92 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.431 0.634 . . . . 0.0 110.843 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.46 -36.88 85.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.706 -174.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.0 mm-40 -66.77 -50.01 64.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.21 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.581 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 22.8 mmt180 -61.28 -34.69 75.6 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.172 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.6 mt -55.08 -56.26 21.86 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.587 0.555 . . . . 0.0 110.787 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 35.6 m95 -61.11 -35.86 78.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.963 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.581 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 49.2 mt-10 -64.86 -56.59 12.47 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.368 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.0 p -64.98 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 110.055 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -55.26 -55.37 32.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.162 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.809 HH22 HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.12 -27.2 63.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -177.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 432' ' ' VAL . 83.0 mt -66.58 -47.8 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.535 ' O ' ' HD3' ' B' ' 440' ' ' LYS . 34.9 tp -58.51 -44.4 89.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.46 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.8 t -70.57 -38.23 74.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.58 -35.34 78.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.307 0.575 . . . . 0.0 109.497 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.512 HD12 ' HD3' ' B' ' 442' ' ' LYS . 36.5 tp -68.91 -35.15 76.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.414 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' B' ' 436' ' ' LEU . 4.9 mptp? -60.68 -34.97 75.12 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.491 0.662 . . . . 0.0 109.744 171.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.7 tmt_? -65.83 -41.05 92.28 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.698 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 26.3 mtpp -59.83 -30.68 69.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.924 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.22 -41.26 94.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.361 0.6 . . . . 0.0 109.755 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.94 -1.9 53.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.666 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.698 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 43.8 tt0 -94.15 -26.43 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.974 -175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.582 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 180' ' ' LYS . 68.7 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.26 -2.77 54.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.474 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -116.07 134.31 55.09 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.819 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -137.27 132.21 33.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.493 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -114.15 110.17 19.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.589 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.67 156.94 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.956 0.408 . . . . 0.0 111.533 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 89' ' ' PHE . 53.9 mt -130.33 135.13 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.86 121.12 33.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.946 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG21 HD23 ' A' ' 91' ' ' LEU . 34.2 m -119.48 170.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.743 0.306 . . . . 0.0 111.02 -178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 25' ' ' VAL . . . 154.49 -178.94 30.99 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 p -83.28 -15.35 50.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.656 0.741 . . . . 0.0 110.341 -175.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.08 -55.42 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.757 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 43.73 2.98 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 121.187 0.326 . . . . 0.0 112.38 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 21' ' ' GLY . 28.2 m -117.18 -5.91 11.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.46 -0.435 . . . . 0.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 43.2 45.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.461 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -56.42 -53.81 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.457 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -71.71 -21.46 61.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.571 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -43.44 73.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.165 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD22 HG13 ' A' ' 165' ' ' VAL . 92.9 mt -73.42 -35.73 65.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.245 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 39.9 p -72.53 -42.91 64.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -53.09 -46.81 68.81 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.234 175.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.21 -33.94 76.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.568 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.66 -40.74 84.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 39.7 ttm -82.3 -51.79 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.38 -4.88 28.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -170.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.17 22.52 13.2 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.102 0.477 . . . . 0.0 111.221 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.62 161.98 35.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.633 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.4 147.19 29.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.6 p -60.41 110.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 0.0 111.588 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.25 -56.15 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.221 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -136.38 106.61 6.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.72 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -175.45 91.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.599 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 44.3 mt-10 -81.44 -60.81 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.864 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -72.05 142.99 39.46 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.703 1.602 . . . . 0.0 112.556 -173.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -154.41 44.29 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.423 171.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 78' ' ' ILE . 49.9 mtmt -85.87 -47.78 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -120.19 16.31 12.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.797 0.808 . . . . 0.0 109.399 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 5.3 m-20 -86.34 88.28 7.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.682 -172.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 4.1 t -91.34 137.15 32.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.006 169.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -132.95 103.9 6.29 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.301 0.572 . . . . 0.0 109.932 177.708 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -77.16 120.24 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.26 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 55.9 tptt -104.87 122.65 46.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.676 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -88.97 125.64 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.878 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.423 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.5 m -129.3 142.84 42.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 9.6 p -100.72 114.94 41.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.7 0.762 . . . . 0.0 110.21 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD11 ' SD ' ' A' ' 173' ' ' MET . 81.5 mt -102.49 104.4 14.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.524 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 73.3 -25.15 0.19 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 124.118 0.886 . . . . 0.0 112.385 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.13 -30.82 0.13 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.659 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.41 137.49 33.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 77.9 mt-10 -84.66 113.36 21.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.37 0.605 . . . . 0.0 109.486 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -106.38 138.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.49 -174.31 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.1 117.87 31.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 110.832 -174.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 tt -111.23 129.3 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.477 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -90.63 123.26 34.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.172 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -108.33 112.41 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.84 0.352 . . . . 0.0 110.52 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD12 ' CH2' ' B' ' 430' ' ' TRP . 11.0 mt -105.34 123.08 47.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.603 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -102.13 148.06 25.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.843 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 p -114.92 148.22 38.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.885 0.374 . . . . 0.0 111.294 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.48 164.54 18.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.95 53.64 0.74 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.725 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.76 171.83 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.907 0.384 . . . . 0.0 111.329 -177.658 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -14.15 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -53.56 -65.52 0.55 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.831 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' HB3' HD12 ' A' ' 78' ' ' ILE . 71.3 m-85 -77.91 71.46 4.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.35 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -62.02 -23.61 66.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.083 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.1 -7.02 51.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.652 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 47' ' ' LYS . 68.1 mt -110.03 -31.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.97 0.414 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 2.7 ptm180 -91.67 -64.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.491 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.97 -51.75 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.397 . . . . 0.0 111.04 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.599 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 12.8 m120 -70.08 -18.29 63.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.999 -172.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.2 m-30 -83.11 -26.34 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 19.7 m-30 -61.62 -24.03 66.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.511 ' HG3' ' OE2' ' B' ' 426' ' ' GLU . 3.9 tmt_? -51.33 -58.34 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.887 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.17 25.67 8.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.117 0.484 . . . . 0.0 110.975 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.73 164.1 30.04 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.609 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 39.3 mt-10 -119.73 -71.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.345 0.572 . . . . 0.0 110.191 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.43 130.08 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.998 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.2 m-85 -116.49 117.3 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.159 0.504 . . . . 0.0 111.192 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.8 mt -94.71 106.53 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.922 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 123' ' ' LEU . 28.1 mt -86.96 105.39 17.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.34 131.17 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.321 0.582 . . . . 0.0 110.403 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 30.7 p90 -138.28 175.97 9.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.871 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -115.78 145.64 42.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.808 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.622 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -85.05 0.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.283 -174.021 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -97.42 -61.26 1.42 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.357 176.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -70.33 103.89 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.432 0.634 . . . . 0.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.9 -28.49 68.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.565 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -64.6 -27.62 69.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -75.88 -34.94 60.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.393 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -73.87 -32.98 63.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 110.609 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.9 63.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.151 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.4 p -57.85 -43.2 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.65 -33.6 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.65 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.02 -40.89 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.387 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -58.4 -45.69 87.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.05 0.452 . . . . 0.0 110.049 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -54.98 -52.97 61.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.18 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.62 -31.61 71.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.39 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -63.84 -39.36 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.375 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.95 -26.34 64.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.178 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 113' ' ' ARG . 23.5 ttt180 -62.91 -36.4 83.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.5 m -93.96 3.17 8.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.214 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.536 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 49.9 mttm -128.24 -90.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.73 0.44 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -110.94 75.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.684 0.754 . . . . 0.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.536 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 9.9 pt-20 -143.13 -164.82 1.93 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.252 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -67.01 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.775 0.261 . . . . 0.0 111.145 -172.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.931 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.8 mmmt -141.96 149.96 40.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.5 mt -119.52 93.21 47.11 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.786 0.326 . . . . 0.0 110.292 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.538 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 72.4 Cg_endo -84.38 121.24 2.61 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.211 2.607 . . . . 0.0 113.095 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.562 HD23 HD11 ' A' ' 91' ' ' LEU . 6.7 mp -116.27 157.91 24.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.669 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 125' ' ' VAL . 5.2 tt -147.76 132.09 17.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.48 HG23 HG21 ' A' ' 152' ' ' VAL . 17.8 t -98.11 121.34 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.239 0.543 . . . . 0.0 110.943 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.92 124.13 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.568 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.76 103.73 2.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.676 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.8 t30 -98.08 170.08 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 69.85 18.61 7.32 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.588 0.555 . . . . 0.0 110.773 -174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -61.16 -13.52 18.4 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.358 0.599 . . . . 0.0 110.06 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 158' ' ' SER . 1.6 m-20 -63.84 -19.18 64.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.938 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' CG2' ' A' ' 96' ' ' THR . 29.9 mt -72.47 -55.19 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.493 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 65.75 -73.54 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.778 0.674 . . . . 0.0 112.203 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.55 -28.76 65.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.784 0.326 . . . . 0.0 111.421 -175.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 44.9 mtp180 -86.22 4.5 38.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.311 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 136' ' ' ARG . 39.9 ttp180 -58.35 113.58 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -95.96 -22.78 17.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.06 117.16 52.41 Favored Pre-proline 0 C--N 1.322 -0.598 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.178 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.17 126.2 21.72 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -59.82 -24.78 30.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.616 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.579 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.68 -43.91 62.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.514 0.673 . . . . 0.0 110.184 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.92 79.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.954 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 12.7 mtp85 -71.71 -32.2 67.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.2 t -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 30.2 mmtp -68.11 -33.89 75.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.627 0.251 . . . . 0.0 111.147 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.93 -44.6 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 110.092 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -64.99 -32.71 74.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.241 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.94 -45.99 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.27 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -84.39 -26.19 28.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.15 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.47 36.18 3.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.985 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 125' ' ' VAL . 29.3 m -129.77 -178.96 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-O 120.617 0.246 . . . . 0.0 110.51 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -107.81 141.7 38.99 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 92.5 t80 -104.16 119.88 39.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.463 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.71 131.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.707 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -85.7 115.77 23.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.884 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' ' 163' ' ' ALA . 31.9 p -115.51 129.74 56.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 111.715 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.429 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 11.4 m -112.2 111.25 22.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.943 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.02 -7.87 59.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -171.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -92.85 -4.0 53.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.1 t -144.25 -1.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.311 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 59.36 84.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 157' ' ' THR . . . -120.36 107.81 13.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.174 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 64.64 17.88 11.13 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.735 0.647 . . . . 0.0 111.858 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.434 HG13 HD22 ' A' ' 30' ' ' LEU . 91.8 t -62.55 -52.12 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.83 -19.96 59.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.786 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 61.9 tttp -60.18 -47.73 84.7 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.276 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -60.07 -29.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -75.52 -54.17 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.863 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.52 -38.71 90.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 111.368 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.8 OUTLIER -63.66 -51.05 66.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.467 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -67.38 -29.86 69.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.421 ' SD ' HD11 ' A' ' 57' ' ' LEU . 20.2 ttm -64.77 -33.97 77.23 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -67.12 -44.78 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.6 mt-10 -62.63 -31.81 72.73 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 172' ' ' LEU . 74.6 mt -59.09 -30.72 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.535 0.207 . . . . 0.0 110.986 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -64.2 -42.66 96.52 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 m -66.95 -35.43 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.305 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.931 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.4 mptt -68.08 -31.79 71.66 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.404 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 63.5 mmtt -72.05 -34.06 68.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.458 . . . . 0.0 110.056 174.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.1 mtm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 -176.142 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.069 0.461 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.99 -27.13 68.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.25 60.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.309 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.45 96.41 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.038 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.573 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.5 mm -60.42 -52.64 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.367 0.127 . . . . 0.0 110.953 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.89 -42.64 90.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.65 0.262 . . . . 0.0 111.536 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.1 mm-40 -66.44 -39.99 89.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.573 ' HB3' HD21 ' B' ' 439' ' ' LEU . 1.8 tp10 -67.7 -35.04 78.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.059 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 398' ' ' ILE . 79.2 mt -61.74 -52.41 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.427 HH21 ' CD ' ' B' ' 400' ' ' GLU . 62.0 mtm180 -61.77 -29.96 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.669 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 401' ' ' GLU . 73.2 ttt180 -63.45 -49.77 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.643 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' B' ' 436' ' ' LEU . 29.2 mm-40 -71.89 -33.82 68.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.83 -44.7 93.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.71 -48.09 80.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.17 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.715 ' HB2' HG21 ' B' ' 432' ' ' VAL . 44.2 mt -59.83 -51.39 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.51 HD23 ' HB1' ' A' ' 48' ' ' ALA . 21.2 tp -62.67 -46.72 86.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.516 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -56.92 -48.72 77.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.421 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.44 -54.53 45.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 65.9 mt -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.89 -44.09 91.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.03 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -77.18 -44.63 29.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.643 0.259 . . . . 0.0 111.326 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.554 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.691 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 42.9 mt -71.04 -26.22 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -64.5 -19.14 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.115 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.17 88.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.462 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.54 -15.39 53.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.975 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.1 mt -86.22 124.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.595 ' HA ' HD22 ' B' ' 416' ' ' LEU . 24.4 pttm -148.01 152.59 37.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.046 0.451 . . . . 0.0 110.305 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.504 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.2 t70 -148.37 162.01 40.42 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.411 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.5 mp -65.37 -28.03 68.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.907 0.384 . . . . 0.0 110.829 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 18.5 p -63.5 -35.63 81.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.137 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.504 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.2 mmtt -73.31 -47.89 38.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.558 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.511 ' OE2' ' HG3' ' A' ' 84' ' ' ARG . 31.1 mt-10 -60.83 -47.42 86.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.281 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.33 -34.79 70.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.8 tpt180 -64.96 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.907 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.601 HD11 HD12 ' B' ' 416' ' ' LEU . 15.9 mt -56.54 -57.73 11.07 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.923 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.577 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 36.2 m95 -64.55 -31.55 72.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.514 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 38.1 tt0 -67.29 -56.33 10.22 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' B' ' 408' ' ' LEU . 9.9 p -63.78 -32.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.314 0.578 . . . . 0.0 109.678 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 24.3 tp60 -56.45 -57.74 10.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.806 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -63.36 -27.96 69.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.278 -176.459 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.9 mt -70.6 -49.77 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.441 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 33.0 tp -58.27 -39.53 79.46 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.1 t -71.47 -42.53 68.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.647 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.26 -34.5 78.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.379 0.609 . . . . 0.0 109.634 176.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' B' ' 401' ' ' GLU . 21.9 tp -69.24 -32.57 71.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.03 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 34.7 mmtp -60.75 -37.02 80.39 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.432 0.634 . . . . 0.0 109.575 171.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 4.6 tmt_? -63.78 -40.61 97.09 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 20.2 mtpp -64.67 -27.67 69.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.957 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' B' ' 402' ' ' ILE . 40.8 tp -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -83.71 -1.67 54.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.046 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.688 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 31.2 tt0 -85.81 -54.27 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.884 -177.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.933 -176.641 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.046 0.451 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.587 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -83.56 18.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.138 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' O ' ' HE3' ' A' ' 180' ' ' LYS . 62.6 tp -130.78 129.57 42.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.76 148.92 46.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.569 0.223 . . . . 0.0 110.837 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -118.94 119.55 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.005 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -125.09 123.78 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' CE1' ' A' ' 89' ' ' PHE . 66.4 mt -109.51 129.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mmm -87.31 101.54 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.802 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.68 139.41 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.108 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.66 146.4 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.917 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 7.7 t -80.53 94.02 6.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 95.53 -72.08 0.94 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.56 105.72 0.33 Allowed Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.086 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 93' ' ' PHE . 60.4 t -74.56 -75.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.889 0.375 . . . . 0.0 110.298 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.48 33.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.948 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 17.0 pttp -79.29 -8.81 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -79.06 -29.58 43.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.087 0.47 . . . . 0.0 110.26 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.07 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.038 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.83 -45.91 88.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.427 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.455 HG21 HG21 ' A' ' 66' ' ' ILE . 36.2 p -76.52 -39.23 53.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.469 -175.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 40' ' ' VAL . 21.9 tp -55.24 -41.05 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 110.843 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.75 -30.81 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -72.3 -49.18 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.638 ' SD ' HD12 ' A' ' 66' ' ' ILE . 3.8 mpp? -70.4 -45.98 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 96.9 m-85 -96.46 -88.85 0.27 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.648 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 34.6 t70 168.6 -30.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.077 0.465 . . . . 0.0 111.27 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.56 150.51 20.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.211 0.529 . . . . 0.0 111.498 -171.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -76.1 138.76 40.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.415 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' HB ' HD23 ' A' ' 32' ' ' LEU . 7.1 p -67.18 119.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.513 0.673 . . . . 0.0 111.509 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -94.01 -48.43 6.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.145 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -145.76 136.0 23.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.162 171.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -171.26 91.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 15.2 mm-40 -66.66 -56.88 13.32 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -167.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 51.2 Cg_exo -51.59 -93.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 122.771 2.314 . . . . 0.0 114.664 -168.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.742 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 18.0 p 48.84 34.32 5.23 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -86.36 -47.43 9.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.353 0.597 . . . . 0.0 109.415 171.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.5 12.88 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.742 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.3 m-20 -73.33 93.75 1.95 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.923 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 18.9 m -108.87 174.51 5.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.51 -0.768 . . . . 0.0 108.94 176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 13.0 t80 -156.1 140.05 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -99.78 112.42 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 58.6 tptt -109.84 140.6 43.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.308 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 9.0 ttmt -109.55 127.59 54.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.1 m -139.43 149.25 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.449 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.6 p -120.27 138.77 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.075 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 44.1 mt -139.23 124.25 18.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.555 169.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 6.5 t70 83.12 -49.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.169 0.918 . . . . 0.0 112.9 175.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.66 -71.61 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 118.874 -1.631 . . . . 0.0 114.841 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.7 pt-20 -92.55 139.48 30.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.82 0.31 . . . . 0.0 110.908 -170.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.9 mt-10 -71.21 124.45 24.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.439 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -106.6 140.77 23.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 -173.423 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -113.1 124.08 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.201 0.524 . . . . 0.0 109.964 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.56 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.6 tt -123.54 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.34 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.74 117.63 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.638 HD12 ' SD ' ' A' ' 35' ' ' MET . 30.1 mt -107.74 131.32 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.4 121.18 40.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.217 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 35.2 t0 -99.35 108.14 20.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -82.65 142.43 31.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.4 113.8 14.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.526 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -83.38 71.37 3.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.514 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -139.13 171.41 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.828 0.347 . . . . 0.0 110.813 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.0 5.15 47.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.491 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.2 m-20 -86.17 -82.88 0.19 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.439 0.638 . . . . 0.0 111.062 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.4 m-85 -78.63 78.78 5.07 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.325 -174.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.12 -16.81 63.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.087 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -70.18 -13.19 62.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.01 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.563 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 68.6 mt -99.31 -37.49 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' NH2' ' HG2' ' A' ' 110' ' ' GLN . 4.0 ttp180 -87.15 -68.01 0.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.135 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.32 -42.57 30.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.702 -172.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.915 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -70.41 -17.66 63.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.645 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 6.2 m-85 -87.74 -20.64 25.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -63.16 -26.65 68.91 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -57.31 -66.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -75.93 25.93 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.99 144.4 17.25 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.165 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.557 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 59.9 mt-10 -101.8 -70.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.13 143.08 15.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.027 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE1' HD12 ' A' ' 18' ' ' ILE . 89.4 m-85 -126.02 127.44 45.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.407 . . . . 0.0 111.004 -176.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.77 115.36 30.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.702 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 HG22 ' A' ' 125' ' ' VAL . 83.8 mt -88.77 107.49 18.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 128' ' ' ASN . 97.8 t -99.51 118.28 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.311 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.68 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 10.4 p90 -144.95 154.15 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.075 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.6 p -100.56 147.28 26.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.566 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -86.99 6.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.599 HG23 HD22 ' A' ' 132' ' ' LEU . 17.4 p -86.46 -49.88 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.379 0.609 . . . . 0.0 109.438 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.59 102.97 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.144 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -68.5 -18.78 64.46 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.533 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 99' ' ' GLU . 5.6 tp10 -65.37 -28.75 69.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 0.0 110.484 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.68 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 42.3 m -67.4 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 0.0 110.298 176.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.3 t80 -78.65 -24.93 44.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.174 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -39.51 29.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.337 0.589 . . . . 0.0 109.845 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.66 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.844 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.646 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 1.2 p -63.58 -28.78 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.471 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.22 85.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.458 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.93 -44.98 94.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.98 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 7.4 m-85 -58.93 -50.98 71.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.082 0.468 . . . . 0.0 109.968 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.14 -46.02 83.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.432 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.04 -33.92 74.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.731 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.438 ' HG2' ' NH2' ' A' ' 79' ' ' ARG . 5.7 tp-100 -67.66 -36.2 80.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 107' ' ' PHE . 84.4 mt -64.08 -45.24 97.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.137 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -76.3 -38.49 56.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -93.18 -4.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.784 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.8 mttm -130.98 -69.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.997 0.427 . . . . 0.0 111.444 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 59.59 79.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.816 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.77 41.13 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.386 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.7 -45.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.679 0.275 . . . . 0.0 110.682 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.03 -90.35 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.597 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 37.5 mmtm -151.94 125.54 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.4 mt -112.09 97.86 40.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.417 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.557 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 93.2 Cg_endo -86.91 116.74 1.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.745 2.297 . . . . 0.0 112.523 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.597 ' HB2' HG11 ' A' ' 152' ' ' VAL . 7.2 mp -111.73 150.61 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.175 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 153' ' ' GLN . 1.0 OUTLIER -136.86 113.54 10.26 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.453 HG22 HD12 ' A' ' 91' ' ' LEU . 20.7 t -81.11 118.65 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.275 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.14 109.89 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.402 -173.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.4 91.7 0.65 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.494 ' HB2' HG13 ' A' ' 92' ' ' VAL . 66.7 t30 -89.24 142.95 27.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 132' ' ' LEU . 23.7 tptm 68.28 67.41 0.33 Allowed 'General case' 0 C--O 1.221 -0.431 0 O-C-N 123.909 0.755 . . . . 0.0 109.73 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -101.69 8.05 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.793 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.33 14.99 3.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.548 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -95.61 -56.53 2.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.975 176.33 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 132' ' ' LEU . 12.7 tt0 62.12 -66.4 0.08 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.252 1.021 . . . . 0.0 112.87 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.65 -14.31 50.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 112.016 -175.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 5.0 mpt_? -110.76 21.26 16.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.57 114.5 10.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -114.03 -3.36 13.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 111.157 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 95' ' ' ILE . 83.1 t -108.44 108.1 60.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.93 122.08 11.02 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.211 1.941 . . . . 0.0 111.008 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -58.98 -21.82 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.43 -55.14 37.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.51 -33.63 60.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -57.54 -48.66 78.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.014 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -69.59 -39.74 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.076 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.6 t -55.36 -35.97 65.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.661 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.6 mmtt -68.31 -34.34 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.422 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -64.29 -43.92 93.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 176.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.94 -29.85 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.03 -40.22 94.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.499 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -95.89 2.89 53.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 69.11 34.02 75.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.65 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.597 HG11 ' HB2' ' A' ' 123' ' ' LEU . 34.0 m -120.53 -167.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.763 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -116.35 162.04 18.12 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.319 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 82.1 t80 -132.18 119.03 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.705 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.91 132.58 67.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.011 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.95 146.17 26.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -133.21 130.3 38.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.362 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.412 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 21.9 m -116.59 95.08 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 173.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.51 -22.56 65.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.19 -14.03 52.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 t -144.03 10.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.466 0.651 . . . . 0.0 109.919 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 53.76 61.15 3.23 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.41 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -106.63 114.67 28.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.567 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 66.86 12.8 9.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.88 0.738 . . . . 0.0 112.015 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.92 -45.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.371 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.81 -33.66 62.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.17 -51.04 69.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.283 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.86 -31.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.453 ' CZ ' HG22 ' A' ' 31' ' ' THR . 93.8 m-85 -75.29 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.653 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -60.56 -37.44 81.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.396 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -51.11 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.4 tp -67.34 -36.14 80.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.24 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.56 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.1 mtp -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.74 -41.72 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.818 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 25.1 mt-10 -59.17 -39.54 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.481 177.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 57.7 mt -58.1 -29.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.456 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -61.54 -49.29 77.27 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.34 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.3 m -63.0 -36.58 84.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.669 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.597 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 14.4 mptt -61.58 -42.87 99.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.522 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 14' ' ' LEU . 68.9 mttm -69.24 -36.02 76.73 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.018 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.236 177.392 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.489 ' O ' HG12 ' B' ' 398' ' ' ILE . 74.2 m . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.22 0.533 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.16 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.92 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.11 0.481 . . . . 0.0 110.84 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.18 -35.78 91.38 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.022 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.49 ' O ' HG13 ' B' ' 402' ' ' ILE . 40.3 mm -57.04 -49.59 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.681 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.2 -42.36 86.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -63.94 -46.5 84.45 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.46 -44.49 96.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.399 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' B' ' 439' ' ' LEU . 91.8 mt -53.66 -54.76 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.061 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -65.02 -30.21 71.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 61.9 ttt180 -62.27 -47.83 82.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.924 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.1 mm-40 -76.47 -31.45 57.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 61.9 mt-10 -59.98 -42.17 93.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.77 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.571 ' HB2' HG21 ' B' ' 432' ' ' VAL . 38.4 mt -62.87 -52.41 63.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.435 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -60.61 -41.28 94.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.424 0.63 . . . . 0.0 109.968 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -55.69 -46.92 77.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.67 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.8 t -60.46 -55.43 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.429 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.0 mm? -54.59 -40.08 68.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 178.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -63.66 -40.16 96.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.157 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.456 ' HA ' HE21 ' B' ' 417' ' ' GLN . 92.0 mtt180 -75.64 -46.97 28.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 111.133 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.23 -47.17 85.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.574 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 425' ' ' LYS . 7.0 mp -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' B' ' 414' ' ' ARG . 40.9 mt-30 -61.86 -19.74 62.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.333 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.41 2.17 78.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.686 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.98 28.04 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.027 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 46.7 mt -95.42 116.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -128.16 143.08 51.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.777 0.799 . . . . 0.0 112.097 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.446 ' H ' ' CG ' ' B' ' 425' ' ' LYS . 14.3 t70 -150.11 171.44 16.88 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 171.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 7.6 mp -71.74 -29.68 64.78 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 14.0 m -65.29 -38.25 89.65 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.022 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.677 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -64.46 -38.39 90.86 Favored 'General case' 0 C--N 1.342 0.239 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.105 -172.517 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.677 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 pt-20 -73.89 -37.13 64.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.6 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 52.4 mt-10 -62.52 -42.23 99.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.711 ' O ' HG12 ' B' ' 432' ' ' VAL . 37.7 mmt180 -61.05 -50.91 71.42 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.016 174.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.615 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.7 mt -56.31 -57.01 14.06 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.172 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.669 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 70.9 m95 -60.63 -35.47 76.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.376 0.423 . . . . 0.0 111.257 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 6.6 tp10 -72.81 -55.81 6.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.449 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.711 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.3 p -62.29 -33.03 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.162 0.506 . . . . 0.0 110.273 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -55.12 -54.6 41.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.481 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.669 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.32 -27.5 63.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -177.063 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 432' ' ' VAL . 68.6 mt -67.44 -48.22 78.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.954 0.407 . . . . 0.0 109.974 175.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD21 ' HG2' ' B' ' 406' ' ' GLU . 32.0 tp -59.35 -43.56 92.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.456 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.7 t -67.2 -34.35 77.3 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.867 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.8 mp -63.04 -40.31 97.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.627 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -58.36 -43.18 88.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 109.912 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -64.89 -43.43 92.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.819 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 13.9 mmmm -58.37 -33.87 70.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.496 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.6 ' HB2' HD11 ' B' ' 402' ' ' ILE . 45.8 tp -68.54 -37.57 80.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.326 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -82.8 -3.94 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.428 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.42 -42.56 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.056 -177.123 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.44 17.15 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.305 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.794 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 tp -124.28 115.49 21.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.605 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.87 132.66 53.79 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.916 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.794 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -100.3 115.31 29.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.26 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 64' ' ' ILE . 89.7 t -109.43 114.15 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.986 0.422 . . . . 0.0 110.968 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.01 124.97 66.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.4 mtt -87.9 106.8 18.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.947 0.403 . . . . 0.0 110.401 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 91' ' ' LEU . 15.2 m -95.84 127.73 47.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 171.99 -28.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.996 -177.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 5.7 m 77.78 -63.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.843 0.457 . . . . 0.0 110.644 176.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 147.67 48.83 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.19 65.39 4.08 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.184 -1.008 . . . . 0.0 111.236 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 t -71.58 65.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.986 0.898 . . . . 0.0 110.854 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 30' ' ' LEU . . . 71.5 7.61 64.85 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-N 114.583 -1.189 . . . . 0.0 113.234 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' A' ' 68' ' ' ASP . 12.9 ptmm? -57.7 -37.82 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' HD13 ' A' ' 32' ' ' LEU . 29.3 m -60.9 -42.76 98.65 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.97 -43.5 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 90.5 mt -58.4 -46.42 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.21 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.463 HG22 HG21 ' A' ' 66' ' ' ILE . 69.4 p -67.1 -40.34 86.87 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.94 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 ' HB ' ' A' ' 40' ' ' VAL . 10.1 mp -66.38 -33.74 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.285 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 76.2 mm-40 -57.77 -43.66 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.0 110.698 175.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.11 -50.88 14.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.874 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 67.8 mtm -78.06 -43.21 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 5.3 m-85 -95.67 -18.03 20.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.375 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.6 m-20 70.1 9.73 7.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.667 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.51 169.97 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.181 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.94 149.74 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.683 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.6 p -74.05 102.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.495 0.664 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.79 -45.27 8.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.486 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -145.61 96.03 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.182 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' HG23 ' A' ' 40' ' ' VAL . 48.7 t80 -164.63 92.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.009 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.0 mt-10 -76.29 -57.75 1.32 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.229 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 14.9 Cg_endo -55.28 109.57 0.43 Allowed 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.628 2.219 . . . . 0.0 113.347 -173.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -151.29 48.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.759 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -87.11 -60.16 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 0.0 110.218 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.65 20.81 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.342 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.4 m-20 -75.38 83.37 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.645 -172.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' OG ' HD12 ' A' ' 67' ' ' LEU . 35.0 m -91.16 148.64 22.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.296 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 29.6 t80 -144.14 158.81 43.5 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 6.0 ptp180 -112.92 138.98 48.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HG3' HG13 ' A' ' 55' ' ' VAL . 48.4 tptt -106.08 125.89 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.123 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -79.78 111.23 15.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.638 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.2 m -137.92 144.88 29.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.4 p -120.3 128.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.187 0.518 . . . . 0.0 109.681 173.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -126.21 98.03 5.31 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.97 29.5 19.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.467 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.01 -122.09 0.59 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.361 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 pt-20 -109.4 168.88 9.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -58.76 120.97 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.13 0.49 . . . . 0.0 110.979 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -106.93 147.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.036 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -113.8 117.61 31.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.622 0.725 . . . . 0.0 110.29 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 17' ' ' VAL . 6.5 tt -113.54 113.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 42.9 m-20 -90.44 126.36 35.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 HG22 ' A' ' 31' ' ' THR . 30.4 mm -106.46 112.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OG ' ' A' ' 50' ' ' SER . 61.2 tp -82.86 107.16 15.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.236 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 26.5 t70 -83.57 88.46 7.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 m -79.19 139.66 37.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.244 -173.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.18 135.38 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.865 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -129.69 91.54 0.31 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.838 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.676 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.1 pt? -151.91 -171.78 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -175.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.34 2.33 32.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.392 . . . . 0.0 111.369 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.676 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 7.4 m-20 -110.15 -75.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.396 0.617 . . . . 0.0 111.177 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.466 ' HB2' HD21 ' A' ' 72' ' ' LEU . 98.5 m-85 -79.82 85.48 5.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.418 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' ARG . . . -93.23 -26.25 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.634 176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -66.92 -20.8 65.97 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 75' ' ' TYR . 10.2 mt -77.19 -30.15 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.564 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -92.76 -65.95 0.96 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.051 178.685 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.34 -46.92 81.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.149 0.499 . . . . 0.0 111.88 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.97 -17.25 57.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.98 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' OH ' HD11 ' B' ' 409' ' ' LEU . 6.5 m-85 -87.32 -15.14 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 20' ' ' VAL . 19.7 m-85 -63.58 -16.66 61.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.8 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -65.46 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.638 -174.888 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.4 m -86.02 36.6 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -170.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.96 143.94 13.6 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.4 OUTLIER -109.67 -35.39 6.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 117.653 0.727 . . . . 0.0 111.79 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.23 115.23 3.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.421 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -117.56 112.65 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.138 0.494 . . . . 0.0 111.005 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 124' ' ' LEU . 77.7 mt -91.7 109.49 20.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.84 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.544 ' HA ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -79.27 105.88 10.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 126' ' ' VAL . 19.1 m -113.73 132.19 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 112.111 -174.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -152.04 163.28 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.692 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 96' ' ' THR . 18.6 p -102.64 138.91 38.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.568 HG13 ' HE ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.8 15.78 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.351 0.596 . . . . 0.0 111.494 -176.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 132' ' ' LEU . 15.3 p -122.97 5.93 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.378 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -124.28 102.21 7.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.515 0.674 . . . . 0.0 109.492 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -65.67 -31.53 72.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.288 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.23 -44.69 83.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.95 -176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.1 p -64.83 -26.64 68.42 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.613 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.89 -50.91 45.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.4 m -66.55 -28.22 68.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.383 0.611 . . . . 0.0 110.517 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.26 61.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.306 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.2 p -51.31 -46.74 62.64 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 111.677 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.35 -41.94 84.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -58.09 -47.15 84.1 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.29 -44.11 83.77 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.627 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -65.15 -38.06 89.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.395 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.32 -38.36 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.165 0.507 . . . . 0.0 109.945 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 107' ' ' PHE . 74.8 mt -64.05 -54.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.12 -17.99 65.11 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -66.59 -33.74 76.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.076 0.465 . . . . 0.0 110.755 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.721 HG23 ' HG2' ' A' ' 115' ' ' LYS . 32.9 m -111.02 3.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.244 0.545 . . . . 0.0 110.733 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 12.0 mmmm -136.16 -148.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 77.86 -0.36 2.71 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.179 0.992 . . . . 0.0 111.705 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -111.83 12.78 20.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.101 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.673 ' OE1' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.85 -160.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -175.408 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.6 -73.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 0.0 110.341 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 16.2 tppt? -168.75 136.41 2.0 Allowed 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 115' ' ' LYS . 85.2 mt -94.47 108.63 37.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.898 0.38 . . . . 0.0 111.217 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.1 Cg_endo -84.24 125.84 3.59 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.78 2.32 . . . . 0.0 111.601 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.1 144.77 38.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.071 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.802 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.6 tp -139.11 116.27 11.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 172.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.403 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.4 t -89.15 126.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.556 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -120.18 132.62 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.29 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.3 113.46 4.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.984 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 62.9 t30 -96.21 164.26 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 12.8 mptt 74.13 25.75 1.76 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.764 0.665 . . . . 0.0 111.501 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.8 t -65.83 -9.07 25.55 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.409 0.623 . . . . 0.0 109.895 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.4 -15.12 62.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.042 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.857 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.2 mt -77.2 -45.7 25.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.811 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 63.86 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.178 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.54 -17.45 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.137 0.494 . . . . 0.0 110.91 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.857 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.7 mtp180 -87.34 -0.23 56.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.887 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.568 ' HE ' HG13 ' A' ' 95' ' ' ILE . 41.4 ttm180 -53.84 113.85 1.36 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.539 ' H ' ' HA ' ' A' ' 96' ' ' THR . 30.1 mm-40 -91.24 -27.08 18.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.9 p -114.13 122.47 34.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.98 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.12 119.67 6.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 111.246 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.09 -12.03 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.292 0.568 . . . . 0.0 109.893 -176.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -57.54 -46.51 83.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.478 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.76 -14.31 54.7 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.41 -34.36 41.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.218 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.6 mtp180 -66.26 -35.94 81.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.983 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -58.41 -30.92 67.24 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.863 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -65.32 -48.68 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.324 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.08 93.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.08 -37.26 86.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.94 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -45.89 70.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.06 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -77.01 -16.66 59.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.19 32.81 10.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.113 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.57 -179.05 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.595 0.236 . . . . 0.0 110.803 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.802 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -103.07 163.2 12.36 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.949 0.404 . . . . 0.0 111.31 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -134.43 127.64 31.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.946 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.86 131.41 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.361 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.82 144.03 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.552 ' HB ' HG22 ' A' ' 165' ' ' VAL . 31.1 p -128.18 140.33 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.258 0.552 . . . . 0.0 112.147 -175.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 20.7 t -102.34 123.16 45.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.515 172.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.11 -1.77 47.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.685 0.278 . . . . 0.0 111.263 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 160' ' ' LYS . 25.1 tptp -92.11 -22.5 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.014 0.435 . . . . 0.0 110.941 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.6 t -130.37 1.01 4.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.456 0.646 . . . . 0.0 109.805 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 56.07 71.71 0.54 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.053 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -116.88 129.39 56.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.929 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 71.17 -4.6 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.871 0.732 . . . . 0.0 111.912 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 157' ' ' THR . 62.0 t -70.23 -43.61 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.123 -176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -71.29 -23.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 34.0 tttm -60.04 -56.43 21.79 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.405 HG11 HG22 ' A' ' 126' ' ' VAL . 34.9 m -60.45 -28.84 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.411 ' O ' ' HG3' ' A' ' 173' ' ' MET . 82.7 m-85 -70.09 -52.1 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.619 0.247 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -69.7 -34.97 74.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.198 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 31.1 t0 -60.46 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.67 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.5 tp -69.62 -34.1 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.412 ' SD ' HD12 ' A' ' 64' ' ' ILE . 53.1 mtm -61.76 -31.54 71.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.353 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -70.98 -33.98 70.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.118 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.39 -38.71 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.552 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.5 mt -55.17 -39.2 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.944 -175.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 177' ' ' ARG . 7.3 ptp180 -71.08 -39.65 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.533 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 25.8 m -71.53 -33.65 69.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.44 -43.66 98.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.235 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 33.3 mmtp -73.7 -40.95 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.57 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.07 -179.645 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.458 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.7 m . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.826 0.346 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.06 -37.16 86.1 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.09 82.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.408 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.95 95.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.908 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' B' ' 443' ' ' LEU . 38.4 mm -60.86 -50.61 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 402' ' ' ILE . 96.2 mttt -60.49 -34.66 74.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.95 -38.25 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.511 0.196 . . . . 0.0 111.086 175.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' B' ' 439' ' ' LEU . 58.7 mt-10 -68.3 -38.82 82.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.245 176.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.657 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.95 -50.37 53.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.527 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 21.9 mmm180 -56.35 -42.34 77.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.962 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 34.3 ttm180 -59.83 -47.89 83.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.107 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.603 ' HB2' HD23 ' B' ' 436' ' ' LEU . 69.0 mm-40 -71.32 -28.98 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.27 -177.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 46.5 mt-10 -59.95 -45.17 93.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.31 -46.07 71.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.1 mt -60.15 -47.28 86.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.56 HD11 ' OH ' ' A' ' 82' ' ' TYR . 43.1 tp -69.42 -32.6 71.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.012 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.74 -47.61 82.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.9 t -59.41 -51.85 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' B' ' 429' ' ' LEU . 1.9 mm? -54.05 -46.45 71.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.347 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.473 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 25.8 m170 -57.87 -49.06 77.98 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.135 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -69.68 -38.0 76.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.2 -48.39 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 425' ' ' LYS . 7.0 mp -68.81 -32.92 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.549 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 2.8 mt-30 -69.34 -9.69 54.5 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.051 0.453 . . . . 0.0 111.012 176.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.17 86.77 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.25 28.14 5.61 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.129 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 53.2 mt -132.52 127.8 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.912 0.356 . . . . 0.0 110.091 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -133.37 152.42 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 0.0 111.367 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.622 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.7 t70 -149.86 161.54 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.318 171.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.4 -32.14 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.716 0.293 . . . . 0.0 111.254 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.63 -33.02 74.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.252 0.549 . . . . 0.0 110.003 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' B' ' 416' ' ' LEU . 47.1 mmtt -72.69 -45.44 58.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.927 -176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.56 -43.99 95.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.385 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -63.55 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.662 ' O ' HG23 ' B' ' 432' ' ' VAL . 24.9 tpt180 -70.85 -37.1 73.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.578 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 7.6 mt -59.39 -44.74 92.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.544 0.212 . . . . 0.0 111.396 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.695 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 37.3 m95 -69.34 -32.63 71.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.52 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -61.84 -55.85 25.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.92 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -61.92 -34.65 63.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 121.31 0.576 . . . . 0.0 109.625 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.468 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.8 tp60 -55.46 -51.2 67.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.99 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.73 -25.78 62.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.144 -178.717 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' B' ' 432' ' ' VAL . 30.3 mt -75.12 -43.95 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.564 177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.42 -41.08 79.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.112 174.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.612 HG22 ' HA ' ' B' ' 434' ' ' ARG . 6.2 t -77.41 -32.85 55.0 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.596 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.22 -36.31 83.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.926 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -64.02 -35.53 81.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.927 176.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -60.2 -37.24 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.256 0.551 . . . . 0.0 109.549 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.83 -43.04 69.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.349 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.926 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.3 mtpt -58.72 -33.34 70.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.788 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' B' ' 398' ' ' ILE . 3.0 tm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -74.1 -22.91 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.652 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -73.32 -33.33 65.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.647 -179.039 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.625 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -94.97 3.39 55.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 111.606 -172.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -129.54 129.53 44.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.308 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -132.22 140.58 48.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.637 0.256 . . . . 0.0 110.757 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -119.16 107.58 13.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 64' ' ' ILE . 30.4 m -115.54 119.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.701 0.762 . . . . 0.0 110.669 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.65 113.39 43.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.3 ttm -84.74 108.62 17.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.354 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.96 170.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.571 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 150.46 166.06 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -85.15 114.34 22.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.175 0.512 . . . . 0.0 110.27 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 78.22 -81.16 1.33 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.796 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -151.73 -54.81 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.345 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG11 ' HA ' ' A' ' 93' ' ' PHE . 15.1 t 56.77 57.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.566 0.698 . . . . 0.0 110.166 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 11.66 65.95 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.284 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.796 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 18.0 ttmm -53.77 -62.91 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.846 0.458 . . . . 0.0 112.132 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 15.2 m -73.26 -14.85 61.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.412 -172.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.64 -45.25 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.239 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.5 -40.36 64.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.465 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 10.9 p -63.23 -39.48 94.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 111.72 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.67 -35.18 80.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.907 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.7 mm100 -64.62 -42.97 95.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.01 0.434 . . . . 0.0 110.637 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.41 -27.76 66.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.0 mtp -87.2 -60.94 1.84 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.911 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 94.1 m-85 -110.08 -12.54 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 32.3 t70 73.28 2.23 4.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.277 0.56 . . . . 0.0 111.502 177.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.29 145.88 26.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.981 0.42 . . . . 0.0 110.865 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -78.25 148.98 33.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.085 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.23 104.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 111.842 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -89.24 -56.38 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.31 94.59 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.014 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -155.81 97.89 1.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.207 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.733 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.4 tp10 -116.42 -49.69 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -173.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 27.2 Cg_endo -61.17 93.14 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.047 1.831 . . . . 0.0 114.173 -173.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.7 p -138.75 72.72 1.41 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.259 0.552 . . . . 0.0 109.594 170.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.31 -59.26 2.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.497 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -125.79 -14.66 6.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -169.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -84.72 159.34 20.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 t -132.38 147.83 52.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -126.62 152.72 46.29 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.781 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 37.5 ttm180 -120.01 132.74 55.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.482 . . . . 0.0 110.866 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -110.64 129.54 55.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.422 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -97.63 121.27 39.34 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.931 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.82 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.633 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -96.61 115.37 35.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.751 HD21 ' HD3' ' A' ' 174' ' ' ARG . 32.9 tp -104.16 100.18 9.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.727 -173.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 71.71 -21.35 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.889 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.32 -46.87 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.45 146.92 26.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 117.614 0.707 . . . . 0.0 110.928 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 mt-10 -78.87 115.33 18.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.666 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.625 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.8 t -107.27 152.68 8.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.858 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.781 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 49.8 mt-30 -113.27 119.49 37.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.484 . . . . 0.0 110.598 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 17' ' ' VAL . 4.7 tt -119.21 118.1 56.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.44 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.75 126.18 35.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.948 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.45 123.06 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.453 0.644 . . . . 0.0 110.801 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 82' ' ' TYR . 20.7 tp -106.51 103.84 13.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.069 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.37 87.04 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.302 0.573 . . . . 0.0 109.481 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -75.2 145.73 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.3 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 120.4 16.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -82.4 61.62 4.69 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.44 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -138.18 173.04 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.575 0.226 . . . . 0.0 110.803 -178.526 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 79' ' ' ARG . 41.9 mt-10 -94.78 -5.73 44.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.33 -64.44 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 111.476 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.529 ' H ' HD13 ' A' ' 72' ' ' LEU . 70.3 m-85 -84.82 78.71 9.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.937 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.02 64.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.875 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.584 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -75.75 -10.07 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.46 . . . . 0.0 111.009 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.656 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 23.2 mt -104.5 -30.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 0.0 109.953 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 73' ' ' GLU . 55.5 ttp180 -90.96 -65.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.146 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.6 -57.46 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.207 0.527 . . . . 0.0 111.652 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -68.89 -17.08 63.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.46 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -89.1 -6.6 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.073 -0.392 . . . . 0.0 111.929 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 114' ' ' VAL . 9.1 m-30 -77.73 -24.48 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.968 -176.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -64.57 -57.62 8.63 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.08 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 24.5 t -81.29 -3.16 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.084 0.468 . . . . 0.0 111.142 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.53 137.62 14.43 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.123 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 4.8 tp10 -133.18 65.0 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.671 0.748 . . . . 0.0 109.057 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.424 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . 164.07 111.24 0.25 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -122.71 124.73 44.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.375 0.607 . . . . 0.0 111.569 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.2 mt -97.07 117.11 30.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.754 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 123' ' ' LEU . 46.1 mt -93.36 106.33 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.0 m -107.01 136.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.041 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' HA ' HG11 ' A' ' 25' ' ' VAL . 31.6 p90 -145.01 156.34 43.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 176.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -106.65 139.43 41.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.754 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -72.48 -6.39 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.707 -178.029 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.526 ' CG2' HD22 ' A' ' 132' ' ' LEU . 5.7 p -87.56 -39.16 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.04 0.448 . . . . 0.0 110.397 173.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.8 99.93 11.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -65.55 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.7 -52.81 63.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.728 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.9 p -62.78 -30.6 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.3 -46.31 80.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -68.83 -33.67 74.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.8 63.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.457 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 p -55.38 -44.67 76.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 111.536 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -32.87 70.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.743 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -68.44 -39.36 81.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.386 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.524 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.1 m-85 -58.31 -46.92 85.22 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.25 -49.56 71.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.048 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.92 -35.32 80.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.736 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.5 mt -64.03 -45.91 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.056 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.8 mp -67.51 -6.92 21.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -78.41 -33.08 48.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.03 0.443 . . . . 0.0 110.447 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 115' ' ' LYS . 31.2 m -114.55 -6.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.176 -177.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 18.0 mmmt -134.27 116.19 15.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.715 -176.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.81 -67.07 0.4 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.792 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.43 37.5 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.181 0.515 . . . . 0.0 110.779 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.2 -154.39 0.12 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.306 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.05 -80.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.5 mmtm -159.55 125.06 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.7 mt -81.0 109.35 13.17 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-O 120.807 0.337 . . . . 0.0 110.708 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -94.71 119.07 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 123.358 2.706 . . . . 0.0 112.565 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 91' ' ' LEU . 5.4 mp -113.8 144.8 42.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.222 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.794 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.2 tp -136.2 119.79 17.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.776 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 124' ' ' LEU . 12.0 t -84.57 116.64 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.156 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' A' ' 92' ' ' VAL . 33.7 t -108.96 110.6 32.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.489 -176.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.07 111.18 3.63 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.576 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 5.0 p30 -106.77 168.75 8.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.555 0.217 . . . . 0.0 111.1 -176.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 132' ' ' LEU . 2.5 mptm? 72.83 31.55 1.56 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.958 0.786 . . . . 0.0 111.828 177.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.2 m -65.08 0.1 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.975 -0.453 . . . . 0.0 111.136 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 129' ' ' LYS . 5.1 p-10 -90.17 -0.12 57.46 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.74 -42.97 10.39 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.596 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 57.52 -77.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.117 0.967 . . . . 0.0 113.223 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.96 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.66 12.41 14.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.727 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.754 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 50.6 ttp180 -65.63 113.94 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 0.0 110.686 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -91.7 -30.43 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.406 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.1 118.57 45.86 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.98 121.26 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 111.418 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -68.08 -15.92 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -173.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.33 -46.93 86.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.591 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.78 -27.47 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.424 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -65.35 -30.3 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.304 0.573 . . . . 0.0 110.593 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 73.5 mtp180 -71.74 -36.95 70.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.285 178.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 23.2 t -78.76 -22.52 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.12 0.962 . . . . 0.0 108.698 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.442 ' HB2' ' HE2' ' A' ' 146' ' ' LYS . 13.8 tppt? -65.46 -46.46 79.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.763 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -62.36 -36.96 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.084 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 145' ' ' SER . 34.3 tt0 -57.78 -38.78 76.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.334 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.07 -35.45 80.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.115 0.483 . . . . 0.0 110.774 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -88.81 -8.35 54.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.753 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.51 56.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.238 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.601 HG23 ' HB1' ' A' ' 147' ' ' ALA . 30.1 m -116.54 -177.24 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.0 110.963 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.794 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.8 pm0 -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.685 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -121.31 124.16 43.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.935 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 28.4 t -125.0 133.5 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -87.98 139.59 30.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.343 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 31.1 p -139.23 131.96 29.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.312 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' ' 163' ' ' ALA . 6.7 p -121.66 118.1 28.33 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.26 -10.1 59.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -64.11 -44.82 91.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.978 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.1 t -114.69 3.15 14.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 63.13 81.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.51 0.671 . . . . 0.0 110.643 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.458 ' HB3' ' H ' ' A' ' 158' ' ' SER . . . -90.57 -143.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.962 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -64.13 45.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.919 0.888 . . . . 0.0 112.21 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 168' ' ' VAL . 60.4 t -68.31 -50.34 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 110.183 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.37 -29.38 70.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.902 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.33 -50.52 71.22 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.86 -175.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -59.91 -25.33 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -75.41 -52.17 11.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.519 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 70.6 m-85 -66.14 -43.14 87.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.16 -49.04 79.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.792 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.4 tp -63.8 -37.81 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.201 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 176' ' ' ILE . 68.9 mtm -63.4 -30.59 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.259 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.751 ' HD3' HD21 ' A' ' 57' ' ' LEU . 8.7 mmm180 -72.76 -37.97 67.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.54 ' HA ' ' OE1' ' A' ' 175' ' ' GLU . 3.9 mm-40 -62.01 -35.91 79.94 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.668 174.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.639 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 78.8 mt -57.41 -48.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.108 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -67.48 -31.95 72.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.526 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 17.4 m -57.9 -41.4 82.51 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.299 0.571 . . . . 0.0 109.789 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 43.1 mmtt -73.88 -34.39 64.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.551 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 26.1 mmmt -72.7 -41.94 64.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.434 -176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.409 -179.756 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.576 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.2 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.51 -27.34 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.94 14.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.313 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.67 74.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.08 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.603 ' O ' HG13 ' B' ' 402' ' ' ILE . 48.7 mm -60.38 -55.26 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.576 0.227 . . . . 0.0 110.543 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.31 -41.72 94.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.603 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.9 -39.77 93.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.709 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' B' ' 439' ' ' LEU . 5.1 tp10 -72.13 -40.15 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.641 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.603 HG13 ' O ' ' B' ' 398' ' ' ILE . 69.9 mt -53.87 -47.13 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.39 -46.29 76.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.09 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 43.7 ttm105 -63.08 -42.49 99.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.881 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.531 ' HB2' HD23 ' B' ' 436' ' ' LEU . 85.0 mm-40 -71.97 -35.99 69.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.91 -43.18 98.92 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.29 -49.45 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' B' ' 432' ' ' VAL . 92.5 mt -60.4 -44.43 95.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.64 -45.66 91.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.466 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.96 -49.8 72.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.764 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.9 t -61.85 -56.0 23.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.795 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.444 ' O ' HD13 ' B' ' 416' ' ' LEU . 1.9 mm? -54.89 -33.11 61.67 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.461 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.567 ' CE1' ' HB1' ' A' ' 48' ' ' ALA . 4.6 m-70 -73.13 -49.18 29.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.635 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -76.79 -38.37 54.12 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.605 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.9 -46.14 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.007 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.8 mp -70.66 -34.65 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 111.239 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.584 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 3.0 mt-30 -65.94 -10.58 40.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.8 1.67 66.97 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.007 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.24 18.01 35.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.362 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.38 117.53 54.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -135.16 147.21 49.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.666 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.9 t70 -148.34 161.49 41.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -27.47 68.56 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.733 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -66.03 -38.02 87.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.807 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.666 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 52.5 mmtt -68.47 -52.06 36.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.632 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.5 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.15 -43.39 91.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.3 mmt180 -66.19 -34.86 78.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.199 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.31 -50.98 61.79 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.727 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.705 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 8.1 m95 -67.19 -30.78 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.412 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.812 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 40.4 tt0 -64.33 -55.13 23.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.306 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' B' ' 408' ' ' LEU . 2.3 p -62.97 -34.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.108 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.5 -50.94 71.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.622 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.812 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 1.0 OUTLIER -64.52 -29.95 70.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.636 0.255 . . . . 0.0 110.445 -177.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -75.75 -38.94 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.985 0.421 . . . . 0.0 110.294 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -61.73 -45.5 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.8 t -73.2 -30.07 63.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.027 0.441 . . . . 0.0 109.949 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.67 -39.25 80.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.003 174.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.588 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.1 OUTLIER -58.2 -43.48 87.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.671 176.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.99 -33.45 75.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.695 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -67.58 -42.53 82.39 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.581 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.6 mmmm -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.286 176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' B' ' 398' ' ' ILE . 50.0 tp -62.12 -46.49 88.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 0.0 110.564 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.04 -2.84 56.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.67 -32.36 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.156 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.616 -178.499 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.728 0.299 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.5 -18.52 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.873 -175.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.95 121.53 33.62 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.482 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -129.39 134.05 47.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.781 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.663 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 11.1 mmpt? -96.74 106.82 19.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.25 108.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.158 0.504 . . . . 0.0 110.5 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.17 122.25 65.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.694 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 ttm -89.57 124.23 34.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HZ ' ' A' ' 83' ' ' PHE . 19.0 t -98.5 128.72 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.979 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.64 157.6 10.08 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t -97.14 -90.51 0.26 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.491 0.645 . . . . 0.0 111.003 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.51 -47.84 0.44 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.37 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.49 38.45 1.22 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.442 -0.409 . . . . 0.0 113.016 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.597 ' HB ' HG13 ' A' ' 92' ' ' VAL . 35.8 m -126.88 -19.78 2.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.621 0.248 . . . . 0.0 111.102 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.17 77.37 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.432 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 23.5 pttm -79.1 -21.72 46.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 32' ' ' LEU . 72.4 m -68.61 -34.05 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.018 0.437 . . . . 0.0 110.239 175.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.18 -34.07 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.27 -41.1 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.625 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.6 p -68.77 -32.53 72.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.18 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 3.7 mm? -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.307 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -60.65 -54.97 38.88 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.171 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -68.98 -24.33 64.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.9 -177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttm -83.1 -52.07 6.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.738 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -120.08 24.67 10.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t70 75.63 -56.55 0.6 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.827 0.704 . . . . 0.0 112.384 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -102.76 -173.97 2.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.326 0.584 . . . . 0.0 112.206 -172.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -75.23 138.63 42.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.807 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.623 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.1 p -56.46 130.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.628 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.23 -72.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.737 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.72 87.66 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.298 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -150.5 114.19 4.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.103 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.573 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.7 tp10 -102.56 -67.82 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.549 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 37.1 Cg_exo -11.44 -79.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 125.121 3.881 . . . . 0.0 115.119 -161.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p 51.64 11.43 0.13 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -88.5 -56.58 3.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.307 0.575 . . . . 0.0 111.444 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB1' HD12 ' B' ' 409' ' ' LEU . . . -124.24 -10.42 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.972 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -98.73 118.11 34.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 p -133.79 163.0 30.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 80.6 t80 -139.24 130.67 27.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 2.4 ptp180 -82.51 129.7 34.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.473 0.654 . . . . 0.0 111.177 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -101.15 131.43 47.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.252 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 38.1 ttmt -101.85 130.64 48.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 110.351 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.0 m -135.73 166.95 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.4 p -145.7 118.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.663 0.744 . . . . 0.0 111.295 174.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.87 106.09 11.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.063 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.84 67.6 0.61 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.186 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.42 -78.29 0.25 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 115.73 166.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 pt-20 -84.54 131.34 34.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.955 0.377 . . . . 0.0 111.776 -166.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.84 118.24 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 2.1 t -105.65 136.7 38.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 -169.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -113.66 117.9 32.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.104 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.469 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 11.5 tt -121.43 121.54 64.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 110.723 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 31.7 m-20 -97.34 125.31 41.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.9 mm -107.74 118.87 56.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.291 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.79 109.87 19.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -77.6 106.31 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.58 ' HB ' ' HA ' ' A' ' 79' ' ' ARG . 17.2 p -73.81 108.71 6.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.449 -173.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 124.03 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.12 72.19 0.47 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.36 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 75' ' ' TYR . 1.6 pt? -128.34 -175.18 3.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.6 -30.63 70.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.75 -81.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.732 0.777 . . . . 0.0 110.608 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 72' ' ' LEU . 86.7 m-85 -82.26 91.12 6.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.45 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.85 -32.76 10.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.479 0.657 . . . . 0.0 109.568 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.772 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.512 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.3 mt -69.75 -22.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.647 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 69' ' ' THR . 34.6 ttp180 -91.86 -65.11 1.03 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.137 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -58.96 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' B' ' 416' ' ' LEU . 11.6 m120 -57.58 -33.73 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.1 m-85 -68.4 -21.57 64.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' HZ ' HG13 ' A' ' 20' ' ' VAL . 14.9 m-30 -64.54 -21.54 66.72 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.618 ' HB3' ' HG2' ' B' ' 426' ' ' GLU . 3.0 tmm_? -59.75 -50.03 75.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.89 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -89.37 20.98 3.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.918 0.389 . . . . 0.0 111.727 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.13 -170.7 44.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.648 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 4.2 tp10 -157.92 -67.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 135.37 12.39 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.5 m-85 -130.47 134.32 46.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 0.0 111.595 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 124' ' ' LEU . 93.3 mt -103.22 119.64 39.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.657 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.96 107.17 19.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 25' ' ' VAL . 6.5 p -107.78 141.3 23.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.941 0.4 . . . . 0.0 111.048 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -153.54 168.74 25.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.444 175.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.638 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 34.2 t -106.14 140.38 39.2 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 130' ' ' SER . 0.2 OUTLIER -78.59 6.35 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.447 0.641 . . . . 0.0 110.855 -178.131 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.875 HG21 HD22 ' A' ' 132' ' ' LEU . 75.7 p -119.88 -22.43 6.78 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.606 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.638 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 1.2 mp0 -94.64 95.28 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.674 175.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.83 -24.52 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.488 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -55.81 -50.22 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.516 0.674 . . . . 0.0 110.027 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -67.28 -35.18 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.351 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.08 -40.32 95.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -70.76 -28.79 64.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.395 0.617 . . . . 0.0 110.648 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.83 -15.29 59.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.224 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -45.6 67.04 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 0.0 111.611 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.41 92.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.52 -38.94 89.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.2 m-85 -57.34 -51.6 68.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 110.248 177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 108' ' ' ARG . 37.5 ttt180 -66.03 -44.23 85.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.744 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.39 -33.89 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.67 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.0 mt -64.64 -48.38 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.315 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -68.75 -13.18 62.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.766 0.317 . . . . 0.0 111.087 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -78.74 -31.72 46.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 115' ' ' LYS . 33.8 m -105.25 -25.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.754 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -98.32 -94.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 64.18 -71.22 0.07 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.59 34.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 111.228 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 13.6 mm-40 -98.1 -168.57 1.68 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.1 -177.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -79.36 -72.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.589 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 75.3 mmtt -142.75 140.54 31.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.6 mt -109.05 97.22 23.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.787 0.327 . . . . 0.0 110.225 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 17.0 Cg_exo -67.2 121.08 8.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.068 2.512 . . . . 0.0 111.474 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.6 mt -127.29 124.19 38.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.973 -176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.7 tp -126.92 118.68 25.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.907 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.59 127.47 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.928 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.38 110.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.585 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.83 114.39 4.26 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.57 HD22 HG23 ' A' ' 92' ' ' VAL . 12.7 m-80 -107.54 158.03 17.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.3 tttm 68.55 56.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.892 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' HD11 ' A' ' 95' ' ' ILE . 16.3 m -76.28 4.34 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.008 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -12.84 61.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.875 HD22 HG21 ' A' ' 96' ' ' THR . 7.0 mp -70.17 -46.14 65.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 62.33 -77.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.016 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.72 -21.16 63.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.175 0.512 . . . . 0.0 110.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.833 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.8 mtp180 -94.67 21.86 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 96' ' ' THR . 35.3 ttm180 -59.44 113.17 2.05 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.454 ' H ' ' HA ' ' A' ' 96' ' ' THR . 25.8 tp60 -91.52 -35.74 14.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.194 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.32 126.61 28.09 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.097 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.95 116.64 3.4 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.112 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -73.17 -13.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.171 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 1.9 mp0 -57.11 -48.56 78.33 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.478 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.84 -24.45 52.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.88 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.199 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -64.73 -36.24 83.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.366 0.603 . . . . 0.0 109.546 174.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.461 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 22.9 t -66.51 -18.07 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.967 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 7.2 mmpt? -72.33 -40.99 67.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 110.035 175.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -63.84 -40.92 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.458 0.647 . . . . 0.0 109.464 174.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 27.5 tt0 -58.68 -48.7 80.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.457 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.3 -42.91 92.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.683 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -92.59 -5.56 51.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.485 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.39 41.41 20.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.039 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.62 -170.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.53 0.205 . . . . 0.0 110.591 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.791 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -106.47 159.55 16.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.881 177.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 66.3 t80 -129.18 125.41 36.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.649 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.31 121.67 56.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.384 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.08 134.93 33.79 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 40.9 p -138.34 158.16 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.955 0.407 . . . . 0.0 111.548 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -138.49 135.22 34.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.15 3.61 20.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -82.72 -49.6 9.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.5 p -92.96 -18.62 22.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.417 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 65.25 20.81 11.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.438 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.57 122.76 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 90.3 m-20 70.39 0.55 3.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.285 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 168' ' ' VAL . 98.1 t -64.92 -49.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.43 -29.06 69.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -57.08 -50.08 73.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.331 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.1 m -58.74 -27.74 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.95 -49.44 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.017 0.437 . . . . 0.0 110.383 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.98 -47.21 78.36 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.281 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -51.56 69.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 176' ' ' ILE . 28.8 tp -60.48 -42.29 95.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.8 mtm -61.98 -40.08 94.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.113 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HD3' ' HD2' ' A' ' 177' ' ' ARG . 7.0 mmt180 -65.03 -40.86 95.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.793 178.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.65 -42.7 88.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 172' ' ' LEU . 78.5 mt -58.47 -34.84 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.472 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HD2' ' HD3' ' A' ' 174' ' ' ARG . 29.3 mtp-105 -60.51 -41.43 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 110.11 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.9 m -63.57 -32.08 73.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.449 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 2.5 mptp? -69.42 -40.78 77.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.719 0.295 . . . . 0.0 110.702 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -71.36 -35.17 71.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 175.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.445 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.449 ' HB3' ' HE3' ' B' ' 399' ' ' LYS . 85.9 mt-30 -63.23 -32.48 73.89 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.44 72.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.13 95.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.054 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 394' ' ' THR . 47.6 mm -61.58 -51.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.518 0.199 . . . . 0.0 110.547 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 98.9 mttt -61.76 -38.79 89.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.454 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.937 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.646 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 17.1 tp10 -67.94 -37.54 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 439' ' ' LEU . 73.8 mt -53.91 -50.41 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.592 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.0 mtp180 -54.62 -44.01 72.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.255 0.55 . . . . 0.0 110.614 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.646 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 57.8 ttt180 -63.82 -48.71 75.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 80.0 mm-40 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.528 ' HG3' HD21 ' B' ' 436' ' ' LEU . 46.3 mt-10 -63.66 -38.1 89.83 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.62 -48.26 72.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.62 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 87.3 mt -58.56 -47.4 84.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.636 HD23 HG13 ' B' ' 432' ' ' VAL . 2.9 tm? -68.01 -37.14 81.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.144 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.21 -33.1 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.835 0.35 . . . . 0.0 110.817 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.3 t -60.15 -51.33 70.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.264 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -55.39 -38.09 68.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 174.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.15 -39.81 93.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.828 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -76.56 -38.76 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.515 0.198 . . . . 0.0 111.142 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.78 -42.86 80.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.244 0.545 . . . . 0.0 110.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 429' ' ' LEU . 86.7 mt -71.44 -30.6 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.144 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -65.47 -14.41 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.736 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.5 8.47 61.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.578 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.08 23.91 43.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.922 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.6 mt -121.74 141.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.497 ' HD3' HD21 ' A' ' 81' ' ' ASN . 20.9 pttp -152.42 146.58 25.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.312 0.577 . . . . 0.0 110.733 173.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 32.9 t70 -149.14 156.37 42.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.919 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.64 -33.96 66.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.951 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -31.4 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.021 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' B' ' 416' ' ' LEU . 33.8 mmtt -72.07 -55.62 7.04 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.846 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' B' ' 429' ' ' LEU . 6.7 mp0 -61.46 -42.46 98.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.437 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.37 -37.64 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.111 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.543 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 mmt180 -69.22 -33.4 73.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.414 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 416' ' ' LEU . 24.8 mt -55.54 -57.3 12.51 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.538 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.415 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 93.3 m95 -65.88 -30.73 71.37 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 123.162 0.289 . . . . 0.0 111.024 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.58 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 9.3 tp10 -66.37 -56.65 10.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.555 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -65.88 -33.64 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.435 0.636 . . . . 0.0 109.887 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -56.35 -52.14 65.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.889 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.58 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -64.83 -28.61 69.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.028 0.442 . . . . 0.0 110.288 -176.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' B' ' 432' ' ' VAL . 56.7 mt -69.29 -51.87 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.074 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' B' ' 406' ' ' GLU . 2.7 tm? -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.871 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.545 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.0 t -67.53 -34.06 76.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.69 -177.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.2 76.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.947 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.597 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.1 mp -63.99 -44.56 92.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.41 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -61.22 -34.1 74.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.183 0.515 . . . . 0.0 109.895 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -68.21 -45.07 74.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.423 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.0 mmmm -63.53 -28.65 70.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.478 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 48.9 tp -63.71 -42.24 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 110.067 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -82.69 -4.31 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.9 tp10 -88.62 -38.0 15.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.164 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.836 -179.173 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--O 1.236 0.379 0 CA-C-O 120.655 0.264 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -102.68 4.95 38.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.251 0.548 . . . . 0.0 111.199 -174.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 tp -129.29 128.41 43.14 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.576 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 80.4 m-70 -135.52 139.52 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.47 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.729 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -129.21 106.86 9.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 173.198 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.0 131.59 57.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.977 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -107.06 124.85 63.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.534 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 55.3 ttm -95.89 126.44 41.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 111' ' ' ILE . 25.9 m -95.39 169.3 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.923 0.392 . . . . 0.0 111.094 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.87 27.88 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.905 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.4 m -133.08 -61.75 0.82 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.922 0.391 . . . . 0.0 110.298 -176.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.74 -131.22 7.26 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.955 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.44 68.76 0.27 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.131 -175.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.607 ' HA ' ' OG ' ' A' ' 94' ' ' SER . 27.5 m -83.31 5.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.157 0.504 . . . . 0.0 111.066 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.15 18.89 76.92 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.681 -0.69 . . . . 0.0 113.699 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 40.6 pttt -66.88 -41.71 86.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -173.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 m -62.83 -18.38 62.73 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.737 0.303 . . . . 0.0 111.325 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.41 65.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 111.429 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.91 -41.17 83.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.336 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 23.7 p -67.03 -37.35 83.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 HG22 ' A' ' 40' ' ' VAL . 19.8 tp -65.83 -40.33 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.605 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -75.13 -6.42 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.937 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -67.99 -41.37 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.975 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.621 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 1.8 pmm? -119.65 -32.21 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.84 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.617 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 82.4 m-85 -86.27 -32.42 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.151 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 71.39 -0.48 3.1 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.292 0.568 . . . . 0.0 111.495 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.617 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 12.4 pt-20 -99.02 157.81 16.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 148.27 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HD22 ' A' ' 32' ' ' LEU . 36.5 t -71.57 101.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 0.0 110.97 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.52 -32.84 6.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.712 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -130.89 83.62 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' HB3' HG13 ' A' ' 40' ' ' VAL . 4.9 t80 -176.15 91.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 4.0 mp0 -89.64 -59.27 0.24 Allowed Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.382 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 52.0 Cg_endo -67.46 152.65 78.4 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.146 1.897 . . . . 0.0 112.926 -175.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -156.88 30.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.579 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 78' ' ' ILE . 54.9 mtmt -85.7 -48.22 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.601 -176.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -123.34 12.61 9.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.777 0.799 . . . . 0.0 109.465 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.7 m-20 -90.46 84.73 6.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.491 -174.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 p -97.56 155.34 17.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.782 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -144.86 143.2 30.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.132 -178.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 31.7 ttm180 -125.21 150.11 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -172.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 35' ' ' MET . 53.9 tptt -136.56 138.21 41.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.57 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 36.2 ttmt -98.56 124.34 43.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.8 m -133.92 147.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -123.36 123.95 68.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.22 0.533 . . . . 0.0 110.558 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.91 95.99 5.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.075 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.59 22.91 3.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.66 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.18 -111.0 0.27 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.536 -1.316 . . . . 0.0 114.15 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 pt-20 -104.35 159.14 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -175.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 69.4 mt-10 -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 13' ' ' ALA . 12.6 t -106.45 142.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -112.32 117.73 33.29 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.142 0.496 . . . . 0.0 110.708 -176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.656 HD12 ' SD ' ' A' ' 173' ' ' MET . 14.6 tt -105.56 124.97 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.072 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.729 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 30.3 t70 -109.75 121.36 45.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.304 -175.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.7 mm -107.82 127.07 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.12 0.486 . . . . 0.0 111.96 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.4 tp -123.4 134.9 53.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.444 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HB3' HG22 ' A' ' 46' ' ' THR . 42.3 t0 -112.66 146.45 38.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 p -98.87 154.5 17.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.01 122.24 42.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.818 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.905 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -85.47 63.76 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.856 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -130.93 174.78 9.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 -177.167 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -103.27 3.41 35.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.032 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.6 m-20 -83.58 -82.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 97.0 m-85 -75.84 71.21 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.229 -177.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -26.67 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.18 0.514 . . . . 0.0 110.634 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -65.45 -19.04 65.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 1.025 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 81.9 mt -98.95 -34.49 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -83.28 -66.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.417 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.83 -49.31 16.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.656 -174.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.694 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 15.0 m120 -76.53 -17.52 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.828 -166.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 1.025 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.3 m-85 -84.67 -12.83 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.884 -0.51 . . . . 0.0 111.631 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -67.44 -16.91 64.48 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -61.95 -65.88 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.601 0.239 . . . . 0.0 111.605 -172.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.7 m -81.65 23.49 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.17 140.23 14.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.491 174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 176' ' ' ILE . 12.5 pt-20 -91.98 -37.0 13.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.683 0.241 . . . . 0.0 111.202 -175.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.18 153.25 20.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.053 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.6 m-85 -130.09 136.49 49.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 111.14 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 20' ' ' VAL . 89.7 mt -108.94 123.39 49.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.47 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.3 107.13 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.46 139.71 49.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.619 0.247 . . . . 0.0 110.719 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.423 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 32.1 p90 -150.31 161.71 41.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.173 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -90.86 138.98 31.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.677 176.165 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -0.97 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 111.498 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.768 HG23 HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -86.92 -26.29 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 174.02 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -97.17 101.03 12.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.088 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.4 -23.39 63.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.877 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.64 -41.59 79.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.638 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 50.1 m -64.86 -32.41 74.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 110.55 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 138' ' ' VAL . 58.1 t80 -64.48 -42.6 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.46 62.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.243 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.0 p -55.07 -44.72 75.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.099 0.476 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.41 -35.78 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.07 -50.28 74.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.275 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.6 m-85 -57.56 -48.86 78.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.944 177.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -55.41 -57.12 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.166 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.54 -27.17 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.895 -175.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.82 -35.06 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -65.43 -47.76 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.252 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.9 mp -70.22 -14.76 62.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.447 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -70.72 -29.88 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.174 0.511 . . . . 0.0 109.896 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' A' ' 115' ' ' LYS . 17.4 m -110.37 -5.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.615 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.908 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 7.6 mmmm -138.32 94.17 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.117 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.75 -36.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.31 3.64 34.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.422 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.669 ' HG3' ' CE ' ' A' ' 115' ' ' LYS . 5.4 mm-40 -78.81 175.36 10.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.575 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.616 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -68.48 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.834 -0.166 . . . . 0.0 111.228 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.616 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 42.1 mmtm -134.67 146.0 49.09 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.2 mt -120.73 91.63 47.41 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-O 121.037 0.446 . . . . 0.0 110.223 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.678 ' HG2' HG12 ' A' ' 176' ' ' ILE . 9.0 Cg_exo -72.23 134.6 23.26 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.132 2.555 . . . . 0.0 111.748 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 82.9 mt -129.32 137.04 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.862 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 3.2 tp -132.49 122.1 24.36 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.481 ' N ' HD12 ' A' ' 124' ' ' LEU . 17.8 t -92.28 123.9 44.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.86 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 36.6 t -117.99 125.62 74.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.373 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 123.12 7.02 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -120.82 167.43 12.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.084 0.442 . . . . 0.0 110.653 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.591 ' HE3' HD21 ' A' ' 132' ' ' LEU . 44.6 tptt 67.42 36.67 3.76 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.638 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -77.06 1.33 18.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.88 10.77 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.51 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.768 HD13 HG23 ' A' ' 96' ' ' THR . 12.8 mt -91.26 -41.37 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 50.73 -64.26 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.654 1.582 . . . . 0.0 114.601 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' LEU . 12.3 pt-20 -72.18 -25.9 61.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 -175.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.8 mtp180 -91.9 25.26 2.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.007 -177.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -66.28 112.45 3.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.802 0.335 . . . . 0.0 110.292 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.44 -20.8 13.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.931 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 101' ' ' PHE . 69.9 t -111.19 117.83 48.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.291 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 118.73 5.62 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.923 1.748 . . . . 0.0 109.645 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -61.16 -21.57 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.94 -174.38 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 23.2 mp0 -57.98 -40.68 81.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 110.06 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.06 -41.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.227 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -60.86 -47.91 84.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.718 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 22.8 mtm180 -61.73 -37.58 84.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.713 176.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -59.13 -44.28 92.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.543 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 10.3 mmpt? -62.05 -42.99 99.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.641 177.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.7 -48.62 80.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.054 0.454 . . . . 0.0 110.82 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.29 -38.34 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.646 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.214 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.37 -7.4 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.737 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.12 42.89 34.82 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.455 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -125.53 -176.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.734 0.302 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -101.6 154.42 18.88 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 69.4 t80 -132.04 126.25 33.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.1 131.03 68.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 0.0 110.572 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.67 127.49 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.068 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -137.91 165.02 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.826 -177.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.7 m -158.29 131.04 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.88 -5.85 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.919 0.39 . . . . 0.0 111.614 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 160' ' ' LYS . 50.7 tptt -88.22 -15.41 35.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.505 0.669 . . . . 0.0 109.874 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.5 p -113.85 -31.07 6.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 68.78 78.14 0.22 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.6 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.71 136.14 19.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.629 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.502 ' HB2' HG22 ' A' ' 157' ' ' THR . 93.3 m-20 65.8 12.7 8.52 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.76 0.663 . . . . 0.0 112.089 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.72 -47.31 77.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.868 0.366 . . . . 0.0 110.595 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.4 -24.55 54.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.366 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -57.62 -46.39 84.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.294 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.92 -34.31 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.936 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -69.98 -56.29 7.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.907 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -63.73 -31.75 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.45 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.63 -51.01 68.96 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.018 0.437 . . . . 0.0 110.611 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 122' ' ' PRO . 31.1 tp -68.0 -39.03 83.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.656 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.0 mtp -58.07 -31.29 66.93 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -44.18 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.362 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 12.1 mt-10 -60.08 -40.26 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.424 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.809 HD13 ' HG3' ' A' ' 87' ' ' GLU . 72.0 mt -58.49 -36.24 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.271 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 181' ' ' MET . 49.1 mtp85 -65.59 -45.99 81.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 21.8 m -61.3 -35.67 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.876 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.542 ' HG3' ' HG3' ' A' ' 120' ' ' LYS . 14.4 mptt -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.945 0.402 . . . . 0.0 110.51 174.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.2 mmmt -65.56 -31.85 73.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.028 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 62.7 mtt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.686 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.501 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.8 t . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 111.319 0.118 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 47.0 mt-30 -53.8 -33.89 57.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.644 0.259 . . . . 0.0 110.905 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -58.8 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.78 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.73 85.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.276 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 402' ' ' ILE . 33.8 mm -58.09 -50.45 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 110.646 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.0 mttt -58.55 -44.44 89.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.242 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 14.3 mm-40 -63.32 -40.32 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.395 . . . . 0.0 110.565 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 439' ' ' LEU . 36.9 tt0 -65.77 -46.14 79.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.133 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.37 -53.51 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.647 174.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 61.3 mtp180 -58.7 -34.09 70.91 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -62.98 -53.0 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -70.42 -27.7 64.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 52.7 mt-10 -61.28 -36.06 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.03 -46.88 64.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.6 mp -56.03 -48.76 75.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.54 0.209 . . . . 0.0 111.395 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.567 HD13 HG13 ' B' ' 432' ' ' VAL . 17.3 tp -62.17 -45.83 91.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -55.85 -43.18 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.897 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -60.76 -54.55 43.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.7 mm? -57.75 -40.02 78.72 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 20.5 m170 -60.29 -47.4 86.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.426 ' HA ' HE21 ' B' ' 417' ' ' GLN . 71.9 mtp180 -72.55 -50.71 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.05 -43.05 86.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 11.2 mp -73.33 -27.75 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.4 mt-30 -62.81 -26.24 68.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.972 0.415 . . . . 0.0 110.111 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.29 -6.17 60.82 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.725 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.73 36.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.523 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 37.6 mt -119.49 116.16 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.732 0.266 . . . . 0.0 110.306 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.694 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 55.3 pttt -144.04 168.3 20.32 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.403 0.62 . . . . 0.0 110.173 173.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.591 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 23.4 t70 -149.41 169.08 21.68 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.54 -29.02 69.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.177 0.444 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 -33.24 75.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.192 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' B' ' 422' ' ' ASP . 22.5 mmtp -73.18 -42.76 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.264 -176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 3.0 mm-40 -58.67 -48.13 82.12 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.898 -177.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.1 mm-40 -64.76 -48.39 74.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.622 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.544 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.0 mmt180 -64.7 -34.66 78.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.07 -50.64 70.44 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.775 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 56.1 m95 -68.11 -32.14 72.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.779 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.899 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 41.8 mt-10 -67.77 -56.22 10.06 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.474 -177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' B' ' 435' ' ' ILE . 4.1 p -64.73 -34.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.325 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.98 -51.99 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.279 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.899 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.6 ptt180 -67.28 -29.66 69.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' B' ' 432' ' ' VAL . 59.0 mt -69.85 -40.9 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.063 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' B' ' 406' ' ' GLU . 25.8 tp -64.88 -43.84 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.82 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -67.0 -35.52 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -69.77 -35.47 74.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.226 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.6 OUTLIER -65.23 -44.02 89.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.813 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.91 -30.4 70.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.266 0.555 . . . . 0.0 109.562 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.422 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 3.3 tmt_? -66.32 -42.82 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.184 172.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' B' ' 439' ' ' LEU . 56.3 mtpt -57.61 -34.59 69.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -62.58 -44.37 96.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.628 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.673 ' HA ' ' NE ' ' B' ' 444' ' ' ARG . 1.8 mmp_? -83.08 -10.98 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -79.52 -22.01 44.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.324 0.583 . . . . 0.0 109.724 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.446 178.497 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -103.06 8.37 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 111.983 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.908 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 tp -129.87 103.55 6.87 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.426 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -103.57 134.87 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.328 -172.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.908 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.46 114.4 28.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.096 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.56 117.61 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.846 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 67' ' ' LEU . 66.1 mt -107.14 130.97 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.014 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.457 ' HG2' HD12 ' A' ' 90' ' ' LEU . 83.4 mtp -107.13 112.75 25.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.888 0.375 . . . . 0.0 110.465 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.41 158.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.921 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -178.1 -161.23 25.85 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -93.07 8.39 40.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.979 0.419 . . . . 0.0 110.591 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.59 -47.62 1.02 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.156 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.1 -112.72 3.64 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t 72.76 -54.82 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.634 0.774 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.44 26.77 0.36 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.822 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.753 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.4 pttp -78.41 -18.57 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.953 0.377 . . . . 0.0 111.95 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 m -77.6 -30.22 52.33 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.026 0.441 . . . . 0.0 110.524 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.95 -42.43 66.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.279 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.0 -45.65 86.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.582 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 66' ' ' ILE . 36.6 p -68.23 -40.9 81.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.332 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.25 -40.33 95.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.44 -33.85 76.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.24 -35.61 68.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.486 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -93.88 -51.57 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -98.66 -4.86 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 66.04 16.27 10.39 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.6 158.61 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.553 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -85.38 151.1 24.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.891 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.76 101.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.789 0.804 . . . . 0.0 112.325 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.44 -37.42 10.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.561 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.92 95.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.177 175.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -165.39 105.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -90.16 -66.21 0.15 Allowed Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.43 171.454 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.537 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 85.1 Cg_exo -18.91 78.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.37 1.663 1 C-N-CA 125.417 4.078 . . . . 0.0 115.165 -165.463 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.403 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 17.0 p -148.88 56.42 1.02 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.516 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.759 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -84.64 -60.18 2.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.008 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.94 -4.26 6.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 162.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.38 118.45 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.827 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m -147.3 160.93 41.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.97 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -113.7 141.47 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.021 -174.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -90.74 134.06 34.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.203 0.525 . . . . 0.0 111.095 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -98.92 141.14 32.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.103 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -108.99 121.85 46.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.58 148.15 28.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.167 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -128.2 121.29 55.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.397 0.618 . . . . 0.0 110.616 176.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.96 96.87 6.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.394 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.9 75.6 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.913 0.758 . . . . 0.0 111.974 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.73 -117.92 0.9 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.571 -1.299 . . . . 0.0 114.429 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.7 pt-20 -99.0 151.2 21.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.489 0.185 . . . . 0.0 110.95 -171.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.03 115.99 5.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.894 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.572 HG13 ' HA ' ' A' ' 13' ' ' ALA . 17.2 t -106.44 138.76 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.878 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.267 0.556 . . . . 0.0 110.623 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.3 tt -121.35 118.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -90.61 129.34 36.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.664 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 31' ' ' THR . 29.2 mm -107.89 151.39 9.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 18' ' ' ILE . 29.0 mt -130.34 103.92 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.737 0.303 . . . . 0.0 110.763 171.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.6 t0 -86.37 85.66 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 171.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -71.19 139.01 50.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.323 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.41 ' HB1' HD22 ' A' ' 72' ' ' LEU . . . -64.77 107.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.074 173.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.4 77.67 1.81 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.395 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -146.34 168.45 21.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.48 -17.12 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.216 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 4.8 m-20 -78.3 -77.83 0.15 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.239 0.542 . . . . 0.0 111.581 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 72' ' ' LEU . 71.3 m-85 -78.23 61.27 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.842 -171.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -20.18 66.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.3 0.571 . . . . 0.0 110.103 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.06 -6.02 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.621 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.524 HG21 ' O ' ' A' ' 47' ' ' LYS . 72.0 mt -101.38 -35.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -91.12 -66.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.472 0.653 . . . . 0.0 110.402 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.9 -38.93 66.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.557 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.805 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 4.3 t-20 -77.08 -17.9 58.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.224 -173.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.9 m-85 -91.83 -14.11 30.29 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.403 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.5 m-30 -58.58 -18.73 32.31 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.488 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 17.1 mmt180 -50.98 -68.89 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -86.87 32.77 0.66 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.067 0.46 . . . . 0.0 110.958 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.94 130.23 10.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.548 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 176' ' ' ILE . 10.2 mm-40 -91.15 -81.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.775 0.43 . . . . 0.0 110.568 177.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.7 144.71 17.45 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.347 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.78 128.66 49.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.0 mt -98.83 113.6 25.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.8 176.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.593 HD12 HG22 ' A' ' 125' ' ' VAL . 33.1 mt -89.6 106.4 18.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 27' ' ' LYS . 21.8 m -110.6 122.92 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.51 0.671 . . . . 0.0 111.337 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -137.74 154.93 49.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.355 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.97 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 38.4 t -91.67 145.36 24.65 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.87 -0.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.365 -178.417 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 135' ' ' ARG . 20.3 p -98.81 -20.76 16.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.066 0.46 . . . . 0.0 110.708 172.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.97 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 21.2 mm-40 -91.22 91.04 8.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.05 0.452 . . . . 0.0 110.615 -174.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -66.54 -32.28 73.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.78 -48.05 83.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.961 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.2 m -64.27 -30.5 71.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.211 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CG ' HG21 ' A' ' 138' ' ' VAL . 86.9 t80 -66.52 -47.08 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.4 m -65.43 -28.19 69.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 0.0 110.731 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.99 -17.81 63.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.297 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.519 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 74.9 p -61.58 -33.04 73.18 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 111.332 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.32 83.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.851 0.358 . . . . 0.0 110.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.94 -37.44 72.87 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.887 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.3 m-85 -57.11 -47.91 79.94 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.44 -53.75 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.516 ' HB3' ' NH2' ' A' ' 113' ' ' ARG . 49.1 mt-10 -64.94 -46.07 83.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.131 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.5 -36.78 81.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.652 0.263 . . . . 0.0 111.02 -174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.62 -44.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.819 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' A' ' 121' ' ' ILE . 9.6 mp -71.85 -26.94 62.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.628 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.516 ' NH2' ' HB3' ' A' ' 109' ' ' GLU . 24.9 ttm-85 -64.51 -24.36 67.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.93 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -110.57 2.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.251 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 52.8 mttm -126.38 -104.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.257 -176.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.07 5.44 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.42 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.39 21.76 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.291 0.567 . . . . 0.0 109.876 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 4.1 mm-40 -93.05 177.84 5.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.103 -172.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.32 -59.09 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 170.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.978 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 21.2 mmmt -157.91 110.36 2.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 112' ' ' LEU . 51.6 mt -72.55 107.02 2.55 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.165 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 30.2 Cg_endo -93.53 113.19 0.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.46 2.773 . . . . 0.0 112.351 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.76 121.91 44.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -107.73 113.49 26.79 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.593 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 t -83.9 116.31 27.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.806 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.503 ' HB ' HG12 ' A' ' 92' ' ' VAL . 50.1 t -117.3 116.79 53.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.016 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 108.56 3.57 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.12 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 129' ' ' LYS . 6.9 t30 -99.18 175.08 6.02 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 33.1 mmtp 65.6 24.87 11.68 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.569 0.543 . . . . 0.0 110.763 -175.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 t -62.13 -13.79 30.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.955 0.407 . . . . 0.0 110.697 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.53 -3.66 29.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.364 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.678 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.7 mt -77.48 -31.05 53.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 39.11 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.907 1.683 . . . . 0.0 115.208 -175.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' LEU . 8.8 mm-40 -82.52 -14.54 54.78 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.995 -0.441 . . . . 0.0 111.129 -171.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.68 -5.1 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.745 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -51.6 113.12 0.88 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.178 0.513 . . . . 0.0 110.825 -177.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -99.56 -27.2 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.192 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.4 p -98.5 123.49 50.01 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.289 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.76 112.79 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.424 2.083 . . . . 0.0 111.106 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.3 p -77.28 -13.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.65 -171.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.29 -47.73 66.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.1 -26.6 65.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 110.139 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 173.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtp180 -70.47 -42.07 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 175.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.7 t -55.89 -46.39 78.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.647 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.7 -34.92 73.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.589 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.02 98.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.213 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.43 -37.31 86.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.234 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.24 -39.62 78.38 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.138 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -82.61 -18.05 42.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.943 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.43 39.79 8.16 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.739 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.97 -174.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -112.63 156.56 22.51 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.988 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -127.89 126.29 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.015 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 23.4 t -133.47 132.93 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.498 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -86.47 137.76 32.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -128.06 140.92 51.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.018 0.437 . . . . 0.0 110.906 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.473 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 50.8 m -119.43 107.21 13.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.928 176.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.75 -9.05 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.029 0.442 . . . . 0.0 110.394 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.94 -31.31 64.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.3 t -145.89 11.99 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.497 ' O ' ' HD2' ' A' ' 162' ' ' ARG . 4.5 tmm_? 61.73 80.6 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.189 -174.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -124.6 120.11 30.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.717 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.76 7.17 6.12 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.13 0.894 . . . . 0.0 111.473 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.72 -48.78 79.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.497 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.72 -43.95 97.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.863 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 171' ' ' ASP . 2.5 tmmm? -56.2 -52.64 63.67 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.678 -172.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.98 -32.81 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -68.34 -46.81 69.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.736 0.303 . . . . 0.0 110.769 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.542 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 75.9 m-85 -69.34 -40.58 77.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.691 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.479 ' HB2' ' HD2' ' A' ' 167' ' ' LYS . 21.5 t70 -59.08 -51.42 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.0 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.78 -36.57 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.655 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.3 mtm -63.52 -29.69 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 30.9 mmm-85 -69.15 -40.17 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.08 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 29.0 mt-10 -64.13 -37.13 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.501 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.451 HG23 ' OE1' ' A' ' 87' ' ' GLU . 79.9 mt -56.26 -54.29 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.95 -35.81 77.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 41.4 m -73.55 -42.96 61.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.147 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.978 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -70.48 -33.42 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.8 -35.51 72.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.98 0.419 . . . . 0.0 109.872 175.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.047 0.451 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 96.7 mt-30 -59.44 -28.25 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.294 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.83 -49.86 75.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 0.0 110.073 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -68.22 -40.33 87.79 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.856 176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.614 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.31 -52.84 47.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.591 0.23 . . . . 0.0 110.958 177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.4 mttt -59.44 -40.8 87.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.83 -40.08 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.806 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.8 mt-10 -76.45 -30.43 57.35 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.665 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.765 HG12 ' HG ' ' B' ' 439' ' ' LEU . 62.5 mt -61.45 -53.3 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' B' ' 404' ' ' ARG . 0.0 OUTLIER -62.71 -28.62 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.681 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 40.0 ttm180 -62.44 -52.08 64.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.373 174.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.6 mm-40 -70.81 -32.69 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 71.7 mt-10 -61.31 -44.01 97.93 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.95 -45.83 80.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 412' ' ' LEU . 67.7 mt -59.7 -52.32 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 57.9 tp -64.9 -32.25 73.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.19 -45.16 94.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.39 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -61.13 -49.27 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.014 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.614 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.2 mm? -55.74 -35.74 66.51 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.436 175.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -72.48 -42.57 64.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.448 ' HA ' HE21 ' B' ' 417' ' ' GLN . 47.2 ttt180 -76.06 -53.58 8.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.676 -168.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.82 -37.31 79.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.359 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.607 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 9.1 mp -68.85 -27.32 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.364 -174.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' B' ' 414' ' ' ARG . 38.8 mt-30 -60.7 -27.21 67.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.318 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.4 13.1 42.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.252 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.37 3.05 87.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.036 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.1 mt -75.42 116.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -134.75 144.04 47.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.969 0.89 . . . . 0.0 112.24 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 17.1 t70 -149.89 171.73 16.31 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -33.36 68.98 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 118.746 0.703 . . . . 0.0 109.891 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.6 p -63.45 -37.34 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.516 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.647 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -69.61 -29.67 67.23 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.35 -174.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.647 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 0.9 OUTLIER -73.35 -49.39 27.6 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 109.899 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.4 mm-40 -65.81 -45.04 83.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.414 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.497 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.8 tpt180 -67.07 -32.39 73.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 2.0 mt -55.34 -51.02 68.12 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.357 0.41 . . . . 0.0 110.218 177.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' B' ' 433' ' ' GLN . 29.5 m95 -68.42 -42.71 78.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.793 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 53.7 mt-10 -58.22 -55.9 29.05 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 12.9 p -63.28 -34.07 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.8 tp60 -55.89 -51.09 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.919 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 14.3 mtp180 -64.85 -33.85 76.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -69.73 -50.08 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.817 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.574 HD11 ' HE2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.57 -41.57 81.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.5 t -71.81 -43.29 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.268 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.79 -34.38 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.279 0.561 . . . . 0.0 109.869 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.765 ' HG ' HG12 ' B' ' 402' ' ' ILE . 23.6 tp -70.12 -35.83 74.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.597 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.574 ' HE2' HD11 ' B' ' 436' ' ' LEU . 64.3 mttm -66.24 -35.51 80.6 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.291 0.567 . . . . 0.0 109.899 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -64.28 -41.74 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.507 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.1 mmmm -57.94 -32.92 68.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.152 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.28 -48.36 82.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.421 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -81.09 -3.01 50.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -99.3 -28.29 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.523 -177.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.28 -177.119 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 177' ' ' ARG . 91.2 mt . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.435 0.159 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.1 9.03 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.333 0.587 . . . . 0.0 111.09 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.52 127.69 41.29 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.43 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.76 152.24 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.377 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.856 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 1.8 tpmt? -128.18 131.66 48.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.918 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.75 137.3 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.927 0.394 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.5 mt -121.88 123.44 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.7 mmt -83.32 107.78 16.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.156 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.16 171.51 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.261 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.76 171.23 28.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.426 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -73.65 -57.68 3.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.235 0.541 . . . . 0.0 110.532 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -125.83 -61.28 0.16 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.935 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . 155.37 66.03 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.824 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -60.97 -40.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.59 56.81 0.33 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.694 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.935 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 10.6 mtpp -95.25 -74.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.768 0.318 . . . . 0.0 111.636 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' THR . 1.1 m -70.39 -16.01 62.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.696 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.09 -52.12 21.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.871 0.367 . . . . 0.0 110.654 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.69 -36.46 84.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.532 -177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 35' ' ' MET . 34.5 p -71.52 -41.31 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.473 -177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 40' ' ' VAL . 29.9 tp -62.35 -35.97 80.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.819 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 44.4 mt-30 -66.65 -33.17 75.06 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.173 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.26 -27.46 62.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.372 0.606 . . . . 0.0 110.353 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 31' ' ' THR . 80.9 mtp -79.59 -61.26 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.938 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -101.95 -3.31 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' CG ' HH12 ' A' ' 162' ' ' ARG . 3.2 t70 67.42 16.43 10.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.484 0.659 . . . . 0.0 110.92 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.63 171.64 8.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.231 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -92.99 144.4 25.29 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 32' ' ' LEU . 5.7 p -70.1 127.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.36 -66.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -140.74 110.56 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.048 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -147.53 115.12 6.36 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 35.6 tt0 -94.73 -65.58 0.11 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 87.5 Cg_exo -43.45 -92.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 123.417 2.745 . . . . 0.0 114.979 -163.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.895 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 7.8 p 53.02 21.79 2.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -86.11 -41.71 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.72 21.34 8.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.649 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.895 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.4 m-20 -82.63 77.62 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.535 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 49.8 m -92.1 147.15 23.16 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -140.57 126.29 19.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.497 . . . . 0.0 110.946 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -75.18 104.51 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -105.42 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.044 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -102.0 118.63 37.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.46 152.77 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.189 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -143.4 128.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.058 0.456 . . . . 0.0 110.84 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.97 96.11 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 35.42 75.0 0.06 Allowed 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.266 0.979 . . . . 0.0 112.488 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.22 -113.84 0.57 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.8 pt-20 -96.41 151.92 19.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.833 0.349 . . . . 0.0 111.571 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.99 112.42 12.4 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.12 142.69 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.192 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -113.17 121.29 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.554 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.49 136.22 61.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.856 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 13.9 t0 -118.15 136.4 53.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' SER . 69.9 mt -108.27 119.71 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.653 -171.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 20.0 tp -106.19 136.18 46.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.723 172.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -120.11 115.91 24.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 110.057 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.2 p -76.92 141.32 40.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.02 130.59 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.299 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.653 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.74 65.28 4.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.312 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.27 159.88 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.314 . . . . 0.0 111.049 -178.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.1 14.95 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.9 m-20 -90.52 -77.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.394 0.616 . . . . 0.0 111.24 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.523 ' H ' HD13 ' A' ' 72' ' ' LEU . 66.7 m-85 -76.49 75.26 3.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.366 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.68 -13.54 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.624 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.63 -15.95 63.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.073 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.695 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 42.6 mt -94.74 -27.35 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.647 ' HE ' ' HG2' ' A' ' 110' ' ' GLN . 45.6 ttt180 -92.37 -65.77 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.493 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.43 -48.55 26.92 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.313 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.624 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 24.1 m120 -67.91 -31.88 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.695 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.7 m-85 -82.18 -14.6 55.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.52 ' HB2' HG21 ' A' ' 114' ' ' VAL . 7.1 m-30 -67.4 -16.97 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -52.91 -61.01 2.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.972 0.415 . . . . 0.0 111.138 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 m -87.23 19.58 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.704 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.86 130.79 10.47 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.258 -0.973 . . . . 0.0 111.969 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 30.1 mt-10 -98.59 -70.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.74 132.0 10.95 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.962 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.9 m-85 -119.86 121.34 38.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.052 0.453 . . . . 0.0 111.019 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.8 mt -93.75 115.07 27.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.2 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 mt -92.88 106.27 18.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 126' ' ' VAL . 17.0 m -109.74 132.22 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.221 0.534 . . . . 0.0 112.047 -173.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.05 152.18 43.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.764 . . . . 0.0 108.956 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 t -101.15 143.3 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 -1.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.331 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.475 ' CG2' HD22 ' A' ' 132' ' ' LEU . 22.3 p -87.54 -25.87 23.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.196 173.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -112.19 102.08 10.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 101' ' ' PHE . 59.9 t-80 -74.7 -24.52 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.325 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.23 -47.04 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.9 m -67.69 -20.04 65.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.21 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 45.4 t80 -70.67 -47.5 59.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -64.96 -31.89 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.373 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.06 -15.31 63.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.574 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.521 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.0 p -59.03 -35.57 73.53 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.079 0.466 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -38.26 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.047 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.08 -43.48 92.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.1 m-85 -57.41 -48.07 80.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.333 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -55.9 -53.34 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.87 -32.93 73.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.438 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.647 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 7.0 tp-100 -68.61 -30.83 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.2 mt -75.12 -43.93 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.392 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.59 -21.99 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.663 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 13.4 ttt85 -51.99 -43.96 63.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.957 174.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 83' ' ' PHE . 11.6 m -99.15 -9.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 62.1 mttm -120.92 -99.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.909 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.39 -69.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.032 0.933 . . . . 0.0 112.594 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.9 22.1 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -170.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -85.65 -78.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.466 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -147.39 -95.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.024 -0.423 . . . . 0.0 111.225 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.603 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 75.4 mmtt -141.15 128.16 20.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.4 mt -104.83 99.32 18.27 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.373 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 14.9 Cg_exo -68.46 104.35 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.593 2.195 . . . . 0.0 111.703 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 89' ' ' PHE . 50.3 mt -100.44 143.01 31.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.485 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 153' ' ' GLN . 7.0 tp -139.62 119.3 13.19 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.029 0.442 . . . . 0.0 110.054 176.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.2 t -87.57 114.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.751 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.789 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.1 t -113.06 117.67 55.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.3 101.6 2.45 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.416 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 2.1 p-10 -89.49 146.6 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.4 0.619 . . . . 0.0 111.703 -175.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.597 ' HG2' HD23 ' A' ' 132' ' ' LEU . 77.1 tttt 60.36 73.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.73 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 p -89.8 7.19 38.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.432 0.634 . . . . 0.0 109.365 171.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.61 -19.55 63.64 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -71.76 -49.4 39.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.126 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.88 -71.53 0.09 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 112.765 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.876 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.6 pt-20 -56.54 -36.17 68.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -171.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.876 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 94.6 mtt180 -96.19 27.42 3.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.895 -169.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.664 HH11 ' HB ' ' A' ' 140' ' ' VAL . 14.4 ttm180 -69.44 112.42 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.405 . . . . 0.0 109.933 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -92.98 -26.31 17.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.067 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.31 117.89 56.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.002 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.663 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 38.0 Cg_exo -59.72 111.49 0.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.112 1.875 . . . . 0.0 109.584 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.664 ' HB ' HH11 ' A' ' 136' ' ' ARG . 2.9 p -67.47 -10.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -167.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.22 -30.13 69.97 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.298 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.8 pt-20 -75.23 -22.66 57.74 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.648 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -73.7 -41.96 61.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.08 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.5 mtp180 -63.75 -34.85 78.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.995 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.5 t -55.91 -45.46 78.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.625 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.2 mmtt -69.98 -36.19 75.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.588 0.233 . . . . 0.0 111.223 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.3 88.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.34 -32.85 70.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.83 -42.95 99.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.014 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -92.31 -13.4 30.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.52 37.23 12.35 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.576 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.7 m -119.67 179.12 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.498 0.189 . . . . 0.0 110.629 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.674 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.4 pt20 -99.4 158.16 15.92 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.531 176.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -127.47 125.86 41.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.36 126.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.577 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.24 132.66 33.83 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 128' ' ' ASN . 20.7 p -116.9 130.08 56.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.063 0.459 . . . . 0.0 111.134 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.6 m -105.57 114.38 28.51 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -88.03 -13.84 40.56 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.407 -173.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.68 -40.0 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.213 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.8 p -100.43 -8.47 23.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.103 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.49 HH12 ' CG ' ' A' ' 37' ' ' ASP . 61.4 mtm180 58.99 70.7 0.63 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.774 -173.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.6 122.36 41.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.504 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 73.96 9.3 4.72 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.988 0.805 . . . . 0.0 111.347 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.63 -55.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.47 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.0 -35.33 74.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.246 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -56.96 -53.54 56.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.514 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.01 -28.75 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.78 -48.84 23.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.1 m-85 -70.04 -45.6 66.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.459 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -46.7 82.08 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.283 0.365 . . . . 0.0 110.963 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 176' ' ' ILE . 48.0 tp -61.5 -46.05 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 59.2 mtm -61.66 -30.55 70.8 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.575 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 15.6 mmt180 -65.53 -50.17 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.934 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 16.2 mt-10 -61.1 -36.09 78.75 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.366 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.586 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.6 mt -55.47 -40.91 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.207 0.317 . . . . 0.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 12' ' ' LEU . 54.7 mtt180 -61.21 -44.46 97.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.088 0.47 . . . . 0.0 110.313 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.6 m -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.518 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 67.9 mmtt -67.11 -48.52 67.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.631 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 23.5 mtpp -67.53 -27.6 67.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.181 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.9 mtm . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.184 177.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.4 ' O ' HG12 ' B' ' 398' ' ' ILE . 24.0 m . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.28 -28.9 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.72 -55.61 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.2 -40.43 94.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.957 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.44 ' O ' HG13 ' B' ' 402' ' ' ILE . 36.3 mm -56.85 -52.03 60.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.67 0.271 . . . . 0.0 110.769 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.11 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.937 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -62.15 -39.49 92.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.68 -34.07 64.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.621 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.651 ' HA ' HD23 ' B' ' 439' ' ' LEU . 40.8 mt -59.47 -53.36 49.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.808 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -64.78 -29.65 70.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.368 . . . . 0.0 110.531 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 51.1 ttp180 -63.91 -46.02 86.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.221 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -71.9 -38.48 69.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -63.17 -34.08 76.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.988 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -72.94 -38.91 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.423 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.12 -43.5 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.13 -42.85 77.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.394 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 18.2 t -62.27 -55.17 30.97 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.4 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.3 mm? -54.51 -39.3 67.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.849 176.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.417 ' HD2' HD21 ' B' ' 429' ' ' LEU . 18.1 m170 -62.02 -44.56 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -77.11 -48.47 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -44.86 91.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.21 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -74.9 -26.48 59.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.237 -176.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.26 -25.21 67.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.92 -7.75 81.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.576 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 111.06 -17.35 27.07 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.862 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.651 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.1 mt -83.72 116.45 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -147.72 145.94 29.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.587 0.708 . . . . 0.0 110.343 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.2 t70 -129.98 161.28 31.29 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.6 mm? -60.82 -33.81 73.59 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.343 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.5 m -65.53 -32.11 73.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.56 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 59.7 mmtt -69.24 -45.97 68.47 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.006 -176.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.66 -38.62 91.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.241 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 31.5 mt-10 -66.17 -45.5 80.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.219 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.646 ' O ' HG23 ' B' ' 432' ' ' VAL . 25.1 tpt180 -65.97 -34.94 79.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.466 -177.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 429' ' ' LEU . 3.8 mt -57.24 -51.83 67.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.883 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.658 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 55.7 m95 -63.92 -30.98 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.91 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 23.4 mt-10 -63.32 -54.69 33.03 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.22 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 428' ' ' ARG . 9.9 t -58.22 -37.18 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 29.2 tp60 -57.27 -54.02 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.331 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.609 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.06 -25.73 62.76 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.873 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -68.1 -50.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -40.83 94.25 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.403 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.609 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.5 t -68.72 -38.46 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.772 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.81 -34.76 74.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.362 0.601 . . . . 0.0 109.82 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' B' ' 402' ' ' ILE . 5.3 tp -67.23 -39.62 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.027 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -65.27 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.084 0.468 . . . . 0.0 109.79 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.88 -41.64 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -59.97 -38.67 83.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.891 175.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.535 ' HB2' HD11 ' B' ' 402' ' ' ILE . 59.2 tp -62.43 -49.97 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.407 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -70.43 -9.55 56.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.32 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -91.15 -17.06 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.048 -178.368 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 81.6 mt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.551 0.215 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.7 6.53 47.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 tp -128.57 121.66 29.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.714 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -134.46 128.69 33.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.603 ' HD2' ' NH2' ' B' ' 434' ' ' ARG . 30.8 mmtp -109.66 120.19 41.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.97 132.06 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 0.0 110.762 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -119.77 122.06 67.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.962 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.4 ttm -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 91' ' ' LEU . 19.9 m -95.45 165.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 111.125 -173.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.83 121.24 0.86 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.644 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 1.5 p -70.47 -60.52 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.578 0.222 . . . . 0.0 111.21 -176.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.99 -48.21 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.95 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.596 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 159.94 -53.15 0.36 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.52 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 93' ' ' PHE . 24.4 m 44.33 30.28 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.12 12.24 60.37 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.596 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 60.7 pttt -65.43 -47.48 76.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.985 0.893 . . . . 0.0 112.237 -177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -63.01 -18.78 63.69 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.8 -39.47 66.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.7 0.286 . . . . 0.0 110.926 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 128' ' ' ASN . 89.6 mt -73.68 -41.17 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.447 -174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -61.62 -44.74 96.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' HG22 ' A' ' 40' ' ' VAL . 3.9 mm? -67.66 -26.7 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.96 HE22 ' HA ' ' A' ' 39' ' ' PHE . 73.5 mm-40 -61.84 -47.65 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.3 0.572 . . . . 0.0 109.815 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -71.82 -18.85 62.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.81 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.2 mtp -93.62 -62.41 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.85 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -104.48 -12.45 16.5 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 70.2 21.76 5.79 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 0.0 110.963 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.41 154.02 33.13 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.139 -0.351 . . . . 0.0 110.85 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.96 ' HA ' HE22 ' A' ' 33' ' ' GLN . 51.0 t80 -80.06 124.46 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 32' ' ' LEU . 13.8 t -54.23 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.951 0.782 . . . . 0.0 112.501 -165.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.11 -47.25 10.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.974 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.07 97.28 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.015 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -168.97 91.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.76 ' H ' ' HD3' ' A' ' 45' ' ' PRO . 4.6 mm-40 -118.93 -7.58 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -174.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.76 ' HD3' ' H ' ' A' ' 44' ' ' GLU . 3.4 Cg_exo -80.47 36.12 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 122.185 1.816 . . . . 0.0 113.056 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -87.22 58.44 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.0 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -86.06 -58.92 2.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -127.73 -36.0 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.616 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -55.14 116.41 2.78 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.78 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 p -153.85 150.71 28.7 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.464 -174.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.503 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 15.9 m-85 -124.7 148.37 48.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -92.0 146.44 23.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.436 0.636 . . . . 0.0 111.3 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.57 142.59 32.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.685 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 35.2 ttmt -106.77 118.12 35.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.224 174.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.0 m -129.94 157.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.068 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -144.05 129.27 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.381 0.61 . . . . 0.0 110.794 175.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.7 98.27 7.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.544 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 71.77 -39.1 0.44 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.061 0.85 . . . . 0.0 113.201 176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.19 -116.11 3.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.685 -0.769 . . . . 0.0 114.723 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 pt-20 -107.1 163.89 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.369 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 54' ' ' LYS . 62.8 mt-10 -63.43 122.48 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.38 0.609 . . . . 0.0 111.112 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.64 147.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.507 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.21 137.72 51.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.9 117.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.1 141.72 29.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.007 0.432 . . . . 0.0 110.562 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mm -108.38 122.59 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.274 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD22 ' CH2' ' B' ' 430' ' ' TRP . 43.7 tp -102.44 115.83 31.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.27 -35.45 68.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.265 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m 71.68 152.62 0.12 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.711 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.78 108.21 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.644 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -91.3 42.84 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.916 -169.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -119.15 179.18 4.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.051 0.425 . . . . 0.0 110.856 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.66 -29.1 21.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.753 -171.239 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -68.71 0.24 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.923 0.868 . . . . 0.0 109.976 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.444 ' HA ' ' CD ' ' B' ' 417' ' ' GLN . 70.0 m-85 -83.93 52.59 2.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.412 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.99 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.66 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.09 -28.14 69.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.305 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.802 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 3.5 mt -86.91 -23.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.293 0.568 . . . . 0.0 109.956 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -92.53 -65.37 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.677 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -76.89 -54.43 6.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 111.339 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 54.5 m-20 -69.11 -38.56 78.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.467 -169.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.802 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.5 m-85 -67.39 -22.53 65.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.626 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.9 m-30 -72.05 -6.14 40.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.464 HH21 ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -59.93 -65.32 0.7 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -178.596 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.537 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 1.4 t -89.09 30.85 0.91 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 111.403 -171.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.13 163.91 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 62.8 mt-10 -115.53 -75.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.384 0.592 . . . . 0.0 110.462 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.58 139.75 14.67 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.873 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -117.37 132.88 56.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.541 . . . . 0.0 111.46 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.9 mt -102.54 111.79 24.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 125' ' ' VAL . 24.9 mt -90.49 106.11 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.689 HG12 ' HB ' ' A' ' 126' ' ' VAL . 35.1 m -113.14 146.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.999 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' HG21 ' A' ' 25' ' ' VAL . 47.2 p90 -156.24 145.59 20.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 176.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 m -77.15 130.87 37.9 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.99 3.34 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.119 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.499 ' CG2' HD13 ' A' ' 132' ' ' LEU . 15.3 p -90.85 -26.91 19.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.212 0.529 . . . . 0.0 110.537 171.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -96.69 94.19 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.108 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.11 -24.59 65.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.9 -46.08 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.904 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -68.53 -25.07 64.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 73.8 t80 -69.56 -46.26 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.216 176.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.3 m -64.8 -27.83 69.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.325 0.583 . . . . 0.0 110.331 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.96 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.131 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 49.4 p -61.88 -33.4 74.13 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.613 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.865 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.0 tp10 -61.52 -41.32 97.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.054 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.0 m-85 -58.49 -49.73 76.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.6 -48.38 77.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.817 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.61 -28.47 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.657 0.265 . . . . 0.0 111.019 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -65.19 -41.88 94.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 109.848 175.163 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 107' ' ' PHE . 72.7 mt -68.71 -43.23 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.34 -18.27 65.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.872 0.368 . . . . 0.0 110.611 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 41.0 ttt85 -75.79 -47.12 27.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.032 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 83' ' ' PHE . 24.9 m -84.76 -19.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.091 -174.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -108.25 -81.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.686 0.279 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.77 -60.96 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.095 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.47 77.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.059 0.457 . . . . 0.0 111.763 -171.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.51 -165.83 2.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.169 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.61 -86.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -136.44 144.35 44.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.899 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mt -120.75 98.79 47.72 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.473 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.4 Cg_endo -86.94 131.44 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.346 2.698 . . . . 0.0 112.684 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.31 122.67 36.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.31 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.9 tp -111.58 115.64 29.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.57 HG22 HD12 ' A' ' 91' ' ' LEU . 11.1 t -84.06 117.15 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.911 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.689 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -118.08 117.84 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.838 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.437 ' HA3' ' OE2' ' A' ' 156' ' ' GLU . . . -79.49 127.55 8.05 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.482 HD22 HD11 ' A' ' 30' ' ' LEU . 17.4 t-20 -119.43 163.77 16.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.941 0.371 . . . . 0.0 110.5 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 72.9 mmtt 70.24 22.0 5.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.579 0.549 . . . . 0.0 110.398 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.0 m -63.18 -1.06 0.89 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.399 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.95 -13.49 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.348 0.594 . . . . 0.0 109.736 171.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.0 mt -89.76 54.26 2.81 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.296 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.63 -26.87 68.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.75 0.309 . . . . 0.0 111.591 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.48 0.28 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.986 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.4 mtp180 -124.21 11.7 8.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.741 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.56 113.24 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.995 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.58 -27.69 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.455 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 10.4 p -101.97 121.1 51.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.822 177.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 15.7 Cg_exo -68.23 124.17 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.555 2.17 . . . . 0.0 112.126 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.497 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.9 OUTLIER -50.68 -29.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.711 175.397 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.76 -54.52 45.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.8 -29.06 65.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.834 0.35 . . . . 0.0 110.475 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -66.01 -49.41 67.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -65.28 -34.1 77.56 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.567 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -54.99 -48.39 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.338 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -63.16 -39.99 96.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.72 -45.22 95.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.72 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.48 -37.66 88.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.578 0.704 . . . . 0.0 109.838 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.37 -42.78 99.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -92.24 -3.4 55.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.51 44.38 50.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.352 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.61 -175.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.643 0.259 . . . . 0.0 110.906 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -104.44 141.01 37.1 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.858 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.516 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 81.9 t80 -116.54 114.41 24.12 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.3 135.76 63.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.437 ' OE2' ' HA3' ' A' ' 127' ' ' GLY . 23.3 mm-40 -85.37 133.17 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.5 p -125.05 128.53 48.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.638 0.733 . . . . 0.0 111.222 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.4 m -98.51 136.28 38.85 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -109.09 -21.04 12.79 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.793 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -84.18 -39.92 18.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.4 p -90.82 -18.15 25.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 64.33 86.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.996 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.99 134.01 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.235 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 66.38 13.37 9.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.653 0.781 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.1 t -68.09 -53.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.787 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.54 -33.98 77.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.269 0.557 . . . . 0.0 110.16 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.64 -52.62 59.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.023 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.2 m -61.98 -27.43 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -74.91 -47.28 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.657 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.4 -43.17 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -42.81 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 111.381 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -63.76 -42.4 97.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.251 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.8 mtm -64.91 -30.88 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 13.0 mmt180 -64.47 -42.98 95.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.059 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 mt-10 -61.44 -41.05 96.58 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.769 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.75 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 63.3 mt -58.33 -26.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.917 0.389 . . . . 0.0 110.796 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.555 ' NH1' ' HB3' ' A' ' 12' ' ' LEU . 32.3 mmt180 -62.76 -48.97 76.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -63.43 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.75 ' HG2' ' HA ' ' A' ' 176' ' ' ILE . 38.9 mmtt -64.64 -46.85 80.76 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.5 mmtt -65.31 -46.4 80.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.281 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.282 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.596 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.8 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.636 0.255 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.2 mt-30 -61.43 -29.56 70.02 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.86 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.17 -50.08 72.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.465 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.99 -34.4 70.8 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.872 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 394' ' ' THR . 39.6 mm -59.46 -53.54 46.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.326 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.2 mttt -57.87 -44.37 86.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.687 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.8 -40.63 93.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 22.3 tt0 -75.44 -37.01 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.681 HG12 ' HB3' ' B' ' 439' ' ' LEU . 75.4 mt -53.4 -52.75 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.27 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -61.16 -35.84 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.52 -42.65 99.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.538 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.481 ' HB2' HD23 ' B' ' 436' ' ' LEU . 85.2 mm-40 -76.27 -34.54 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 62.6 mt-10 -63.32 -38.95 93.16 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.0 -46.22 85.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.525 ' O ' HD23 ' B' ' 412' ' ' LEU . 28.3 mt -57.68 -45.67 85.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.716 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.9 tp -61.24 -47.62 85.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.382 0.61 . . . . 0.0 109.471 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.72 -44.11 85.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.798 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 80.0 p -60.74 -51.97 67.11 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.931 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.9 -44.54 78.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 2.6 m-70 -57.84 -49.99 74.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.384 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.01 -30.52 55.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.726 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.98 -49.49 51.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 429' ' ' LEU . 69.7 mt -65.49 -36.63 84.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.784 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 6.8 mt-30 -70.99 -9.28 57.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.03 -12.76 80.57 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.027 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 117.24 32.49 1.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.926 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 66.7 mt -137.85 144.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.487 ' HA ' HD22 ' B' ' 416' ' ' LEU . 2.3 pttm -161.12 150.2 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.187 0.518 . . . . 0.0 110.872 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.609 ' HB3' ' HE2' ' B' ' 425' ' ' LYS . 18.3 t70 -149.49 158.02 43.8 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 427' ' ' GLU . 8.4 mp -58.22 -30.12 66.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.087 0.403 . . . . 0.0 111.27 -176.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.19 -34.34 77.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HE2' ' HB3' ' B' ' 422' ' ' ASP . 39.1 mmtt -72.98 -43.55 62.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.197 -176.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 422' ' ' ASP . 0.5 OUTLIER -58.41 -47.18 84.77 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.872 -178.447 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.3 mm-40 -65.51 -38.26 89.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.255 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.631 ' O ' HG12 ' B' ' 432' ' ' VAL . 9.0 mmt180 -60.52 -38.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.683 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.552 HD11 HD12 ' B' ' 416' ' ' LEU . 16.5 mt -55.76 -48.58 75.03 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 123.441 0.463 . . . . 0.0 110.562 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 89.5 m95 -71.75 -37.71 70.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.957 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 52.9 mt-10 -59.94 -54.9 40.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.142 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.6 p -63.78 -33.61 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.355 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.1 tp60 -56.37 -51.41 68.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.563 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.603 ' NH2' ' HD2' ' A' ' 16' ' ' LYS . 4.5 mpt_? -68.8 -31.88 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 111.262 -177.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 39.5 mt -67.56 -47.63 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 109.771 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.7 tm? -59.07 -45.17 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.503 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 6.6 t -69.28 -34.46 74.76 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.084 0.468 . . . . 0.0 110.681 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.47 -39.6 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' B' ' 442' ' ' LYS . 1.6 mp -61.43 -37.25 82.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.682 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 58.8 mmtt -58.31 -42.71 87.29 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.659 0.742 . . . . 0.0 109.462 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.79 -43.05 97.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.827 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.689 ' HD3' HD12 ' B' ' 439' ' ' LEU . 28.5 mtpp -58.27 -35.77 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.242 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 37.7 tp -63.32 -39.75 95.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.847 0.356 . . . . 0.0 110.561 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -82.12 -6.2 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.564 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.78 -35.51 14.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.395 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.216 0.055 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 61' ' ' GLU . . . 63.38 3.2 1.33 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 tp -129.57 112.12 13.4 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CD2' HG13 ' A' ' 62' ' ' VAL . 27.6 m-70 -136.43 138.25 41.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 70.6 mmtt -120.93 120.03 34.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.512 0.196 . . . . 0.0 110.888 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.85 123.5 65.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.8 mt -109.27 135.53 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 90' ' ' LEU . 92.4 mmm -97.6 114.4 26.32 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.0 m -107.82 162.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.697 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.63 165.94 26.86 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -71.26 95.93 1.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.459 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 71.57 -75.19 0.7 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.724 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.27 80.71 0.07 OUTLIER Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.43 -67.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.11 26.22 0.2 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.479 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.5 pttp -78.39 -15.66 58.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.268 . . . . 0.0 111.428 -175.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HD23 ' A' ' 32' ' ' LEU . 26.6 m -78.92 -29.22 44.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.948 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.25 -44.04 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 159' ' ' ALA . 95.4 mt -66.39 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.88 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 66' ' ' ILE . 22.1 p -68.02 -45.57 73.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.335 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 28' ' ' SER . 4.6 mm? -63.18 -31.21 72.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -61.68 -56.22 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.887 174.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.99 -36.94 80.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 53' ' ' LYS . 8.2 tpp -69.7 -49.3 54.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.765 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 47.4 m-85 -106.84 -81.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.684 -177.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 35.1 t70 164.45 -29.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.0 0.812 . . . . 0.0 110.358 -177.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.09 165.63 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.835 -172.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -88.1 125.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.068 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.91 150.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.336 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -91.11 19.38 5.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.0 109.924 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 67.59 109.34 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.424 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 97.5 m-85 -72.42 159.41 34.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.208 175.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 44.9 mt-10 -77.5 -49.01 2.28 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.849 167.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.4 Cg_endo -60.52 -108.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 123.001 2.468 . . . . 0.0 114.656 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.492 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 23.4 p 53.62 33.49 16.59 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.604 0.761 . . . . 0.0 111.404 -173.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.07 -56.23 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.297 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.43 18.93 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.697 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' A' ' 45' ' ' PRO . 22.1 m-20 -85.89 95.49 9.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.03 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -104.09 145.19 30.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.1 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -131.06 145.73 52.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.624 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 33.0 ttm180 -101.75 113.69 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.095 0.474 . . . . 0.0 110.938 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 51.6 tptt -98.14 121.41 40.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.864 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 34.7 ttmt -90.72 118.2 29.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.263 0.554 . . . . 0.0 110.924 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.83 168.05 20.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 1.5 p -134.35 113.54 17.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.5 HD21 ' CD1' ' A' ' 170' ' ' PHE . 96.7 mt -88.92 99.09 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.895 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 70.2 -47.67 0.63 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.859 0.864 . . . . 0.0 112.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.47 32.07 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.26 -0.972 . . . . 0.0 113.924 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -127.46 119.12 25.4 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 170.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 32.3 mt-10 -70.11 111.72 5.96 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' GLU . 20.4 t -103.88 137.94 30.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -166.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 46.7 mt-30 -112.93 116.17 29.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 53' ' ' LYS . 10.9 tt -118.52 115.53 48.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.315 0.579 . . . . 0.0 110.397 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.17 127.18 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.582 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' CG2' ' A' ' 31' ' ' THR . 48.5 mm -107.93 127.93 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.805 0.336 . . . . 0.0 111.298 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.2 mt -111.6 118.84 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.476 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 32.2 t0 -90.22 86.55 6.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -68.34 138.69 55.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.453 -172.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.3 113.46 8.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.509 173.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.417 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -86.24 76.21 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.85 -175.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -149.16 178.51 8.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.89 -29.85 68.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.342 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.546 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 6.0 m-20 -88.48 -164.41 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.12 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' HD12 ' A' ' 78' ' ' ILE . 14.5 m-85 43.57 42.61 4.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.492 0.663 . . . . 0.0 111.975 -176.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -14.66 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.326 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.1 -14.19 61.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.785 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 19.3 mt -97.53 -37.97 7.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.373 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -92.29 -65.31 1.01 Allowed 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.654 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.482 ' OD1' ' HD3' ' B' ' 421' ' ' LYS . 4.6 t70 -60.06 -50.73 72.54 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 111.518 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 34.6 m-80 -73.92 -25.99 60.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.852 -171.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 4.0 m-85 -88.31 -36.88 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.482 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.7 m-30 -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.362 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -48.8 -65.91 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.856 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.474 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 4.8 t -87.82 24.74 1.68 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.45 0.643 . . . . 0.0 110.019 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.96 -177.84 51.94 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.5 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 36.3 tt0 -143.85 -79.27 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.06 147.95 16.35 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.855 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD12 ' A' ' 18' ' ' ILE . 81.7 m-85 -134.01 133.96 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.981 0.391 . . . . 0.0 111.208 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 124' ' ' LEU . 81.2 mt -108.79 122.02 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.14 107.78 19.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -110.47 126.43 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.131 0.491 . . . . 0.0 110.516 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.59 155.38 48.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -97.16 141.14 30.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.63 -4.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.337 -178.336 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 p -88.06 -42.2 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -86.37 95.83 9.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -64.34 -24.17 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.19 -37.93 89.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.301 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 m -64.9 -31.85 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.63 -40.2 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.637 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.7 m -73.75 -33.51 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -23.1 67.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.192 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 76.8 p -56.7 -37.57 71.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.83 95.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.551 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 20.3 tt0 -61.62 -42.98 99.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.615 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.6 m-85 -57.77 -51.4 69.71 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.299 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -58.53 -54.41 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.281 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.7 -31.08 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 22.8 tp60 -70.31 -34.44 72.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.361 . . . . 0.0 110.387 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 121' ' ' ILE . 54.7 mt -71.14 -41.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.277 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.2 mp -66.54 -23.99 66.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -71.52 -38.14 71.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 83' ' ' PHE . 34.8 m -91.64 -30.15 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 60.8 mttm -101.81 -100.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.325 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.95 -56.38 0.43 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.067 0.947 . . . . 0.0 113.364 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.48 0.4 29.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 -152.06 0.39 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.751 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.04 -83.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 74.9 mmtt -138.61 153.19 48.63 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.485 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 111' ' ' ILE . 36.6 mt -126.7 97.86 32.43 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.801 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.711 ' HG3' ' HG2' ' A' ' 179' ' ' LYS . 3.7 Cg_exo -80.78 115.3 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.265 2.644 . . . . 0.0 112.165 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.65 160.84 15.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.381 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.6 tp -150.73 118.07 6.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.468 ' N ' HD12 ' A' ' 124' ' ' LEU . 24.6 t -90.72 121.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.293 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.692 ' HB ' HG12 ' A' ' 92' ' ' VAL . 58.9 t -115.7 123.99 71.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.705 -176.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.35 106.36 2.09 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -99.51 142.46 30.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.589 ' HG3' HD23 ' A' ' 132' ' ' LEU . 59.0 tptt 66.11 63.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.435 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 m -77.51 -4.79 47.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.815 0.817 . . . . 0.0 108.966 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' A' ' 129' ' ' LYS . 32.5 t70 -76.53 66.72 2.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.728 -177.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -168.07 -52.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.304 176.276 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 132' ' ' LEU . 38.0 tt0 64.95 -67.23 0.12 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.849 0.86 . . . . 0.0 112.835 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.884 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.5 pt-20 -56.84 -34.68 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.884 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 87.6 mtt180 -95.79 19.0 11.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -170.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.677 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -70.36 114.42 8.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.719 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.68 -20.26 26.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.45 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.5 p -118.58 118.23 33.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.885 0.374 . . . . 0.0 110.788 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 34.3 Cg_exo -60.56 128.33 25.58 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.639 2.226 . . . . 0.0 112.709 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.0 OUTLIER -56.82 -27.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.247 177.578 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.35 -39.83 73.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.627 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.98 -19.77 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.736 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -67.94 -44.77 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.04 -33.49 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.1 0.476 . . . . 0.0 109.718 176.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.9 t -57.48 -49.53 75.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.858 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 25.6 mmtp -59.97 -41.27 91.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.655 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.31 98.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 0.0 110.511 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.17 -29.52 66.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.27 -40.27 95.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -82.97 -12.89 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.616 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 22.91 48.81 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.272 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.3 m -110.89 167.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 111.108 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.684 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -91.78 156.14 17.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.42 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -120.56 121.82 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.6 135.61 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.469 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.68 121.48 28.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.647 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -132.0 129.77 40.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -136.53 130.56 32.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.962 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.571 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -84.4 8.41 16.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.038 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -88.59 -20.1 25.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.835 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -0.15 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.678 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 162' ' ' ARG . 36.3 mtp-105 59.68 36.35 22.43 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.26 131.93 52.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 65.95 9.61 6.28 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.745 0.818 . . . . 0.0 112.437 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.51 -52.79 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.908 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.68 -31.88 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.096 0.474 . . . . 0.0 110.57 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -58.31 -52.54 65.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.389 -173.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.68 -29.45 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.26 -45.18 41.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.5 ' CD1' HD21 ' A' ' 57' ' ' LEU . 19.4 m-85 -67.55 -45.66 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.554 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.49 -50.87 68.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.3 tp -61.76 -44.33 97.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.578 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.0 mtm -63.96 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.943 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 12.3 mmm180 -67.65 -39.85 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.506 0.193 . . . . 0.0 110.957 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.38 -30.82 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 173' ' ' MET . 66.5 mt -56.94 -29.57 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.389 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.8 m -69.11 -30.0 68.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.385 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.711 ' HG2' ' HG3' ' A' ' 122' ' ' PRO . 14.4 mptt -66.78 -57.45 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.626 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -74.92 -23.99 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -172.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 C--N 1.326 -0.435 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.044 174.352 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.425 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.5 m . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 120.12 0.01 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -61.24 -33.49 73.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.565 0.221 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.15 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.46 93.35 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.784 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.448 HG21 ' HA ' ' B' ' 443' ' ' LEU . 32.7 mm -54.49 -47.49 70.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 0.0 110.306 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 97.6 mttt -60.57 -45.52 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.525 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.25 -34.79 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.724 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.08 -45.85 72.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' B' ' 439' ' ' LEU . 88.4 mt -53.25 -52.63 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.648 175.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 68.1 mtp180 -62.88 -34.09 76.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.763 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.9 -46.59 88.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.511 ' OE1' HG23 ' B' ' 432' ' ' VAL . 75.6 mm-40 -75.25 -32.21 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.711 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.48 -43.25 93.31 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.63 -51.38 69.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.971 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 432' ' ' VAL . 70.4 mt -58.74 -47.5 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.222 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -69.76 -45.79 67.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.466 . . . . 0.0 110.696 -176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -56.35 -47.2 79.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.573 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 12.2 t -60.57 -53.86 52.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.744 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 62.3 mt -53.93 -42.11 68.46 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.0 m170 -65.61 -41.08 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.65 -43.24 26.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.6 -54.27 25.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.605 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.65 ' HG ' ' HD3' ' B' ' 425' ' ' LYS . 1.5 mp -62.35 -26.77 68.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.723 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.9 tt0 -66.14 -13.86 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.81 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.29 11.41 50.26 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.476 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.53 33.95 17.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.04 116.5 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 29.0 mtmm -123.4 144.2 49.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.731 0.777 . . . . 0.0 112.054 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 22.5 t70 -147.65 159.11 44.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.221 -1.354 . . . . 0.0 107.475 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.253 0.549 . . . . 0.0 110.282 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -65.44 -42.03 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.39 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.65 ' HD3' ' HG ' ' B' ' 416' ' ' LEU . 0.3 OUTLIER -71.42 -37.07 71.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.387 -170.505 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.3 pt-20 -73.75 -35.65 65.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.212 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.28 -39.73 68.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.998 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.632 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.9 mmt180 -65.07 -35.91 82.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 174.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 416' ' ' LEU . 6.1 mt -55.72 -57.41 12.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.389 0.43 . . . . 0.0 111.388 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 51.6 m95 -63.92 -31.85 73.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.025 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.442 ' O ' HG13 ' B' ' 435' ' ' ILE . 39.0 tt0 -68.15 -56.55 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.722 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.1 p -62.77 -34.59 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.192 0.52 . . . . 0.0 109.837 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.43 -51.21 69.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.142 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.58 -26.28 63.45 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.577 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 40.3 mt -72.87 -45.66 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.07 -46.2 82.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -70.5 -35.45 73.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.637 0.256 . . . . 0.0 111.042 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.34 79.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.601 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.3 mp -64.86 -37.86 89.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.136 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -61.8 -39.13 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.345 0.593 . . . . 0.0 109.637 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.15 -44.96 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.372 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.61 -31.21 71.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.57 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' B' ' 398' ' ' ILE . 52.9 tp -62.59 -43.1 99.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.035 0.445 . . . . 0.0 110.077 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -82.09 -7.27 59.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.42 -35.18 25.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.918 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.875 179.615 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -97.85 11.08 38.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -133.15 126.56 31.95 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 57.1 m-70 -136.92 152.7 50.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 111.376 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 6.5 mmpt? -122.07 106.37 11.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.817 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.13 115.55 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.503 . . . . 0.0 110.767 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.23 131.02 64.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.331 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.2 ttm -93.51 114.79 27.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.32 155.66 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.61 -174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.11 -168.7 41.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 12.2 t -115.64 146.6 41.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.55 -113.19 1.65 Allowed Glycine 0 C--N 1.333 0.394 0 O-C-N 123.683 0.614 . . . . 0.0 112.731 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.73 52.54 0.77 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.078 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' SER . 38.4 t -82.04 65.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.969 0.89 . . . . 0.0 110.293 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.23 45.25 62.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.296 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 19.8 pttp -131.36 70.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.862 0.839 . . . . 0.0 110.69 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.54 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.615 172.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.55 -41.05 69.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.901 -177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 HD21 ' A' ' 128' ' ' ASN . 8.0 mp -63.27 -30.99 72.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.636 -173.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.4 p -69.71 -43.03 73.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.007 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -37.0 83.48 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.812 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 90.1 mt-30 -64.13 -33.59 76.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.342 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -71.18 -37.24 72.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.644 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.6 mtt -78.02 -54.28 6.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.375 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -143.81 -61.76 0.4 Allowed 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.873 1.321 . . . . 0.0 110.631 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 1.3 t70 -88.91 -162.37 0.85 Allowed 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 111.898 -2.41 . . . . 0.0 112.097 -149.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -131.15 -165.24 1.54 Allowed 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.806 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -74.24 106.41 5.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.206 0.527 . . . . 0.0 109.796 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -78.59 157.65 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.138 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.0 -11.82 24.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.25 125.36 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.525 174.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -175.83 121.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 1.037 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.7 mm-40 -134.6 -36.97 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 1.037 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -45.94 98.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.854 2.369 . . . . 0.0 113.081 174.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -158.37 42.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.096 177.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -85.37 -50.81 7.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.883 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.13 20.8 8.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.459 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.5 m-20 -94.15 94.33 8.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.469 -171.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t -105.71 151.54 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.595 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 0.3 OUTLIER -140.2 125.26 18.55 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.747 -178.611 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 41.3 ttp180 -91.77 113.79 26.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.019 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.32 138.72 35.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.162 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -97.68 118.51 34.37 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 172.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.5 142.01 44.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 2.6 p -92.49 102.7 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.845 0.831 . . . . 0.0 109.536 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.27 99.37 11.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.018 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 61.98 12.26 4.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.412 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.89 -33.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.936 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.4 pt-20 -105.94 140.82 38.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.595 0.697 . . . . 0.0 110.75 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -76.81 111.28 12.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.26 0.552 . . . . 0.0 109.628 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 13' ' ' ALA . 10.8 t -107.09 155.83 7.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.394 -170.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -112.35 117.01 31.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -123.93 112.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.391 0.615 . . . . 0.0 110.44 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 17.4 t70 -98.02 121.19 39.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.763 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.44 114.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.448 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.84 130.2 46.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.497 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -95.18 120.2 35.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 140.94 36.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.095 0.474 . . . . 0.0 111.589 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.94 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.206 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 56.65 2.4 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.92 158.38 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.659 0.266 . . . . 0.0 110.82 -178.143 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.15 -24.11 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.705 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD13 ' A' ' 72' ' ' LEU . 16.3 m-20 -57.26 -64.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 111.238 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -84.35 65.03 8.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.434 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -64.94 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.547 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.485 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -63.26 -19.97 65.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.352 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.475 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 27.8 mt -94.64 -30.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -92.14 -66.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.768 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -40.36 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 111.179 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 13.7 m120 -76.55 -22.71 53.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.895 -174.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 23.8 m-85 -89.97 -35.87 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 18.7 m-30 -56.53 -27.38 57.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.462 HH12 ' CD ' ' A' ' 117' ' ' GLU . 21.1 mmm180 -47.25 -67.98 0.23 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.9 m -84.92 29.61 0.62 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.006 0.431 . . . . 0.0 111.444 -178.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.63 -172.27 47.53 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.277 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 31.7 tt0 -148.36 -76.28 0.17 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.769 0.427 . . . . 0.0 110.129 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 148.62 16.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.875 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.87 133.39 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -99.46 114.66 27.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.322 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 HG22 ' A' ' 125' ' ' VAL . 65.7 tp -97.99 107.16 19.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.037 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.1 m -104.73 136.77 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.099 0.475 . . . . 0.0 111.803 -176.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -144.98 163.74 33.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.727 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 p -111.12 146.27 37.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.255 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.737 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.48 -0.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.773 0.321 . . . . 0.0 111.57 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.512 HG23 HD13 ' A' ' 132' ' ' LEU . 2.0 p -90.27 -53.37 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 110.699 174.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.9 95.67 5.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.792 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -64.13 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.147 178.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.208 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -68.49 -27.27 65.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.721 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -68.34 -45.65 72.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -68.6 -28.78 67.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.272 0.558 . . . . 0.0 110.794 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.46 62.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.248 -177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 38.9 p -54.47 -39.5 67.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 111.871 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.05 92.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.693 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.77 -45.39 94.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.578 ' HZ ' ' HB2' ' A' ' 22' ' ' SER . 22.1 m-85 -63.28 -49.34 74.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.139 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -55.39 -54.82 38.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 42.7 mt-10 -61.53 -38.63 88.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.234 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 24.0 tp60 -59.01 -38.76 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.086 0.47 . . . . 0.0 110.5 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.01 -44.37 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.191 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.1 -25.96 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.679 0.276 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 61.5 mtp180 -64.73 -29.31 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.338 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.6 m -102.73 -19.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.363 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.612 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 40.2 mttm -104.83 -112.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.832 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.03 -24.39 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.228 1.011 . . . . 0.0 113.662 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.462 ' CD ' HH12 ' A' ' 84' ' ' ARG . 12.3 pt-20 -88.56 12.21 15.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.612 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 8.3 pt-20 -122.9 -167.15 1.54 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.187 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -84.39 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 30.7 mmtp -141.92 129.93 21.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.864 -0.522 . . . . 0.0 111.539 -172.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.2 mt -102.35 104.9 40.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.623 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 6.4 Cg_endo -87.4 114.76 1.03 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.249 2.633 . . . . 0.0 112.522 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.37 121.98 45.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.476 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.8 tp -105.41 112.97 26.27 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.463 HG22 HD23 ' A' ' 91' ' ' LEU . 4.7 t -85.1 118.5 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 0.0 109.845 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' A' ' 92' ' ' VAL . 28.6 t -112.26 127.88 69.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.889 -174.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.31 113.78 3.81 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.417 HD21 HD11 ' A' ' 30' ' ' LEU . 9.7 t-20 -109.21 164.78 12.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.857 0.329 . . . . 0.0 110.537 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 mmmp? 63.58 63.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.052 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.0 m -87.52 11.01 15.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.398 0.618 . . . . 0.0 110.204 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.54 -2.65 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -102.0 -61.18 1.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.327 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 67.42 -65.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.736 0.814 . . . . 0.0 111.542 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.95 -26.95 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.615 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.428 ' HB2' HD13 ' A' ' 132' ' ' LEU . 59.7 mtp180 -86.76 19.32 2.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.678 -174.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -67.01 113.69 5.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.57 0.224 . . . . 0.0 110.411 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -102.53 -10.34 19.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 110.906 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 4.2 p -125.51 120.05 24.68 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.688 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.631 ' HB2' ' HG2' ' A' ' 141' ' ' GLU . 19.0 Cg_endo -59.82 119.23 6.33 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.214 1.943 . . . . 0.0 110.824 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.44 -11.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.956 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.7 pt-20 -59.69 -43.85 93.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 13.7 pt-20 -77.88 -24.74 48.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.041 0.448 . . . . 0.0 110.155 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.22 91.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -62.33 -41.76 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.121 173.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.0 t -55.93 -43.55 77.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.845 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.69 -44.33 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.2 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.204 0.526 . . . . 0.0 110.309 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.76 -35.47 80.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.405 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.5 -40.68 95.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.937 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.78 -13.1 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.527 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.44 25.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.301 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.87 -176.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 122.042 0.137 . . . . 0.0 110.917 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.438 ' CG ' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -106.4 153.38 22.33 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -121.34 126.84 50.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.879 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.5 130.88 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.874 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.66 134.95 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 164' ' ' ASN . 61.7 p -133.88 170.02 16.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.5 . . . . 0.0 111.541 -176.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.1 t -155.29 124.48 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.44 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.77 -26.0 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.528 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -76.69 -45.96 27.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.998 0.427 . . . . 0.0 110.125 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -14.87 47.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.694 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 60.16 80.96 0.19 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.274 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.05 126.91 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 94.9 m-20 65.25 7.75 4.41 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.515 0.726 . . . . 0.0 112.455 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -38.49 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.098 0.475 . . . . 0.0 110.684 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.46 -31.81 58.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.373 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.54 -47.63 84.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.79 -28.79 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -75.06 -52.16 11.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.433 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.7 m-85 -63.94 -46.99 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -42.81 93.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.826 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 176' ' ' ILE . 53.3 tp -60.56 -42.99 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 109.966 177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.544 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.8 mtm -60.26 -30.11 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.077 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 9.9 mmm180 -74.87 -41.78 59.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.411 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.4 mt-10 -59.98 -38.62 83.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.371 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.0 mt -57.77 -42.69 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.498 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 173' ' ' MET . 63.4 mtt-85 -63.33 -43.77 96.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.37 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.2 m -61.47 -38.84 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.1 mptt -65.06 -46.6 80.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.629 176.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -67.78 -40.09 84.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.301 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 C--N 1.324 -0.513 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.184 177.027 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.52 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 120.684 0.278 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -53.64 -35.6 61.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.136 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.95 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.904 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.416 ' HA2' ' OE1' ' B' ' 400' ' ' GLU . . . -69.67 -33.93 72.1 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.589 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.52 HG12 ' O ' ' B' ' 394' ' ' THR . 30.7 mm -56.64 -47.92 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.027 0.441 . . . . 0.0 110.023 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.11 -38.66 87.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.13 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.416 ' OE1' ' HA2' ' B' ' 397' ' ' GLY . 47.4 mt-10 -60.03 -48.81 80.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.678 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 20.5 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.505 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' B' ' 443' ' ' LEU . 93.2 mt -59.23 -50.53 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.531 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 25.5 mmm180 -62.12 -31.26 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.248 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.87 -44.62 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.359 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.51 ' HB2' HD13 ' B' ' 436' ' ' LEU . 32.9 mm-40 -68.7 -35.55 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.531 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 44.3 mt-10 -60.53 -41.8 95.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.098 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.41 -47.38 86.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.94 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.9 mt -60.64 -51.2 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.713 HD22 HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -59.32 -39.44 83.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.976 178.65 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -64.56 -44.71 89.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.068 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.6 t -59.69 -54.02 51.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.516 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -55.72 -42.75 75.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.805 0.336 . . . . 0.0 111.096 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.4 m170 -64.77 -39.21 93.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -77.48 -45.76 24.6 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.29 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.54 -55.11 22.65 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.29 0.567 . . . . 0.0 111.643 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.438 HD11 HD12 ' B' ' 412' ' ' LEU . 67.1 mt -65.97 -24.58 66.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.778 -175.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 38.5 tt0 -59.22 -21.57 59.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.67 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.33 -7.16 86.92 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.925 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.46 17.66 13.22 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.247 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 51.7 mt -87.47 132.85 31.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -139.52 143.37 37.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.994 0.902 . . . . 0.0 112.762 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.702 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.5 t70 -149.54 171.36 16.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 7.8 mp -72.19 -31.16 65.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.725 0.774 . . . . 0.0 109.779 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -34.64 78.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.251 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.8 pptp? -69.92 -37.38 75.93 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.588 -172.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.588 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.2 pt-20 -72.87 -41.76 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.18 -42.28 76.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.71 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.0 mmt180 -61.5 -44.47 97.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.845 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 433' ' ' GLN . 8.1 mt -55.38 -52.51 63.3 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.468 0.48 . . . . 0.0 111.543 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.734 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 87.3 m95 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.604 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.696 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 9.5 tp10 -65.03 -56.02 15.53 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.014 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.713 HG13 HD22 ' B' ' 409' ' ' LEU . 3.5 p -62.67 -32.95 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.461 0.648 . . . . 0.0 109.852 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.2 tp60 -55.77 -53.48 56.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.43 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.734 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.7 OUTLIER -71.45 -26.13 62.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.092 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 58.9 mt -68.32 -52.62 35.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' B' ' 405' ' ' GLN . 31.0 tp -58.42 -38.62 77.81 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 13.3 t -71.98 -40.28 68.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.209 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.7 73.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.412 ' HG ' HG12 ' B' ' 402' ' ' ILE . 26.9 tp -66.11 -33.69 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.753 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.54 -41.95 95.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 110.171 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.95 -45.26 93.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.218 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.37 -31.8 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.479 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' B' ' 402' ' ' ILE . 47.8 tp -66.45 -44.06 83.85 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.437 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -80.4 -1.74 42.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.86 -43.01 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.83 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.635 -175.635 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--O 1.239 0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -114.4 17.83 17.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.14 -170.174 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD21 HH22 ' B' ' 434' ' ' ARG . 39.2 tp -128.69 120.42 26.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.581 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -136.47 151.4 49.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -174.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.728 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -119.41 120.91 38.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.284 173.51 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.78 123.71 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' HE1' ' A' ' 83' ' ' PHE . 68.9 mt -104.84 127.47 59.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.678 -178.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.9 tpp -87.39 107.97 18.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.712 -178.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.2 126.81 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.432 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -173.03 24.11 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.078 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.805 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 23.2 t -94.6 -12.05 28.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.606 0.717 . . . . 0.0 110.041 -175.259 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.77 -73.35 0.39 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.49 -178.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 8.62 9.66 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.955 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.75 -8.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 122.665 -0.314 . . . . 0.0 110.922 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.64 90.81 0.18 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.761 -177.773 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -138.58 -77.71 0.36 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.794 0.331 . . . . 0.0 110.769 175.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 18.1 m -68.99 -40.74 78.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -175.283 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.54 88.12 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.6 mt -62.28 -49.85 74.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 111.175 -178.362 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.588 HG21 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -72.16 -33.74 67.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.959 -175.124 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 28' ' ' SER . 97.0 mt -61.47 -40.06 93.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.352 -0.139 . . . . 0.0 111.017 177.28 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -60.2 -44.66 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.343 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.8 -34.08 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.924 -175.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.482 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 45.8 mtm -96.59 -49.67 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -173.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -90.07 -8.08 52.3 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 67.61 13.71 9.34 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.911 0.757 . . . . 0.0 111.809 176.213 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -132.77 161.85 33.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.787 -177.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -85.02 133.45 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 32' ' ' LEU . 3.2 p -55.71 112.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.573 0.701 . . . . 0.0 112.395 -173.411 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.88 -60.85 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.015 173.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -135.52 100.62 4.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -164.04 109.07 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.595 174.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.708 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 36.3 mt-10 -101.9 -63.76 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.567 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 86.2 Cg_exo -45.31 -79.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 123.439 2.759 . . . . 0.0 115.023 -164.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.9 41.04 26.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.803 0.335 . . . . 0.0 111.077 -173.024 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -86.55 -58.18 2.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -178.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.52 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.09 135.66 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.211 0.529 . . . . 0.0 111.455 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 p -131.94 -173.07 3.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.206 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 35' ' ' MET . 85.4 t80 -131.92 128.49 38.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.13 0.49 . . . . 0.0 111.156 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 25.7 ttt180 -77.09 105.37 8.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.331 175.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -109.0 140.53 42.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.232 -175.182 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 24.7 ttmt -114.61 130.73 56.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 173.441 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.53 154.79 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.42 137.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.857 176.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -133.63 99.11 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.77 78.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.998 0.811 . . . . 0.0 111.548 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.12 -127.61 2.53 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.58 174.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.59 157.08 18.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 63.5 mt-10 -56.79 125.59 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 111.054 -175.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' HA ' ' A' ' 13' ' ' ALA . 21.9 t -107.37 145.13 15.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.044 -175.383 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -112.97 122.02 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.029 0.442 . . . . 0.0 110.167 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.7 tt -109.27 114.87 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.654 0.74 . . . . 0.0 110.177 178.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.728 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 25.7 t0 -87.87 113.1 23.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.007 -177.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 HG21 ' A' ' 31' ' ' THR . 24.4 mm -108.51 135.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 0.0 112.339 -169.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.6 tp -131.5 123.7 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.122 171.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -98.74 82.09 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 79' ' ' ARG . 24.6 m -60.94 142.32 56.53 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.249 -170.059 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.0 120.38 22.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.947 173.531 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 65.84 3.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.533 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -147.66 160.58 42.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.596 0.236 . . . . 0.0 110.773 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -92.21 -7.54 47.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.7 m-20 -57.97 -75.57 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.75 0.786 . . . . 0.0 110.414 175.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.528 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.8 m-85 -84.07 68.04 9.91 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.618 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.18 -23.68 62.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.532 177.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -66.77 -6.99 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.291 177.505 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.0 mt -107.96 -35.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.196 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HA ' HG21 ' A' ' 69' ' ' THR . 53.2 ttt180 -85.56 -64.94 1.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.0 -55.0 7.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.691 -173.296 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.602 ' CG ' ' HA ' ' A' ' 77' ' ' ALA . 1.5 m-20 -59.91 -24.47 64.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.253 -173.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.505 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.5 m-85 -90.41 -18.47 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.319 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 11.3 m-30 -72.94 1.23 9.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.569 HH11 ' HB ' ' A' ' 114' ' ' VAL . 29.9 mmt-85 -70.77 -62.41 1.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.227 0.537 . . . . 0.0 110.64 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -92.52 11.01 27.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.407 -174.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.05 122.56 5.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.496 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 38.7 mt-10 -86.36 -74.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.0 110.56 -178.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 128.74 9.3 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.385 -174.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 87.1 m-85 -115.36 117.33 30.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.989 0.423 . . . . 0.0 111.02 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.67 114.19 25.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.674 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.81 105.12 17.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG22 ' HB ' ' A' ' 126' ' ' VAL . 37.2 t -108.83 127.76 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.371 0.605 . . . . 0.0 111.782 -176.656 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -133.51 175.43 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.212 175.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t -129.72 143.08 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.688 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.9 -3.65 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.049 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.409 ' CG2' HD22 ' A' ' 132' ' ' LEU . 4.0 p -88.75 -15.11 35.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 110.904 175.016 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.99 102.56 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.252 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -63.49 -18.37 63.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.125 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.76 -52.99 24.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.487 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 2.0 p -61.47 -36.75 81.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HE1' ' HA ' ' A' ' 143' ' ' ALA . 62.8 t80 -58.5 -40.56 83.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.345 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 m -75.07 -36.08 61.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.863 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.52 -15.81 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.287 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.3 p -54.05 -39.14 65.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 110.952 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.79 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.361 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.45 -46.06 84.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.1 m-85 -58.67 -47.55 84.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.238 176.706 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 111' ' ' ILE . 54.5 ttt180 -56.29 -50.3 71.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -59.28 -40.09 85.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.561 -178.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 114' ' ' VAL . 6.2 tp60 -62.48 -36.27 81.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.262 -179.537 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.0 mt -62.1 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.77 -35.68 70.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.254 178.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -58.47 -39.72 80.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.634 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.1 m -90.6 -5.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.947 -175.29 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.1 mtmt -134.48 -108.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -178.397 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.66 4.69 1.92 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.461 0.704 . . . . 0.0 112.328 -174.174 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -113.42 -0.64 14.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.69 -179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.68 -159.14 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.514 -174.128 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -78.12 -67.23 0.75 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 -176.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.554 ' HG2' ' HE3' ' A' ' 179' ' ' LYS . 49.4 tptt -163.62 111.82 1.21 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.423 HD13 HG22 ' A' ' 111' ' ' ILE . 67.5 mt -72.33 113.39 20.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.8 Cg_endo -91.54 127.5 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.476 2.784 . . . . 0.0 111.986 176.048 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 81.7 mt -119.92 139.46 52.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 -178.229 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.855 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.9 tp -141.84 122.42 14.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.273 177.077 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.695 HG13 ' HD1' ' A' ' 154' ' ' TYR . 14.8 p -102.32 129.23 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.711 0.767 . . . . 0.0 110.486 -178.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.2 t -118.38 131.28 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 -173.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 92.16 1.13 Allowed Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 175.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.402 ' OD1' HD21 ' A' ' 30' ' ' LEU . 8.4 t30 -86.36 150.77 24.09 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.655 -0.32 . . . . 0.0 110.965 -173.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 71.11 72.91 0.19 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.385 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -89.86 3.68 52.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 172.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.16 62.43 0.92 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.81 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 134' ' ' GLU . 0.7 OUTLIER -161.94 -54.09 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.411 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 12.9 pt-20 50.88 -59.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.871 1.668 . . . . 0.0 114.556 -176.416 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 9.5 pt-20 -58.99 -24.36 62.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.112 0.565 . . . . 0.0 111.995 -178.175 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.0 mtt180 -110.95 27.14 9.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.476 -171.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.0 ttp180 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -82.35 -35.71 27.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 -175.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.98 126.46 27.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.478 -178.334 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.719 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 57.5 Cg_exo -53.18 122.6 11.46 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 111.927 177.444 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -75.51 -17.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -174.92 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.21 -40.35 86.43 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.986 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.719 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.5 pt-20 -80.92 -19.63 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.971 177.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -66.57 -39.34 88.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.046 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 71.6 mtp180 -62.11 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.061 173.361 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 9.3 t -64.66 -25.11 67.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.943 -178.411 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 -54.4 38.95 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.056 0.455 . . . . 0.0 110.223 174.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.92 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.294 176.421 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 37.0 tt0 -58.62 -36.85 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.429 177.059 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -80.98 -39.13 26.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 110.721 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.484 ' HB2' HG22 ' A' ' 152' ' ' VAL . 51.5 m0 -73.03 -17.12 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.093 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.24 72.23 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.891 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 150' ' ' TRP . 30.0 m -110.53 -174.75 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 -177.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.855 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -106.49 150.73 25.81 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.538 179.002 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.695 ' HD1' HG13 ' A' ' 125' ' ' VAL . 43.0 t80 -121.43 120.12 34.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.411 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.16 121.56 57.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.62 143.69 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 174.148 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -140.12 167.98 20.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.274 0.559 . . . . 0.0 111.45 -172.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -135.92 116.37 13.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.692 174.777 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -77.09 -4.64 45.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 110.768 -179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -77.27 -44.99 27.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.188 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 163' ' ' ALA . 9.0 t -111.37 11.15 21.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.653 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.79 31.19 20.06 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.876 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 161' ' ' THR . . . -69.16 101.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.399 -175.571 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 61.93 21.23 12.15 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.841 0.713 . . . . 0.0 112.117 177.032 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 168' ' ' VAL . 75.5 t -68.29 -45.94 81.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.73 -33.73 76.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.21 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.79 -49.35 75.59 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.469 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.6 m -57.31 -30.15 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.437 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.93 -46.53 35.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 177.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 32.1 m-85 -65.16 -51.51 60.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.61 -47.56 79.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 50.0 tp -60.74 -45.54 93.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.518 -179.318 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.98 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.464 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.4 OUTLIER -66.04 -41.29 91.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.272 -0.171 . . . . 0.0 111.247 179.271 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.577 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 20.7 mt-10 -66.87 -35.91 81.1 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.632 176.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.6 mt -64.31 -28.77 45.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.562 177.388 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 181' ' ' MET . 40.4 mtt180 -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.69 176.636 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 20.5 m -61.42 -32.11 72.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 179.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 11.3 mptt -59.8 -46.79 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 175.299 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.79 -39.19 76.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.492 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.7 mtt . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.664 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.802 0.334 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 36.7 mt-30 -65.31 -31.31 72.38 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.744 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.2 69.9 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.48 -37.45 93.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.704 177.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.545 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -61.03 -51.87 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 177.707 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 7.5 mtpm? -58.51 -43.71 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.519 -176.504 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.33 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.87 -37.59 79.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' B' ' 439' ' ' LEU . 81.5 mt -53.77 -52.81 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.582 173.761 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -58.94 -34.95 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 42.7 ttt180 -61.96 -47.3 85.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' B' ' 436' ' ' LEU . 79.4 mm-40 -72.58 -30.81 64.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -178.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.431 ' CG ' HD21 ' B' ' 436' ' ' LEU . 45.5 mt-10 -63.47 -43.99 95.73 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.082 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -61.62 -49.64 75.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 176.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -59.69 -51.73 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.194 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.63 HD13 HG13 ' B' ' 432' ' ' VAL . 64.4 tp -65.52 -33.23 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.732 -179.351 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -61.6 -43.77 98.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.615 177.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -53.67 55.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.471 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -55.54 -35.07 65.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 177.361 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.616 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 18.9 m170 -69.22 -39.41 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.649 177.374 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -77.53 -53.08 8.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.72 -56.43 21.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 111.661 -174.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.5 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 80.2 mt -64.33 -26.76 68.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.355 -176.339 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 46.4 tt0 -61.12 -29.2 69.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.139 -178.572 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -128.06 21.52 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 157.15 111.73 0.34 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.045 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 416' ' ' LEU . 29.1 mm -79.79 124.8 38.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 O-C-N 122.498 -0.413 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -75.21 -52.06 11.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.113 0.958 . . . . 0.0 109.327 173.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 13.8 m-20 -148.2 151.25 35.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.443 -176.401 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.64 -25.29 67.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.171 0.51 . . . . 0.0 110.086 170.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.576 ' HA ' ' OE2' ' B' ' 427' ' ' GLU . 50.1 m -61.37 -29.94 70.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 176.27 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 69.9 mmtt -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.725 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 43.8 mt-10 -67.51 -39.13 85.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.55 0.69 . . . . 0.0 109.383 176.11 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' B' ' 424' ' ' SER . 34.5 mt-10 -59.74 -47.15 86.81 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.637 ' O ' HG12 ' B' ' 432' ' ' VAL . 47.6 mmt-85 -61.76 -31.86 72.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.448 178.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 7.0 mt -55.26 -56.34 21.08 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 123.35 0.406 . . . . 0.0 110.413 177.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -60.23 -37.45 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.571 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 60.7 mm-40 -68.7 -54.93 13.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.637 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.3 p -65.18 -33.15 61.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.475 . . . . 0.0 110.496 -179.124 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' B' ' 409' ' ' LEU . 28.2 tp60 -55.58 -53.78 52.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.17 177.039 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 2.8 ptm180 -66.98 -27.4 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.526 -177.691 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.5 mt -74.32 -43.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -57.41 -45.59 84.41 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.842 178.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -72.79 -32.24 65.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.699 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.94 -38.78 92.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 175.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.904 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -64.98 -48.18 74.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.274 -178.716 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.23 -28.53 69.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.428 0.633 . . . . 0.0 109.973 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -67.29 -42.31 83.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.904 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.5 mtpt -58.52 -36.19 73.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.665 175.682 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.26 -38.38 83.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.506 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.53 -18.61 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.454 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.13 -38.77 24.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.726 0.298 . . . . 0.0 111.22 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.915 -177.76 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.05 0.94 54.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.658 0.742 . . . . 0.0 110.11 176.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 tp -127.56 106.03 8.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.733 -1.122 . . . . 0.0 109.205 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -101.77 153.65 19.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.196 0.522 . . . . 0.0 111.422 -176.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.3 tpmt? -124.6 103.85 8.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.768 179.545 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' HB ' HD13 ' A' ' 66' ' ' ILE . 64.9 t -115.45 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.518 0.675 . . . . 0.0 110.767 -173.495 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.92 119.93 53.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.54 -177.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 49.2 mtt -87.44 120.3 28.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.006 177.422 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.542 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 27.1 m -99.79 149.21 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.75 149.93 7.27 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -56.15 -62.74 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.269 0.557 . . . . 0.0 110.721 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.62 -75.29 0.68 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.718 178.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.869 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . -174.64 61.61 0.12 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG11 ' C ' ' A' ' 93' ' ' PHE . 24.3 t -58.91 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.234 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.67 5.77 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.193 178.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 10.3 pttt -84.72 45.16 1.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.657 0.741 . . . . 0.0 110.636 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 73.3 m -152.68 -54.26 0.12 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.798 173.228 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.76 71.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 111.313 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.3 mt -65.8 -44.22 86.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.821 -178.311 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.561 HG21 ' HE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.75 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.3 -44.08 97.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.427 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -59.23 -46.33 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.916 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.23 -7.65 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.104 0.478 . . . . 0.0 111.91 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -109.26 -53.45 2.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.721 -0.612 . . . . 0.0 111.654 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.04 -12.52 19.64 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.341 0.401 . . . . 0.0 111.949 -172.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.7 18.31 11.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.456 0.646 . . . . 0.0 110.368 -173.062 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -128.71 154.75 46.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.587 -178.092 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -79.2 145.63 33.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 130.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.235 0.54 . . . . 0.0 111.211 -177.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.16 -69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.436 178.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.13 104.98 5.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.784 178.696 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -168.14 116.17 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.409 -175.18 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.921 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -117.96 -46.79 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.1 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.921 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 2.8 Cg_endo -46.06 127.48 10.65 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.492 2.128 . . . . 0.0 112.62 179.065 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -154.2 -27.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.462 177.799 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.704 ' HE2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -53.42 -55.87 21.56 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -171.828 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.32 -24.43 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.076 0.465 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.6 76.89 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 48.3 m -91.13 171.34 9.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.844 -179.587 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HE1' HG21 ' A' ' 31' ' ' THR . 1.0 OUTLIER -135.92 131.87 35.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.372 0.606 . . . . 0.0 112.122 -171.468 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -102.76 121.56 42.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.034 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -98.56 137.36 37.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.224 -179.051 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -107.82 125.56 51.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.145 173.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.06 146.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.61 118.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.18 0.514 . . . . 0.0 110.107 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -105.88 99.23 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.567 -176.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.17 16.52 8.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.996 173.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.42 -57.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.234 -1.46 . . . . 0.0 114.686 175.164 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.85 141.37 28.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.391 0.596 . . . . 0.0 111.788 -173.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.94 115.55 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.735 177.171 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.35 144.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.08 -177.29 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -113.31 134.87 54.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.305 0.574 . . . . 0.0 111.052 -174.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' SD ' ' A' ' 173' ' ' MET . 11.8 tt -135.11 120.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.911 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.5 131.87 53.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.359 -176.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 ' HB ' ' A' ' 17' ' ' VAL . 40.3 mm -114.41 126.91 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -173.509 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 82' ' ' TYR . 15.8 tp -112.93 147.27 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 7.3 t70 -105.69 116.93 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.867 176.747 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 20' ' ' VAL . 21.0 p -87.28 179.46 6.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 111.906 -178.186 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 47' ' ' LYS . . . -130.15 130.04 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.397 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.54 61.56 4.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.424 -178.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -160.08 170.81 20.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.353 0.261 . . . . 0.0 110.323 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -89.3 -13.2 38.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.508 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -65.66 -62.68 1.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.486 . . . . 0.0 111.302 -177.049 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.401 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 48.2 m-85 -82.53 62.0 5.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.178 -177.499 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.28 -26.38 68.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.504 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.9 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -77.66 -7.47 56.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.731 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.622 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 5.4 mt -106.76 -32.9 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.333 179.152 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -92.1 -66.41 0.93 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.62 -54.5 7.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.692 . . . . 0.0 111.248 -172.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.9 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 83.2 m-20 -65.64 -17.73 64.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.69 -172.404 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.622 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -91.78 -30.79 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.681 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -56.99 -27.84 61.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.986 0.422 . . . . 0.0 111.974 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.768 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.631 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 24.0 m -86.34 21.68 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.134 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.525 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.8 151.7 20.06 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.683 178.313 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -122.53 -39.0 2.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.572 0.186 . . . . 0.0 111.071 178.756 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 135.0 12.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.12 176.097 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.27 129.56 45.08 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 122.504 -0.409 . . . . 0.0 111.289 -178.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -115.86 123.34 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 104' ' ' THR . 10.1 mp -97.4 108.66 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.631 176.562 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.36 114.77 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 0.0 110.897 -178.652 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' C ' HG11 ' A' ' 25' ' ' VAL . 5.0 p90 -132.53 175.32 9.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.99 179.129 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -119.98 145.74 46.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.675 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.6 14.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.318 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.489 HG21 HD13 ' A' ' 132' ' ' LEU . 6.0 p -108.66 -28.01 9.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 0.0 111.438 175.017 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -102.42 113.28 26.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.143 0.496 . . . . 0.0 110.178 178.523 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -74.9 -21.45 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.267 -178.177 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.64 -48.3 72.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.5 m -64.64 -25.4 67.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.068 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.19 -47.25 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 0.0 110.574 176.315 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 m -65.58 -29.96 70.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.469 177.086 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.47 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.191 -178.529 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 91' ' ' LEU . 68.5 p -60.01 -41.54 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.017 0.437 . . . . 0.0 110.71 178.494 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.66 82.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 177.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.4 tp10 -61.62 -50.88 70.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.928 177.525 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.5 m-85 -58.76 -44.62 90.65 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 178.595 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -53.58 -55.47 25.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.74 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.27 -27.08 62.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.289 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.2 tp60 -61.39 -46.82 88.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 110.041 177.188 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.4 mt -57.77 -51.33 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.044 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.14 -34.11 76.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.177 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -64.12 -36.25 83.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.931 -175.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 115' ' ' LYS . 16.2 m -97.98 -13.12 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.574 -177.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -114.53 -106.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.119 -177.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.12 15.95 6.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.17 0.588 . . . . 0.0 112.285 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -118.49 13.87 13.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 109.901 179.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -94.23 -172.43 2.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.702 -176.421 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.587 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 13.9 t70 -81.17 -61.62 1.9 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.104 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.587 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 46.0 mmtm -142.66 156.09 45.01 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.46 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 111' ' ' ILE . 67.3 mt -121.59 98.21 46.15 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 109.954 174.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 2.9 Cg_endo -81.5 115.29 2.83 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.57 2.847 . . . . 0.0 112.063 178.216 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.48 152.37 21.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.143 0.497 . . . . 0.0 110.473 178.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.813 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.4 tp -144.21 119.08 9.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.48 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.07 119.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.66 114.52 47.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.138 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.14 112.24 3.57 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.523 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -94.65 165.97 12.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 67.62 31.56 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.655 0.597 . . . . 0.0 109.8 179.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -62.41 -12.54 22.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.418 0.628 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.941 176.742 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HB2' HD11 ' A' ' 95' ' ' ILE . 86.1 mt -89.91 30.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.742 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.35 -24.35 64.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.102 0.41 . . . . 0.0 111.372 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.94 -14.51 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 96' ' ' THR . 97.1 mtt180 -127.14 9.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -175.196 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 112.03 1.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.173 0.511 . . . . 0.0 110.64 -174.714 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -100.88 -29.58 12.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.792 -178.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.39 116.71 67.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.528 174.144 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.2 Cg_exo -61.49 100.06 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.843 1.695 . . . . 0.0 109.757 172.516 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.4 p -69.52 -14.84 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.125 0.488 . . . . 0.0 110.674 -168.434 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -56.97 -41.88 79.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.621 176.139 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.9 pt-20 -78.38 -22.8 47.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.539 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.14 77.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 26.1 mtp180 -70.74 -35.56 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.761 174.543 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 t -63.28 -37.34 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.409 177.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 74.9 mmtt -55.81 -47.15 77.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.099 0.476 . . . . 0.0 110.199 175.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.53 76.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.652 -177.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.64 -44.5 90.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.62 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.219 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.25 -16.36 56.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.874 0.369 . . . . 0.0 111.071 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.16 29.12 59.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.792 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.42 -175.41 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 -178.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.813 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.7 pm0 -112.11 146.06 38.67 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.352 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -122.36 122.39 38.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.879 0.371 . . . . 0.0 110.437 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.88 139.2 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.37 132.77 45.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.564 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.0 p -134.33 174.73 10.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.118 0.485 . . . . 0.0 110.738 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.7 t -163.53 136.95 5.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.551 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.478 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -88.47 -3.74 58.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.208 0.528 . . . . 0.0 109.582 174.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.54 -23.34 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.665 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -123.73 -14.37 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.486 -177.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 63.97 74.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.25 -177.449 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.01 -161.09 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.665 -178.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -67.91 54.29 0.07 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.789 0.328 . . . . 0.0 111.398 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.547 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.1 t -69.08 -47.05 77.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 -179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.11 -35.03 79.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 -178.336 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.92 -47.84 84.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.611 -174.067 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.671 ' HB ' HD21 ' A' ' 124' ' ' LEU . 22.0 m -58.42 -30.11 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.488 0.185 . . . . 0.0 111.383 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -64.17 -56.14 16.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 68.1 m-85 -62.55 -38.56 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.203 -176.059 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -56.46 -50.89 70.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.71 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 40.0 tp -64.99 -42.97 94.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.148 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.647 ' SD ' HD12 ' A' ' 64' ' ' ILE . 45.7 mtp -59.31 -33.71 71.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.04 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.556 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 12.2 mmt180 -75.45 -38.24 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.216 179.038 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 11.6 mm-40 -53.39 -36.54 61.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.265 0.555 . . . . 0.0 111.847 174.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 173' ' ' MET . 58.1 mt -66.66 -24.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.657 -177.472 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.556 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 83.6 mtm180 -53.62 -51.34 63.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.846 0.355 . . . . 0.0 111.363 -179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.5 m -63.99 -31.67 72.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.883 -177.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 120' ' ' LYS . 13.2 mptt -68.87 -42.58 76.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.612 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -73.74 -45.61 50.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.701 -177.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -177.733 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.9 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.494 0.188 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 90.5 mt-30 -57.99 -39.37 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.394 178.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.09 -51.62 65.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 177.377 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.07 -44.37 95.92 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.121 178.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.613 ' O ' HG13 ' B' ' 402' ' ' ILE . 38.4 mm -55.27 -50.67 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.563 0.221 . . . . 0.0 110.806 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 61.5 mtpt -61.53 -39.34 90.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.361 -177.059 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 403' ' ' ARG . 9.1 mm-40 -65.59 -39.27 91.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.777 177.621 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 175.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.638 HG12 ' HG ' ' B' ' 439' ' ' LEU . 67.8 mt -60.77 -51.18 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 177.139 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' B' ' 400' ' ' GLU . 36.9 mtm180 -57.31 -35.17 69.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.497 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -67.64 -44.96 76.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 82.9 mm-40 -72.93 -35.43 67.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 0.0 110.456 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 55.0 mt-10 -65.46 -35.6 81.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.434 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.5 -49.82 76.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.381 173.433 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -44.86 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.447 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.3 tm? -61.92 -48.05 82.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.71 -44.82 90.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.886 177.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -53.85 49.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.243 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -52.57 -53.81 41.43 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.591 0.356 . . . . 0.0 111.875 176.857 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.29 -50.22 74.38 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -77.19 -30.07 54.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.759 -172.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.04 -49.62 64.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.304 0.573 . . . . 0.0 110.022 178.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 44.8 mt -70.22 -32.61 70.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.217 -177.808 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.495 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 10.0 mt-30 -67.32 -9.84 45.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.836 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.14 -9.72 86.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.146 175.575 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.16 17.01 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.854 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.1 mt -102.97 129.51 54.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.03 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.86 137.32 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.959 0.885 . . . . 0.0 112.379 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.9 t70 -148.76 171.66 15.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.271 177.411 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 423' ' ' LEU . 0.2 OUTLIER -72.94 -24.75 60.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 118.916 0.78 . . . . 0.0 109.786 174.306 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 m -65.24 -38.55 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.201 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.737 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -70.42 -34.91 73.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.7 -172.734 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.737 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -72.98 -37.28 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.638 0.256 . . . . 0.0 110.311 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.15 -43.57 91.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.525 175.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.602 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.41 -37.13 82.61 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.937 -179.191 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.553 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 11.0 mt -56.64 -56.35 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.803 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 67.3 m95 -61.72 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.376 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 5.3 mm-40 -63.73 -54.32 37.26 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.2 177.382 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.1 t -56.49 -35.96 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.891 0.853 . . . . 0.0 108.962 177.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 28.3 tp60 -60.73 -58.72 7.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.408 -177.77 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.78 -26.53 65.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.727 -177.622 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 435' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.97 -52.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 173.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.9 tp -61.76 -44.83 96.12 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.041 -177.463 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.571 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.6 t -65.37 -40.82 94.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.034 -175.728 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.57 -36.21 80.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.638 ' HG ' HG12 ' B' ' 402' ' ' ILE . 31.4 tp -67.49 -37.0 82.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.372 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -62.71 -39.68 94.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.442 0.639 . . . . 0.0 109.691 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 2.7 tmt_? -66.97 -40.88 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.208 177.07 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -57.95 -31.96 67.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.083 176.549 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.6 tp -63.86 -43.64 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.371 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -80.65 -3.52 50.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.422 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -99.53 -30.79 11.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 110.491 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.474 -177.632 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 180' ' ' LYS . 1.1 pt? . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.76 -10.19 59.22 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.097 0.951 . . . . 0.0 109.599 173.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 7.7 mp -119.4 135.75 54.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.621 171.276 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -120.49 118.04 29.23 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.079 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' H ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -96.11 107.54 19.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.915 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.18 124.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.577 0.703 . . . . 0.0 111.417 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mt -113.31 128.75 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.532 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.6 mtt -89.9 104.57 17.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.247 0.546 . . . . 0.0 109.847 174.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 6.3 m -100.02 95.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.769 0.795 . . . . 0.0 111.978 -174.4 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.555 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -108.35 174.22 18.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 169.783 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.707 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 11.7 p -73.81 -95.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.748 0.774 . . . . 0.0 110.269 -174.526 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -52.55 12.99 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 173.342 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.92 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 164.33 102.34 0.17 Allowed Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.009 175.66 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 93' ' ' PHE . 57.1 t -92.51 -82.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.767 0.317 . . . . 0.0 110.295 177.524 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -121.01 12.73 9.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.907 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.92 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 51.5 pttt -72.39 -20.09 61.5 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.391 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -96.35 -31.18 13.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.338 172.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.57 -52.48 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.251 -174.893 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD11 ' OD1' ' A' ' 128' ' ' ASN . 83.1 mt -70.82 -35.72 72.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -170.831 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -66.16 -41.23 90.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -175.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.05 -34.91 77.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 177.331 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 1.001 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.0 mm-40 -64.24 -46.16 84.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.364 179.077 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -70.69 -22.29 62.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 51' ' ' TYR . 52.2 ttm -88.33 -52.74 5.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.265 -175.022 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 68.3 m-85 -121.75 -6.66 9.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -175.783 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 68.38 8.15 6.44 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 10.8 pt-20 -99.05 140.94 32.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 1.001 ' HA ' HE22 ' A' ' 33' ' ' GLN . 81.6 t80 -76.77 135.15 38.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -69.77 106.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 111.428 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.71 -48.14 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.044 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -155.86 94.84 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.036 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -152.22 105.12 3.02 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.805 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.9 mm-40 -100.89 -41.81 0.22 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.3 Cg_endo -44.78 116.76 1.25 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.686 2.257 . . . . 0.0 113.037 176.434 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -163.01 29.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.298 176.484 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -86.6 -57.81 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.965 -173.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.88 -2.01 7.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.306 0.574 . . . . 0.0 110.557 175.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.29 122.21 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.712 0.768 . . . . 0.0 110.956 -176.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 t -143.41 170.46 15.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.525 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 91.6 m-85 -134.6 136.05 42.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -171.357 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -75.45 106.19 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 -177.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -101.34 135.54 42.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 37.3 ttmt -109.82 140.05 44.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.53 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.63 -179.53 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.315 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.2 p -152.32 114.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.764 -0.585 . . . . 0.0 111.658 172.504 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.35 96.05 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 18.79 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 125.096 1.497 . . . . 0.0 113.909 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.12 -106.75 0.3 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.896 -178.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.8 pt-20 -103.51 151.55 22.73 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 94.1 mt-10 -62.47 120.75 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.379 0.609 . . . . 0.0 110.79 -178.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.26 144.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.314 -174.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.6 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 59.9 mt-30 -113.49 136.33 52.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.154 -177.382 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 ' SD ' ' A' ' 173' ' ' MET . 19.7 tt -113.85 140.75 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 32.4 t70 -115.29 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.96 -174.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.34 135.95 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.855 -175.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.6 tp -132.05 135.08 46.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.748 172.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -100.87 166.32 10.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 p -131.96 132.86 43.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -173.078 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 102.32 8.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -89.58 77.9 1.64 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.418 -172.403 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 75' ' ' TYR . 1.4 pp -155.51 170.18 22.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.507 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 1.6 mp0 -56.62 -38.86 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.703 0.627 . . . . 0.0 112.346 -173.134 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.97 -68.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.121 -175.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 78' ' ' ILE . 50.9 m-85 -79.96 62.1 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.276 -171.132 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.97 67.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.675 . . . . 0.0 110.204 174.235 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 81' ' ' ASN . . . -74.89 -6.78 51.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.823 -178.223 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.801 HG12 ' HB3' ' A' ' 75' ' ' TYR . 15.2 mm -96.85 -41.61 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -92.11 -65.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.048 0.452 . . . . 0.0 111.757 -173.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.82 -33.0 62.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.56 0.695 . . . . 0.0 110.974 -170.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.865 HD21 HD23 ' B' ' 416' ' ' LEU . 53.7 t30 -76.97 -19.51 57.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.915 -173.771 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 409' ' ' LEU . 4.6 m-85 -94.17 -13.03 27.12 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' HB2' HG21 ' A' ' 114' ' ' VAL . 16.6 m-85 -62.02 -22.97 66.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.223 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -51.65 -61.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.024 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.3 m -93.02 25.7 3.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -175.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.68 174.17 51.14 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.906 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 45.7 tt0 -141.59 -70.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -176.002 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.61 13.61 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.627 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.01 127.56 48.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.128 0.49 . . . . 0.0 111.267 -176.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 124' ' ' LEU . 91.5 mt -107.55 111.2 23.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.136 176.398 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' VAL . 96.0 mt -79.02 106.87 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.55 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HB ' ' A' ' 126' ' ' VAL . 14.9 m -111.8 114.67 47.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 0.0 111.092 -176.431 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.421 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -133.16 171.88 13.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.963 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -109.7 130.28 55.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.63 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -8.89 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.306 0.574 . . . . 0.0 110.119 -179.151 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.78 -40.4 48.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.05 -179.419 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -101.66 109.44 21.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.64 -26.1 67.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.138 0.494 . . . . 0.0 110.082 177.068 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.66 -47.52 84.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.45 175.1 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 m -59.33 -35.82 74.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.83 -35.19 78.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.227 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 m -66.34 -27.38 67.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.126 0.489 . . . . 0.0 111.309 -176.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.53 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.115 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.7 p -57.11 -40.41 77.01 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.83 -177.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.36 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.55 -48.46 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.081 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.412 ' O ' HG13 ' A' ' 111' ' ' ILE . 15.4 m-85 -57.73 -45.04 86.35 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.242 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -55.51 -52.34 64.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 -177.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.9 mt-10 -62.07 -45.5 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.637 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -55.92 -39.82 72.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.558 0.218 . . . . 0.0 110.952 179.264 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.4 mt -65.22 -52.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.806 177.743 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.18 -37.03 81.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.202 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 98.9 mtt180 -67.78 -32.61 73.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -97.97 -13.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.28 -87.4 0.48 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.167 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.47 -68.06 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.968 0.907 . . . . 0.0 113.248 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -84.48 44.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 111.933 -172.756 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.0 171.15 8.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.58 -68.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.572 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.583 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 73.3 mmtt -151.76 131.6 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.83 98.32 9.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.739 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 73.2 Cg_endo -90.19 130.95 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.263 2.642 . . . . 0.0 112.442 -178.554 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.528 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.9 mp -127.03 137.76 53.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.501 . . . . 0.0 110.743 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.8 tp -123.66 119.8 30.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.813 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -89.64 121.47 39.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.106 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.569 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.8 t -105.35 125.81 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.79 -176.578 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.47 91.42 1.42 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.901 177.196 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 157' ' ' THR . 43.9 m-80 -83.21 167.22 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.427 0.156 . . . . 0.0 110.739 -178.217 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.6 mmmt 64.98 14.92 9.66 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.929 0.768 . . . . 0.0 111.319 179.267 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -71.56 -7.67 49.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.991 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -86.27 17.47 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.595 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 135' ' ' ARG . 2.8 tp -94.48 -51.53 4.72 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 71.14 -56.62 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.986 0.914 . . . . 0.0 112.39 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.12 -55.7 5.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.561 ' HB2' HD21 ' A' ' 132' ' ' LEU . 72.7 mtt180 -115.21 47.83 1.25 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.043 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -63.9 112.27 2.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -88.36 -27.46 21.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.75 110.71 59.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.68 115.06 2.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.302 2.001 . . . . 0.0 110.409 173.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' HD2' ' A' ' 144' ' ' ARG . 21.2 t -59.62 -26.1 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.066 -175.127 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.33 -56.67 17.38 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.15 -21.94 55.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.743 0.306 . . . . 0.0 111.089 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.86 -41.55 91.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.029 0.442 . . . . 0.0 110.224 175.387 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.574 ' HD2' HG12 ' A' ' 140' ' ' VAL . 48.1 mtp180 -71.65 -31.84 67.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.138 177.156 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.7 t -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.6 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.3 mmtp -65.82 -29.94 70.49 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.029 178.71 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.85 -41.14 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 175.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -65.91 -36.2 82.74 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.733 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.1 -39.9 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.831 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -98.27 0.3 45.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.095 -175.197 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.07 38.49 88.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 25.8 m -126.08 -175.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -177.193 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.832 ' HG2' HD13 ' A' ' 124' ' ' LEU . 12.6 pm0 -112.97 153.07 28.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.157 176.055 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 94.0 t80 -122.5 125.76 46.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.608 177.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.6 133.0 62.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.101 -179.228 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.07 130.6 34.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 30.6 m -134.88 130.07 35.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.444 0.64 . . . . 0.0 111.339 -177.656 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 162' ' ' ARG . 10.2 p -106.8 132.64 52.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.853 178.533 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.93 -11.86 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.73 -176.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -85.04 -49.79 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.111 0.481 . . . . 0.0 109.87 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.41 -24.04 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.315 174.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 158' ' ' SER . 70.6 mtm180 65.48 85.49 0.14 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.509 179.075 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.45 135.04 29.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 69.02 10.9 8.15 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.79 0.681 . . . . 0.0 111.501 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.83 -43.83 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.281 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.64 -49.75 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 26.8 m -60.29 -25.71 34.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -175.128 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -75.66 -57.38 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.398 176.135 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 173' ' ' MET . 66.6 m-85 -66.38 -33.32 75.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.3 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.54 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.282 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.3 tp -73.11 -35.32 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.638 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.473 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.9 mtp -63.14 -30.84 71.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.561 -178.469 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 20.4 mmm180 -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.748 176.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.74 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 23.4 mt-10 -62.43 -35.17 78.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.836 176.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mt -55.93 -25.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.26 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -71.23 -49.37 44.01 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.3 m -62.72 -29.7 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.264 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.74 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 34.5 mmtt -66.77 -46.09 76.45 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.08 0.467 . . . . 0.0 110.021 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' A' ' 12' ' ' LEU . 44.4 mmtm -74.66 -35.7 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.267 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -175.162 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.424 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 42.6 mt-30 -66.05 -27.13 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.39 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.11 -54.91 33.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.619 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.95 -34.84 91.01 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.824 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.6 mm -64.54 -53.51 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.541 178.55 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.2 mttt -58.31 -43.66 88.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.419 -177.136 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 49.4 mm-40 -74.5 -37.27 63.16 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.272 176.089 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.6 mt -55.64 -53.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.376 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.507 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.4 mmm180 -62.93 -33.51 75.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.114 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 44.0 ttt180 -59.72 -52.25 66.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 176.528 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 66.9 mm-40 -73.45 -32.15 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.618 -176.711 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.546 ' CG ' HD21 ' B' ' 436' ' ' LEU . 48.7 mt-10 -60.16 -43.43 95.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.617 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.87 -43.31 75.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.831 177.216 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.4 mt -60.57 -52.22 66.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.094 -178.666 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.552 HD13 HG13 ' B' ' 432' ' ' VAL . 55.4 tp -66.63 -32.72 74.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -62.39 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.255 175.346 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.1 t -59.85 -51.88 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -51.94 -43.17 63.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 175.466 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.554 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 12.9 m170 -67.97 -38.23 82.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.67 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -77.6 -52.43 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.75 -53.57 56.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 111.611 -176.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.865 HD23 HD21 ' A' ' 81' ' ' ASN . 1.9 mp -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.337 -175.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 36.3 tt0 -67.38 -11.98 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.011 -176.388 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.18 5.96 84.19 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.341 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.77 9.25 57.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.269 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.93 126.98 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -133.24 144.09 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.93 0.872 . . . . 0.0 112.37 -177.389 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.7 t70 -151.53 168.61 24.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 173.062 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.63 -30.0 63.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.807 0.813 . . . . 0.0 109.254 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.3 m -68.08 -32.15 72.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.325 -178.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.741 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.09 -37.03 72.43 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.351 -172.858 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.741 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.4 pt-20 -74.36 -44.39 52.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.88 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 176.831 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.2 mmt180 -65.5 -39.48 91.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.019 175.537 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 10.1 mt -55.41 -52.68 62.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.577 0.548 . . . . 0.0 111.831 -176.492 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.623 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 86.9 m95 -70.77 -44.67 66.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.398 -176.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.25 -52.72 64.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.768 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.3 p -62.19 -34.04 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.43 -48.13 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.149 176.142 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.623 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.3 mpt_? -68.08 -39.74 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.767 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 34.8 mt -62.24 -42.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 178.688 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.546 HD21 ' CG ' ' B' ' 406' ' ' GLU . 2.8 tm? -57.78 -48.42 79.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.132 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.478 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.5 t -74.13 -32.49 63.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.966 -176.36 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.72 -36.12 82.71 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 109.949 175.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.685 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -62.18 -50.2 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.964 176.687 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -63.17 -29.2 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.319 0.58 . . . . 0.0 110.751 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -68.61 -46.0 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.333 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.6 mmmm -64.42 -27.84 69.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 177.555 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.66 -46.13 91.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -81.9 -5.98 58.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.997 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.9 tp10 -93.23 -10.58 35.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.282 0.563 . . . . 0.0 110.169 177.431 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.987 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.594 HD22 ' HE3' ' A' ' 180' ' ' LYS . 63.9 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 59.0 14.54 3.44 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 175.273 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 60.8 tp -150.97 148.22 28.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -137.5 143.27 41.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.673 ' CG ' ' HA2' ' A' ' 86' ' ' GLY . 13.3 tppt? -117.99 107.39 13.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.226 0.536 . . . . 0.0 111.348 174.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 26.9 m -117.65 138.19 49.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.778 173.289 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 89' ' ' PHE . 70.4 mt -127.85 126.01 65.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.218 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 59.8 mtt -93.24 135.42 34.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 m -132.5 143.61 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.309 176.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.44 83.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.744 -177.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.538 ' H ' ' HZ ' ' A' ' 107' ' ' PHE . 46.1 m 56.75 -154.38 0.34 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.037 0.492 . . . . 0.0 110.041 -177.31 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.43 -48.26 55.04 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.868 175.472 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.754 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 170.31 63.92 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.605 175.433 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.7 t -51.44 -67.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 O-C-N 123.949 0.44 . . . . 0.0 112.054 -176.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.22 3.93 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.155 -176.16 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 21.2 pttp -87.46 38.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.618 0.723 . . . . 0.0 111.586 -173.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -141.96 -44.07 0.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.161 173.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.35 48.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.73 -36.45 81.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.28 0.562 . . . . 0.0 110.59 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -49.73 67.91 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.219 -177.397 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 40' ' ' VAL . 20.8 tp -62.58 -35.76 80.54 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.061 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 57.2 mm-40 -56.47 -47.09 79.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.247 0.546 . . . . 0.0 110.868 176.151 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -72.93 -31.42 64.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 55.1 mtm -86.44 -56.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.166 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -110.77 -0.57 16.97 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t70 69.51 16.54 8.14 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 177.126 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -116.96 150.66 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.283 -177.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.08 150.81 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.865 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.422 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.5 p -71.81 102.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.895 0.855 . . . . 0.0 112.453 -173.306 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -101.0 -40.99 6.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.604 174.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.03 117.69 9.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.845 -177.151 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -171.58 91.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.774 173.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 53.1 mm-40 -78.77 -45.85 1.86 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.89 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 Cg_endo -59.71 104.36 0.22 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.636 1.558 . . . . 0.0 111.394 173.105 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 44' ' ' GLU . 9.1 t -156.11 13.64 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.253 -176.463 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -85.17 -59.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.375 -177.595 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.53 -5.48 5.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.384 173.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.54 145.73 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.522 -173.142 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.6 p -142.29 161.82 37.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.169 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 61.4 t80 -140.91 138.93 34.22 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.21 121.31 41.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.209 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -98.02 133.06 43.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.15 -177.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 35.8 ttmt -93.77 122.77 36.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.341 176.564 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.22 143.86 34.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.545 174.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -120.83 126.1 74.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.041 0.448 . . . . 0.0 110.351 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -108.52 95.98 6.03 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.231 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 46.67 31.31 1.36 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.217 0.948 . . . . 0.0 112.617 175.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.26 -109.47 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.816 -1.183 . . . . 0.0 114.011 -174.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -101.96 152.72 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -175.011 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 57.8 mt-10 -70.77 117.55 12.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.18 0.514 . . . . 0.0 109.875 178.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 13' ' ' ALA . 3.9 t -106.25 147.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.477 -174.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 88.4 mt-30 -113.02 129.92 56.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.319 0.581 . . . . 0.0 110.605 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 173' ' ' MET . 8.3 tt -111.64 122.13 65.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.372 175.08 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 25.6 t0 -99.72 110.85 23.23 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.22 138.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.69 0.281 . . . . 0.0 110.49 -174.394 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.699 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 50.6 tp -116.63 132.71 56.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.617 -177.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -101.43 111.24 23.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 p -83.73 159.9 21.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.76 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 110.74 21.53 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 173.068 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.54 65.34 4.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.708 -178.953 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -153.0 168.56 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 110.767 179.063 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.81 -21.12 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.7 -177.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.1 m-20 -58.98 -72.46 0.1 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.509 0.671 . . . . 0.0 111.395 -177.236 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.442 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.1 m-85 -80.61 68.34 6.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.061 -174.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.75 65.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 -7.21 37.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.268 178.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' A' ' 75' ' ' TYR . 49.0 mt -102.04 -22.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.0 109.826 176.679 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 79' ' ' ARG . 21.8 mtt180 -87.87 -65.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.25 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.49 -51.51 62.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.37 -170.685 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -69.41 -48.08 62.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.02 -173.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -66.5 -29.81 70.0 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.846 -175.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.2 m-30 -69.04 -31.59 70.49 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -174.738 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -59.37 -44.54 92.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.843 0.354 . . . . 0.0 111.397 -176.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.519 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 29.8 t -82.91 19.21 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -178.519 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.673 ' HA2' ' CG ' ' A' ' 16' ' ' LYS . . . -95.43 151.67 20.1 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.442 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 34.5 mt-10 -112.21 -68.95 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' VAL . . . -106.31 149.34 16.63 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' HB ' ' A' ' 18' ' ' ILE . 83.1 m-85 -129.52 148.09 51.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.107 0.479 . . . . 0.0 111.014 -176.833 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.7 mt -118.23 113.71 21.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.682 -178.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 125' ' ' VAL . 45.5 mt -86.95 106.85 18.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.717 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB ' ' A' ' 126' ' ' VAL . 20.3 m -111.67 115.65 50.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.429 0.633 . . . . 0.0 111.631 -175.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -139.37 159.44 42.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.468 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 p -111.96 141.86 45.08 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.136 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.751 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.34 14.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.814 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.485 ' CG2' HD22 ' A' ' 132' ' ' LEU . 32.0 p -102.1 -21.07 14.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 0.0 109.649 174.15 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -105.56 113.32 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.14 -176.402 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -71.81 -26.82 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.24 -57.88 10.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 11.9 p -67.54 -26.44 66.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -175.376 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.55 -49.46 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.573 176.465 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 m -72.11 -29.1 63.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.386 0.613 . . . . 0.0 110.373 177.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -70.1 -15.37 62.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.056 -178.353 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' SER . 41.3 p -57.62 -39.01 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 179.21 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.68 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.55 177.195 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -70.7 -45.71 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.919 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.538 ' HZ ' ' H ' ' A' ' 22' ' ' SER . 19.3 m-85 -57.5 -49.81 75.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.11 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -54.44 -57.42 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.84 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 35.1 mt-10 -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.381 -177.096 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 40.7 tp60 -71.25 -32.78 69.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.181 0.515 . . . . 0.0 110.401 178.502 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 121' ' ' ILE . 67.7 mt -73.83 -42.45 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.468 178.128 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 121' ' ' ILE . 6.7 mp -77.49 -5.2 49.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.212 0.529 . . . . 0.0 110.516 176.604 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 109' ' ' GLU . 19.3 tpp180 -78.5 -27.46 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.715 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.4 m -109.25 -25.2 3.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.959 -177.15 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 28.4 mtmt -125.5 154.65 41.77 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.847 0.356 . . . . 0.0 110.115 -178.021 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.112 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.23 4.62 24.9 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.582 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -59.56 -63.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 176.951 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' OD1' ' HD2' ' A' ' 179' ' ' LYS . 11.2 t70 -161.22 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 171.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.21 179.04 7.78 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 172.294 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 111' ' ' ILE . 76.6 mt -127.44 100.44 25.9 Favored Pre-proline 0 C--N 1.308 -1.226 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.387 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HB2' HD11 ' A' ' 172' ' ' LEU . 5.2 Cg_exo -77.61 108.17 2.52 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.3 2.667 . . . . 0.0 111.84 178.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 121' ' ' ILE . 4.2 mp -106.09 121.53 44.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.05 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.926 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -104.69 117.46 34.15 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.018 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.841 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -84.99 114.67 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.96 -178.78 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.621 ' HB ' HG12 ' A' ' 92' ' ' VAL . 43.7 t -108.78 109.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.524 -177.192 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.87 93.57 1.76 Allowed Glycine 0 CA--C 1.507 -0.447 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 176.752 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -88.97 166.1 14.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -175.29 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.537 ' HA ' ' OD2' ' A' ' 131' ' ' ASP . 9.9 mptt 63.9 58.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 -171.535 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.8 m -84.89 8.14 18.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.71 0.766 . . . . 0.0 109.153 170.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.537 ' OD2' ' HA ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -77.85 -21.61 51.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.668 -176.087 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -80.81 -54.66 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.683 -178.049 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 65.24 -74.26 0.05 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.713 0.805 . . . . 0.0 112.037 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.82 -12.52 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.11 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 57.1 mtt180 -86.07 9.69 16.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.906 0.384 . . . . 0.0 110.3 178.094 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.97 113.43 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.343 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -103.38 -18.97 14.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.176 0.513 . . . . 0.0 110.394 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.08 121.56 31.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.786 176.01 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.03 108.29 0.29 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -72.84 -13.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.846 -176.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 2.1 mp0 -56.88 -47.26 80.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.251 178.247 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.43 -24.42 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.758 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.8 75.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.101 0.477 . . . . 0.0 110.196 175.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.9 mtp180 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.999 174.521 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.507 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 15.4 t -68.78 -25.3 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.82 -178.073 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -63.2 -43.23 98.76 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.291 -0.256 . . . . 0.0 111.588 171.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.618 . . . . 0.0 109.597 174.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 32.4 tt0 -59.95 -38.35 82.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.888 175.437 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.84 -44.62 93.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.103 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -88.79 -8.52 54.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.895 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.63 38.52 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.518 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.68 -172.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.521 0.201 . . . . 0.0 110.946 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.926 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -108.56 147.46 31.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -117.68 126.3 52.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.647 174.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.43 120.43 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -84.11 134.37 34.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.7 p -126.21 130.29 50.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.409 0.624 . . . . 0.0 112.392 -175.252 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 42.9 t -93.95 110.74 22.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 171.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -91.32 -3.85 56.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.354 -173.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -96.06 -12.55 24.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.293 178.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.2 p -126.59 -8.78 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.361 0.601 . . . . 0.0 109.982 -177.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 62.99 77.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.584 -175.391 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -126.8 123.87 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.022 177.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 68.12 10.96 8.16 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.135 0.897 . . . . 0.0 111.528 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.6 t -72.01 -49.31 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 110.272 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.84 -30.5 71.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.574 179.337 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 60.5 tttp -60.33 -56.29 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.826 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.71 -27.14 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -74.63 -54.89 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.033 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -70.33 -34.77 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.329 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.5 OUTLIER -58.84 -51.37 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.347 -177.933 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 122' ' ' PRO . 49.7 tp -71.93 -37.4 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.577 -178.097 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 64' ' ' ILE . 46.1 mtm -58.41 -30.17 66.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.913 -178.644 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 174' ' ' ARG . 15.8 mmt180 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.048 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.04 -30.32 71.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.897 0.38 . . . . 0.0 110.531 177.244 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 173' ' ' MET . 64.3 mt -62.13 -36.9 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 176.174 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -59.86 -44.5 94.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.5 m -62.72 -32.19 73.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.42 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 68.2 mmtt -69.83 -37.63 76.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.096 0.474 . . . . 0.0 111.262 177.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.594 ' HE3' HD22 ' A' ' 12' ' ' LEU . 26.6 mtpp -76.0 -30.15 58.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.09 0.471 . . . . 0.0 110.438 177.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.461 179.908 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.499 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.3 m . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.95 0.405 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -60.24 -31.65 70.4 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.226 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.73 63.99 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 110.665 178.208 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -66.48 -39.39 94.03 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.017 178.283 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' B' ' 442' ' ' LYS . 50.0 mm -59.31 -51.3 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.299 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.11 -39.22 78.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.174 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.58 -43.69 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 176.533 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.525 ' HB2' HD11 ' B' ' 439' ' ' LEU . 53.5 mt-10 -65.97 -44.05 86.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.647 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.0 mt -53.46 -54.22 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.566 179.003 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.3 -29.31 68.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.733 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.22 -52.69 63.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.426 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.0 mm-40 -66.59 -28.29 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -177.602 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.53 -41.32 89.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.073 173.193 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -67.86 -52.12 40.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 178.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.419 ' O ' HD23 ' B' ' 412' ' ' LEU . 7.4 mp -56.41 -46.45 80.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 429' ' ' LEU . 26.9 tp -66.04 -37.42 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 110.259 179.011 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.41 -37.88 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.151 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 15.6 t -59.47 -53.02 62.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.449 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.419 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -57.26 -36.56 71.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.103 0.478 . . . . 0.0 110.774 175.578 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.6 m-70 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.693 -178.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -78.01 -44.53 26.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -59.48 -54.74 43.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 -175.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.646 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -70.89 -25.98 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.335 -175.214 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 38.0 tt0 -64.5 -16.64 62.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 -176.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.11 0.42 67.32 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.908 178.451 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 -3.99 34.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.503 176.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 11.4 mt -107.53 135.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 166.48 32.62 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.263 170.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 17.8 t70 -147.99 159.57 43.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 0.5 OUTLIER -64.2 -29.43 70.54 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.434 -175.473 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -64.55 -39.57 93.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 0.0 109.661 177.057 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 17.1 mttt -73.62 -43.47 59.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.793 -175.205 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 38.4 mt-10 -58.68 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -178.09 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.22 -34.86 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -68.3 -33.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.139 177.234 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 409' ' ' LEU . 11.9 tp -67.38 -40.22 85.68 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.217 -178.148 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.699 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 7.3 m95 -69.46 -44.17 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.808 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.426 ' O ' HG13 ' B' ' 435' ' ' ILE . 15.4 mm-40 -59.65 -52.69 64.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.725 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' B' ' 435' ' ' ILE . 14.7 p -60.76 -35.04 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.2 tp60 -57.86 -48.62 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.548 0.69 . . . . 0.0 110.258 174.512 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' B' ' 437' ' ' THR . 29.6 mtt180 -70.58 -27.15 63.89 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -71.83 -40.1 68.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.715 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' B' ' 440' ' ' LYS . 3.3 tm? -57.34 -46.01 83.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.395 172.573 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.616 HG22 ' HA ' ' B' ' 434' ' ' ARG . 5.1 t -74.27 -29.53 61.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.919 0.39 . . . . 0.0 110.666 -177.013 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.36 -35.69 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.493 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.911 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -65.74 -36.77 84.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.575 176.568 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 436' ' ' LEU . 46.6 mtpt -59.53 -36.5 76.25 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 109.551 175.626 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -67.66 -45.27 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.011 176.885 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.911 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.4 mtpt -57.85 -37.93 74.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.9 tm? -63.77 -44.96 91.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.25 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -81.61 -1.83 47.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.0 0.429 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -95.41 -21.5 18.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.53 178.515 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.241 -176.431 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.557 0.218 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.61 1.71 32.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.202 0.525 . . . . 0.0 112.359 -169.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.7 tp -128.27 123.1 33.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.462 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -119.95 134.65 55.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.292 -177.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 51.3 mmtt -111.32 110.17 20.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 64' ' ' ILE . 7.6 p -123.94 129.25 74.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.396 0.617 . . . . 0.0 111.118 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.22 116.0 51.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.735 176.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 ttt -90.16 118.16 29.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.167 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.57 171.8 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.22 0.534 . . . . 0.0 111.88 -173.003 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.69 -169.97 43.08 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -178.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -63.58 -65.33 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.111 0.455 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.82 -71.71 0.23 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.694 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.25 43.37 0.6 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.445 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 24.5 t -44.38 -63.87 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 O-C-N 124.521 0.777 . . . . 0.0 112.294 -176.095 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.4 10.12 1.11 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.678 177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 13.6 pttp -83.49 27.5 0.6 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.182 0.515 . . . . 0.0 111.039 -174.576 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -153.6 -38.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.248 0.547 . . . . 0.0 110.059 -172.215 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.26 14.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.489 177.516 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.04 -31.37 72.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.547 -174.116 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 66' ' ' ILE . 17.9 p -68.86 -36.23 77.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.336 -178.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 HG22 ' A' ' 40' ' ' VAL . 10.1 tt -64.43 -41.46 96.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 176.745 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -63.47 -35.53 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.33 -12.13 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.606 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.6 mtm -106.51 -50.07 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 111.61 -179.725 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 43.4 m-85 -93.22 -11.91 31.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.678 -174.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 24.6 t70 75.19 -28.35 0.19 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.392 0.677 . . . . 0.0 111.728 -178.675 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.87 170.43 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.996 0.427 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -87.14 147.45 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.346 -173.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 t -70.67 120.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.384 -177.053 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -108.44 -45.23 3.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.225 0.535 . . . . 0.0 109.903 173.696 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -146.14 112.3 5.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -173.19 91.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.5 mp0 -87.02 -54.52 0.38 Allowed Pre-proline 0 CA--C 1.538 0.482 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.873 -178.371 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 10.2 Cg_endo -49.56 102.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 123.421 2.748 . . . . 0.0 113.672 -173.416 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.569 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -165.15 52.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.343 176.117 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -86.89 -57.46 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.094 0.473 . . . . 0.0 110.675 -177.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.76 11.88 6.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.639 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.27 121.17 18.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.5 -170.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.2 p -96.7 139.81 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 1.1 p90 -129.91 121.9 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.463 0.649 . . . . 0.0 111.273 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -98.23 117.63 33.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.215 -177.036 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 57.1 tptt -111.63 128.61 56.11 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -90.24 125.69 35.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.5 m -136.68 145.13 30.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.4 p -106.48 102.5 14.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.736 0.779 . . . . 0.0 110.385 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -91.05 107.9 19.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.258 175.706 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 23.5 t70 78.42 -48.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.826 174.611 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.21 -55.08 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.002 -1.571 . . . . 0.0 114.981 -172.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.0 pt-20 -98.24 145.22 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.706 0.753 . . . . 0.0 111.824 -171.531 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -73.2 107.82 5.74 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.8 t -107.94 148.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.648 -175.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -113.47 119.39 37.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.416 0.626 . . . . 0.0 111.068 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 HD11 HG11 ' A' ' 17' ' ' VAL . 9.7 tt -106.4 119.73 56.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.476 176.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.8 114.63 28.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.652 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mp -108.04 129.37 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.51 . . . . 0.0 110.716 -174.017 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.1 tp -106.57 119.6 39.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.312 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 52.4 t0 -91.07 105.83 18.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.692 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 p -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.79 110.9 18.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.031 172.066 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 90.01 1.07 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.13 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -142.0 158.23 44.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.07 72.66 3.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 0.0 109.944 177.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.49 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.484 -178.406 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -77.34 73.05 3.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.25 -27.92 66.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 176.41 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.8 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -61.74 -28.72 69.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.568 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.885 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 76.7 mt -81.25 -40.63 18.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.644 0.259 . . . . 0.0 111.579 -175.396 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -90.84 -53.0 4.58 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.7 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.55 -55.28 6.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.066 0.46 . . . . 0.0 111.674 -175.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.8 HD22 ' HA ' ' A' ' 77' ' ' ALA . 53.8 m-80 -72.29 -31.11 65.44 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.03 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.885 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 10.2 m-85 -73.74 -28.43 61.69 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.0 m-30 -61.68 -23.89 66.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.556 0.217 . . . . 0.0 111.565 -177.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.75 -53.16 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.086 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.674 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 49.7 m -93.33 24.77 3.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 111.762 -177.446 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.11 141.85 15.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.659 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 41.6 mt-10 -96.42 -67.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.583 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -103.77 148.34 16.95 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.242 -177.869 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.7 m-85 -129.35 131.64 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.914 0.388 . . . . 0.0 110.747 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 74.9 mt -104.28 124.19 48.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.05 108.22 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.141 -178.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.873 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.8 m -117.24 135.58 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.268 0.556 . . . . 0.0 111.53 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -150.66 152.11 33.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.322 177.206 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.5 t -89.16 147.25 24.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.897 0.38 . . . . 0.0 109.993 178.337 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.739 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.62 1.35 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.539 ' CG2' HD22 ' A' ' 132' ' ' LEU . 11.4 p -93.11 -14.14 27.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.373 0.606 . . . . 0.0 109.703 171.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.78 101.41 12.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.643 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -78.23 -27.09 47.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.191 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.39 -52.49 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.463 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -60.64 -31.23 70.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.038 178.005 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.25 -42.87 96.23 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.937 0.399 . . . . 0.0 110.604 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.5 m -76.0 -31.82 59.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.302 0.572 . . . . 0.0 110.363 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.84 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.113 -177.407 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -52.92 -45.49 67.64 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.955 0.407 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.99 -34.64 76.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.46 178.399 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.43 -40.02 89.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.403 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -58.98 -47.17 86.11 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.34 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -57.63 -50.74 72.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.75 -40.94 85.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.341 179.097 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -64.88 -45.48 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 7.5 mp -68.11 -20.53 64.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.719 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.824 ' HE ' ' HA ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -59.09 -40.88 86.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 175.581 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.489 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -101.56 -21.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.328 -177.115 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -101.57 -91.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.968 -178.345 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 61.9 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.511 0.724 . . . . 0.0 112.939 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.16 54.91 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.344 0.592 . . . . 0.0 111.227 -173.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 20.3 mm-40 -105.33 -164.74 1.06 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.415 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.42 -72.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 171.076 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.652 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 71.2 mmtt -154.43 145.42 22.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.071 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.26 99.04 11.63 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 57.2 Cg_endo -75.85 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.538 2.158 . . . . 0.0 111.878 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 97.3 mt -116.78 156.06 27.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.446 -178.613 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tt -150.48 123.65 8.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.7 t -93.97 122.59 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -177.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.873 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.6 t -116.57 123.34 71.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -176.239 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.3 102.44 2.91 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.425 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 25.1 p30 -100.14 174.57 6.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.929 -0.16 . . . . 0.0 110.905 -176.326 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 25' ' ' VAL . 3.1 mptm? 66.56 26.6 9.83 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 123.602 0.564 . . . . 0.0 111.789 179.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -66.58 -0.37 2.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.061 0.458 . . . . 0.0 111.361 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.66 -33.69 75.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.867 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.539 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER -64.01 -39.68 94.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.366 178.344 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.03 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.778 175.16 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -76.82 -16.2 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 -172.228 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 77.5 mtp180 -84.58 8.35 16.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.512 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 36.4 ttp180 -62.64 114.06 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.379 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -91.0 -32.65 15.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.537 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.06 124.94 33.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.93 122.12 11.17 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.581 2.188 . . . . 0.0 111.723 178.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -67.02 -22.26 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.23 -178.357 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.04 -47.28 86.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.652 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.6 -23.46 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.32 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.26 175.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.0 mtp180 -63.38 -37.19 86.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.301 177.389 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.3 t -68.86 -24.5 64.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.102 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 26.9 mmtp -76.88 -34.49 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.046 -0.409 . . . . 0.0 110.59 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.61 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.63 -41.76 91.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.964 174.311 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.16 -43.8 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.168 -179.028 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -89.26 -4.89 58.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -175.069 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.27 35.13 34.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.53 177.366 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.33 -179.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.932 0.396 . . . . 0.0 111.094 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.79 161.76 13.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -130.85 117.88 19.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.85 136.29 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -175.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -91.62 127.16 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.144 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.3 p -136.54 159.75 40.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.235 0.54 . . . . 0.0 111.68 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -146.69 126.01 13.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.254 172.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.03 54.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.772 -177.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -64.09 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.377 -175.691 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.2 p -116.06 -14.61 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.583 -178.032 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 62.11 79.13 0.26 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.866 -179.232 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -129.37 116.03 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -178.151 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 56.87 27.42 12.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.469 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.483 ' O ' HG22 ' A' ' 168' ' ' VAL . 92.8 t -68.17 -43.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.151 178.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.86 -34.21 75.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -59.88 -44.66 94.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.219 -171.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.7 m -61.73 -27.14 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.606 0.241 . . . . 0.0 111.408 -175.081 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.11 -44.35 47.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.515 176.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -67.22 -46.37 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.251 -178.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -55.83 -51.38 67.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 110.606 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.7 tm? -60.91 -42.46 98.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.821 179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 60.3 mtm -64.47 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.172 -0.33 . . . . 0.0 111.815 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -68.45 -44.08 75.67 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 16.3 mm-40 -54.8 -45.88 74.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.753 0.311 . . . . 0.0 110.859 172.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 172' ' ' LEU . 66.2 mt -58.01 -36.92 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.204 179.555 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -56.57 -51.89 66.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.041 0.448 . . . . 0.0 110.54 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -70.11 -38.58 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.057 -177.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -62.76 -38.37 90.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.343 178.473 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 30.2 mtpp -74.32 -29.56 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.547 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 C--N 1.325 -0.46 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.715 -179.651 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.456 0.646 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -64.89 -26.33 68.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.246 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.41 15.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.821 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.43 -38.16 94.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.267 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.583 ' O ' HG13 ' B' ' 402' ' ' ILE . 19.3 mm -60.96 -53.24 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.732 0.301 . . . . 0.0 110.531 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.43 -45.98 87.39 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.029 -175.012 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.45 -38.55 91.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.669 0.271 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 13.2 tp10 -71.96 -31.98 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.065 177.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 398' ' ' ILE . 76.4 mt -61.27 -48.61 88.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.748 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.05 -37.37 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 0.0 110.626 176.591 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 44.4 ttt180 -67.47 -46.62 72.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.849 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -69.21 -37.83 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' B' ' 436' ' ' LEU . 57.0 mt-10 -61.91 -35.08 77.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.455 177.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -68.87 -46.32 68.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 175.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' B' ' 432' ' ' VAL . 78.5 mt -62.6 -48.91 77.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.069 0.461 . . . . 0.0 110.723 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.575 HD23 HG13 ' B' ' 432' ' ' VAL . 3.1 tm? -66.19 -31.99 73.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.038 179.468 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.4 -42.14 92.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 175.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.4 t -59.59 -54.58 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.1 mm? -56.57 -30.62 63.36 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 111.22 178.438 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -69.5 -44.8 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.389 176.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 97.1 mtt180 -76.92 -50.37 13.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.512 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.99 -48.28 82.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 111.781 -175.299 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 425' ' ' LYS . 7.8 mp -66.99 -25.32 66.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.317 -175.802 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 7.1 mt-30 -54.22 -29.33 46.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.427 177.503 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.3 -6.39 75.03 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.522 -176.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.18 13.45 58.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.379 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.3 mt -84.16 116.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.0 pttp -117.87 146.74 43.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.017 0.913 . . . . 0.0 112.702 -175.198 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.464 ' O ' ' HE3' ' B' ' 425' ' ' LYS . 17.3 t70 -150.88 169.27 22.12 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 171.726 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -72.07 -32.45 67.06 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.21 173.734 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 33.1 t -64.66 -40.59 95.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.539 -178.461 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.698 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.67 -39.14 91.02 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.626 -170.748 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.698 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.8 pt-20 -73.87 -41.79 61.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.429 -179.517 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 46.3 mt-10 -63.44 -45.13 92.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.509 ' O ' HG12 ' B' ' 432' ' ' VAL . 27.3 mmt180 -64.26 -35.4 80.71 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.052 177.744 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' B' ' 429' ' ' LEU . 0.7 OUTLIER -56.34 -56.07 25.65 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 123.238 0.336 . . . . 0.0 110.754 -178.276 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.674 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 38.8 m95 -68.82 -30.85 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.634 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 30.9 tt0 -64.13 -57.32 9.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.366 -177.206 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -64.85 -34.12 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.313 0.577 . . . . 0.0 109.79 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.79 -53.34 58.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.342 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.634 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -66.93 -28.48 68.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.371 -177.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.2 mt -70.53 -52.05 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.917 175.787 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' B' ' 406' ' ' GLU . 21.7 tp -56.56 -42.35 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.4 t -71.1 -40.13 71.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.824 -176.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.375 0.607 . . . . 0.0 110.141 176.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' B' ' 402' ' ' ILE . 44.7 tp -67.9 -42.81 80.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.257 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.99 -30.93 71.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.401 0.619 . . . . 0.0 109.679 174.562 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 1.1 tmt_? -67.43 -45.08 77.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.375 175.647 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -61.24 -28.91 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 177.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.03 -45.05 94.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.268 174.839 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -76.72 -12.94 60.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.2 tp10 -86.72 -9.98 54.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.819 178.3 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.316 178.185 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 177' ' ' ARG . 1.7 pt? . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -91.14 13.61 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.397 0.618 . . . . 0.0 111.078 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -139.34 118.8 12.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.062 176.117 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 26.3 m-70 -116.75 136.46 52.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 -177.597 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -113.52 106.83 15.02 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.417 177.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.6 t -109.19 110.49 32.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.849 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.5 120.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.504 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.8 mmm -89.75 108.61 19.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.408 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -94.88 153.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -176.282 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.83 -179.89 48.81 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.6 m -145.99 16.93 1.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.538 0.685 . . . . 0.0 109.797 -175.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.29 -169.82 38.91 Favored Glycine 0 N--CA 1.436 -1.318 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.793 -177.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.22 67.94 0.71 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.79 -1.195 . . . . 0.0 112.622 -178.077 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 94' ' ' SER . 68.0 t -66.73 -41.19 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 174.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.96 28.65 0.49 Allowed Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -176.635 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -74.0 -18.66 60.83 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -174.359 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -88.11 -15.11 37.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.417 . . . . 0.0 111.028 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.08 43.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.09 0.472 . . . . 0.0 110.69 178.024 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.705 -175.34 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 p -66.86 -39.75 87.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.255 -177.209 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.15 -41.16 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -69.36 -27.1 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.519 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 71.9 t80 -61.02 -36.38 79.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 176.436 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 ttm -94.28 -53.76 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.917 -176.167 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.68 -21.06 15.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.4 t70 66.48 16.81 10.52 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.982 0.896 . . . . 0.0 110.437 -175.112 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.03 147.16 25.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.734 177.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -78.79 148.07 33.06 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.94 105.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 0.0 111.183 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -104.44 -35.24 7.98 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 175.431 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -144.4 99.46 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.609 176.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -158.88 93.36 1.16 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.066 176.45 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 34.2 tt0 -82.59 -61.4 0.34 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.925 -174.185 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 50.6 Cg_exo -51.53 -90.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.926 2.417 . . . . 0.0 115.538 -162.527 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.478 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 17.7 p 47.53 25.87 0.71 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.883 0.473 . . . . 0.0 111.688 -168.662 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -87.08 -59.32 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.77 25.76 6.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.499 169.542 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 45' ' ' PRO . 6.4 t70 -91.13 111.26 22.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.595 -172.266 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -122.83 155.81 35.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.213 177.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.2 105.29 3.62 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.05 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -80.02 123.29 27.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.446 -168.372 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 52.2 tptt -101.19 127.56 47.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.303 178.252 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.12 129.05 34.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 62' ' ' VAL . 3.4 m -133.48 149.08 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.46 -179.087 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' GLU . 14.1 p -153.02 132.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.878 175.646 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.37 98.81 5.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.918 175.679 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.32 29.28 17.89 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.704 0.628 . . . . 0.0 112.215 176.2 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.27 -133.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.5 -1.333 . . . . 0.0 114.369 -177.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 pt-20 -92.28 152.78 19.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.688 -174.456 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.3 109.16 2.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.327 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 55' ' ' VAL . 11.5 m -106.76 179.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.9 134.66 31.93 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.797 -171.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.492 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 10.4 tt -108.6 112.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.597 0.713 . . . . 0.0 109.744 172.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -103.08 126.94 50.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.549 -177.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.44 137.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -167.706 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 tp -126.77 111.75 14.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.548 171.195 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -98.24 99.37 10.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.2 m -58.42 136.35 57.44 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.772 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.08 43.3 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.523 179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.29 46.17 3.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.369 -178.875 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -154.57 160.76 41.69 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.374 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -84.82 -23.01 29.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.018 -177.564 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -47.91 -64.67 0.73 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.657 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.27 72.3 4.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.167 -175.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.1 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.699 176.696 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.283 174.296 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.684 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 19.5 mt -91.36 -22.0 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.92 -179.037 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 40.1 mtp85 -92.64 -66.44 0.92 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.509 -179.219 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.2 -52.45 9.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.698 -174.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.783 HD22 ' HA ' ' A' ' 77' ' ' ALA . 51.8 m-80 -72.15 -24.63 61.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.531 -170.422 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.684 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -88.29 -26.99 22.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.603 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HB2' HG21 ' A' ' 114' ' ' VAL . 13.6 m-30 -65.8 -14.59 61.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.866 0.365 . . . . 0.0 111.857 -175.629 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 22.0 mmm180 -54.65 -64.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -176.239 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.594 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.1 m -91.96 27.09 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -171.164 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.35 175.18 34.42 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.978 176.214 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.559 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 50.1 mt-10 -111.88 -75.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.19 0.495 . . . . 0.0 110.499 177.502 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -108.9 155.09 16.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.4 -174.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -126.75 128.01 45.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -177.04 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 124' ' ' LEU . 66.6 mt -96.99 113.31 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.712 175.126 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 125' ' ' VAL . 50.2 mt -81.26 106.86 13.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -109.29 108.59 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 111.082 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -125.86 163.42 22.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.146 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.605 ' HB2' HG13 ' A' ' 25' ' ' VAL . 41.7 t -93.46 128.63 39.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.372 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 10.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.433 0.635 . . . . 0.0 110.747 -177.246 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' THR . . . . . 1.039 HG21 HD22 ' A' ' 132' ' ' LEU . 63.0 p -113.54 -13.49 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.259 174.314 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -112.33 102.47 10.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.625 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -72.36 -16.92 61.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.614 0.245 . . . . 0.0 111.147 -174.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.43 -54.69 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.691 0.281 . . . . 0.0 110.688 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 p -67.39 -27.17 66.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.902 0.382 . . . . 0.0 110.693 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.1 t80 -62.52 -38.88 91.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.361 173.494 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.4 m -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.268 0.556 . . . . 0.0 110.175 179.146 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -15.26 62.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.901 -177.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 47.5 p -56.85 -38.49 72.75 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.706 0.288 . . . . 0.0 111.425 -178.464 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.8 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.54 -35.26 73.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.661 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -57.39 -51.36 69.71 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.204 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.98 -52.2 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.285 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.8 mt-10 -57.25 -45.28 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.742 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -57.87 -39.5 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.0 110.326 -176.545 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.7 mt -61.44 -45.48 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.049 178.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 8.0 mp -71.54 -20.01 62.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 94.6 mtt180 -79.24 -42.45 25.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.628 0.252 . . . . 0.0 111.1 178.148 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.9 m -80.03 -28.87 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.508 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 55.4 mttm -98.09 -82.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.293 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.62 -71.0 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.612 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -87.16 61.46 6.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 111.22 -175.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.695 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 21.5 mm-40 -105.67 -168.22 1.42 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.415 179.143 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.9 -62.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.229 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -150.41 139.47 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.837 177.191 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mt -115.03 99.16 51.91 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.415 -177.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.61 ' HG2' HG12 ' A' ' 176' ' ' ILE . 6.5 Cg_endo -88.47 125.26 1.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.453 2.768 . . . . 0.0 112.743 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.14 161.22 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.51 ' HG ' ' HG2' ' A' ' 153' ' ' GLN . 4.1 tt -148.59 129.81 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 174.831 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 HD12 ' A' ' 91' ' ' LEU . 20.2 t -91.26 113.53 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 0.0 110.282 -178.263 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.24 112.32 39.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.661 -177.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.3 134.93 13.49 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.983 175.291 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 13.0 t-20 -124.53 173.45 8.46 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.262 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 31.7 mmtm 68.89 23.94 6.6 Favored 'General case' 0 CA--C 1.521 -0.144 0 O-C-N 123.662 0.601 . . . . 0.0 110.73 -173.525 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.9 m -67.53 -2.49 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 176.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.84 -28.7 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 1.039 HD22 HG21 ' A' ' 96' ' ' THR . 8.5 mp -64.26 -45.05 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.406 175.2 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 65.27 -77.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.023 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.74 -23.27 58.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.929 0.395 . . . . 0.0 111.082 -175.023 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.757 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 41.8 mtt180 -85.12 17.76 2.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.291 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -61.16 114.49 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.036 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.618 ' H ' ' HA ' ' A' ' 96' ' ' THR . 46.7 mt-30 -104.8 -13.45 15.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 -179.623 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 109.6 45.82 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 169.6 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.02 118.24 5.08 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.124 1.883 . . . . 0.0 111.329 177.538 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -27.35 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 21.3 mp0 -56.91 -48.96 76.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.766 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.14 -29.71 34.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -61.52 -49.11 78.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.54 176.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -65.97 -39.97 90.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.055 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.8 t -54.67 -43.98 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.167 -177.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -60.47 -50.54 73.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.498 0.19 . . . . 0.0 111.506 176.863 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -58.12 -43.7 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.86 -39.66 94.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.42 -34.94 75.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -178.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -80.97 -13.26 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.63 31.2 24.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.404 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.07 -177.57 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 111.077 179.489 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.51 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -103.15 144.82 30.81 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.091 177.686 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.403 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 87.0 t80 -115.17 113.75 24.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.683 173.433 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 168' ' ' VAL . 2.2 p -139.52 128.98 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.402 177.43 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.07 160.83 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.584 -174.38 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.6 p -132.82 129.99 39.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.017 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.8 p -108.09 119.97 41.0 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -94.06 -11.65 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.511 -172.427 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -74.94 -29.26 60.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.364 0.602 . . . . 0.0 110.121 178.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -116.59 -12.11 10.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 63.79 80.88 0.22 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.136 -175.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.32 131.07 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.249 175.691 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 66.82 13.42 9.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.694 0.797 . . . . 0.0 111.831 -177.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.87 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.573 0.225 . . . . 0.0 110.956 -176.041 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 5.5 p-10 -71.43 -24.17 61.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.126 0.489 . . . . 0.0 110.555 178.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -58.58 -47.53 83.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.544 -177.48 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.437 HG12 HG13 ' A' ' 155' ' ' VAL . 35.2 m -69.17 -30.29 45.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.522 -176.535 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -70.98 -47.69 57.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.865 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.99 -39.83 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.291 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.23 -50.71 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.437 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.9 tm? -59.12 -46.43 88.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.725 178.222 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 66.9 mtm -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.617 0.246 . . . . 0.0 111.373 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.507 ' NH1' ' HE ' ' A' ' 177' ' ' ARG . 3.1 mmm180 -65.56 -43.76 88.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.491 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 5.5 mt-10 -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.602 175.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.61 HG12 ' HG2' ' A' ' 122' ' ' PRO . 64.1 mt -60.26 -39.52 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -178.638 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.507 ' HE ' ' NH1' ' A' ' 174' ' ' ARG . 7.2 ptt180 -66.59 -31.73 72.62 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.155 -179.095 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.7 m -69.92 -33.72 72.53 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.133 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.5 mptt -66.54 -48.44 69.7 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.485 176.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -65.36 -26.0 67.82 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 C--N 1.325 -0.494 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.344 174.955 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.544 ' O ' HG12 ' B' ' 398' ' ' ILE . 15.7 m . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.83 -34.91 70.18 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 -177.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.14 -55.64 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.197 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.6 91.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.02 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 394' ' ' THR . 47.9 mm -63.12 -51.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.802 0.334 . . . . 0.0 110.787 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' B' ' 402' ' ' ILE . 9.6 mtpm? -61.89 -39.36 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.475 -177.401 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -65.03 -41.54 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.388 176.194 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' B' ' 439' ' ' LEU . 2.7 tp10 -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.369 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.713 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.6 mt -53.56 -53.12 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.472 174.755 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' B' ' 406' ' ' GLU . 26.6 mmt180 -62.99 -35.46 80.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 -178.547 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD3' ' OE1' ' B' ' 401' ' ' GLU . 68.2 ttt180 -59.38 -46.54 88.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.635 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.5 mm-40 -72.21 -34.14 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.411 -179.603 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' B' ' 403' ' ' ARG . 38.0 mt-10 -60.12 -45.18 93.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 175.026 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.63 -47.38 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 177.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 49.3 mt -57.34 -52.16 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.116 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.696 HD23 HG13 ' B' ' 432' ' ' VAL . 0.5 OUTLIER -62.17 -42.39 99.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.622 179.165 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.531 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 52.7 t30 -59.21 -56.49 21.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.0 m -61.12 -43.19 99.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.735 -177.01 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' B' ' 429' ' ' LEU . 13.0 mt -59.1 -51.99 67.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.052 177.779 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 0.9 OUTLIER -66.93 -31.04 71.35 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.708 -177.529 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 55.0 mtm180 -64.76 -45.77 84.98 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.61 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.29 -38.55 85.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.965 -177.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 97.2 mt -62.2 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.245 -179.147 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.54 -10.22 59.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.57 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -88.05 5.8 84.35 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.406 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.3 14.77 58.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.042 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.4 mt -102.61 128.05 55.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -151.64 147.76 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.54 0.686 . . . . 0.0 111.8 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.723 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 16.2 t70 -150.21 171.24 17.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.805 -178.437 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 8.8 mp -70.53 -31.44 68.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.709 0.766 . . . . 0.0 109.688 173.396 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -63.73 -35.13 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.138 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.9 pptp? -71.16 -42.06 69.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.583 -174.849 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.62 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.8 pt-20 -67.52 -41.16 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 110.305 -175.204 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 15.6 mm-40 -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.926 179.476 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 432' ' ' VAL . 22.7 tpt180 -67.05 -41.97 85.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 -177.703 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 412' ' ' LEU . 5.9 mp -54.63 -53.24 57.32 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 123.108 0.255 . . . . 0.0 111.262 176.806 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 89.7 m95 -63.15 -30.12 71.33 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.386 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.632 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 64.3 mt-10 -66.16 -56.56 10.8 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.853 175.401 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.696 HG13 HD23 ' B' ' 409' ' ' LEU . 2.4 p -64.65 -33.57 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 -179.355 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -56.03 -51.93 66.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.418 174.597 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.632 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 3.5 ptm180 -67.09 -26.68 66.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.125 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 32.4 mt -77.78 -40.5 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.327 177.773 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.53 -40.74 83.8 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 177.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -74.92 -33.43 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.74 -39.29 93.38 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.238 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.713 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.3 OUTLIER -61.01 -38.65 86.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.059 177.436 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.45 -49.02 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 176.456 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.502 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.4 OUTLIER -61.87 -44.93 95.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.741 179.943 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.449 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.0 tp -64.06 -40.48 96.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.98 -7.21 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.016 0.436 . . . . 0.0 110.816 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.502 ' HB2' HH11 ' B' ' 441' ' ' ARG . 42.5 tt0 -94.44 -26.35 16.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 178.237 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.81 -178.408 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.639 0.257 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -96.21 7.07 47.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.46 0.648 . . . . 0.0 110.56 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 32.4 tp -130.45 127.69 39.75 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.565 179.064 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -137.22 141.53 42.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.518 -177.292 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -116.39 131.4 56.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 172.754 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.14 117.96 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.606 0.717 . . . . 0.0 110.178 177.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.408 HD12 ' CE1' ' A' ' 89' ' ' PHE . 59.7 mt -108.99 122.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.897 -177.807 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.727 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 18.6 mmt -81.16 122.89 27.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.539 174.714 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 90' ' ' LEU . 26.8 m -96.52 155.99 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 111.171 -177.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.52 160.9 26.5 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.6 m -134.75 -71.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.728 0.264 . . . . 0.0 110.656 178.772 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.06 -66.38 1.81 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.875 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.64 2.97 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.082 177.835 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 27' ' ' LYS . 60.0 t 67.54 99.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.35 0.595 . . . . 0.0 111.051 -178.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 28' ' ' SER . . . -57.54 -60.61 8.69 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.805 176.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 22.2 pttm 58.39 -16.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.152 1.781 . . . . 0.0 115.197 170.467 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 26' ' ' GLY . 5.7 m -90.21 -12.68 37.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.043 0.449 . . . . 0.0 110.774 -177.816 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.68 -48.97 34.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.533 -178.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.72 -34.28 76.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.682 -172.337 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' MET . 18.4 p -67.94 -39.52 83.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.294 -176.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -68.37 -40.91 81.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.772 177.543 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.5 mm100 -61.81 -37.6 85.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.008 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.98 -36.56 80.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.987 -176.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.435 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 7.7 ptp -78.37 -50.44 11.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.572 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 89.7 m-85 -89.46 -86.43 0.19 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.377 -178.395 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 30.5 t70 163.01 -36.09 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.086 0.866 . . . . 0.0 109.956 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.12 162.74 13.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.909 -171.879 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 59.8 t80 -75.75 132.16 40.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.083 -169.102 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.7 p -89.02 131.94 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.194 176.705 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.39 -33.53 3.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.826 -177.11 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -119.66 93.09 3.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.105 0.478 . . . . 0.0 110.921 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -171.29 98.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.28 174.407 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.9 mm-40 -114.54 -35.35 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.184 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' CD ' ' H ' ' A' ' 44' ' ' GLU . 31.7 Cg_exo -59.52 95.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.382 1.388 . . . . 0.0 112.592 176.091 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 3.0 p -131.64 27.51 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -75.09 -57.46 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -176.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -126.14 17.19 7.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.453 -177.259 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.33 165.97 10.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.473 -175.281 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -153.58 150.99 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.154 0.502 . . . . 0.0 110.245 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -139.79 126.68 20.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.026 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -96.33 156.19 16.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.203 0.525 . . . . 0.0 111.445 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 51.5 tptt -134.66 127.81 31.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.016 177.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.28 122.36 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 153.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.7 p -125.92 115.29 42.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.516 0.674 . . . . 0.0 110.686 177.219 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.42 99.06 11.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.585 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 72.79 -51.21 0.71 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.286 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.03 -64.22 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.758 -1.21 . . . . 0.0 114.764 -170.031 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 pt-20 -97.21 144.7 26.77 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 117.654 0.727 . . . . 0.0 111.724 -172.637 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 124.96 25.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.475 -177.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -108.05 143.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.444 -175.249 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.1 135.44 53.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 0.0 110.438 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.1 125.98 65.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.6 -178.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.58 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 8.1 m-20 -90.95 121.05 32.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.313 178.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.7 mt -108.12 125.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 82' ' ' TYR . 33.4 tp -131.02 139.39 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.119 0.485 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 29.5 t70 -111.29 153.33 26.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 p -130.17 153.66 48.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -170.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 134.58 50.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.861 170.742 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -128.44 25.37 4.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.552 -175.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -74.06 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 111.907 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.86 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.37 -68.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.016 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 75.8 m-85 -83.09 54.02 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.831 -174.299 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.07 66.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.234 0.54 . . . . 0.0 110.022 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.44 -13.71 53.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.866 178.701 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 75' ' ' TYR . 50.2 mt -93.3 -30.24 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.072 0.463 . . . . 0.0 110.334 178.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -88.24 -60.65 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 -178.237 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -56.68 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.761 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 90.9 m-20 -59.24 -35.41 73.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 m-85 -77.32 -22.89 51.23 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.024 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 13.5 m-30 -64.52 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.257 -177.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.37 -37.09 74.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -171.285 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -112.1 44.0 1.49 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.376 -173.77 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.18 138.56 10.09 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.018 175.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.0 mp0 -79.59 -65.56 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 110.236 178.833 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.13 146.23 18.09 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.929 -173.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' HB2' HD23 ' A' ' 123' ' ' LEU . 91.1 m-85 -132.2 131.63 42.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.1 mt -103.47 115.44 30.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.84 105.67 17.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 172.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 128' ' ' ASN . 60.8 t -117.07 113.13 41.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.129 -176.256 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 36.5 p90 -126.25 148.83 49.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.449 -177.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' SER . . . . . 1.017 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -84.87 143.59 28.94 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.633 HG21 HH21 ' A' ' 136' ' ' ARG . 0.2 OUTLIER -74.07 7.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.957 0.408 . . . . 0.0 111.301 -177.49 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 135' ' ' ARG . 21.0 p -117.56 -6.04 11.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.232 175.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 1.017 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 20.5 mm-40 -106.47 101.81 11.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -177.706 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -69.49 -25.48 64.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.705 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -56.55 -54.3 47.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 3.8 m -66.3 -34.54 78.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.789 -177.114 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.19 -42.59 88.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.256 0.55 . . . . 0.0 110.62 -179.163 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.93 -15.76 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.177 -176.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -55.55 -45.43 77.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.509 -178.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.33 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.593 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.76 -39.11 84.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.3 -46.65 79.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.54 0.209 . . . . 0.0 110.464 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.33 -56.98 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.38 179.255 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 32.0 mt-10 -63.94 -42.17 97.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.027 -176.602 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -63.35 -37.08 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.281 -178.736 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.48 -46.33 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.192 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.29 -7.9 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -76.36 -30.56 57.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 176.432 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 115' ' ' LYS . 19.9 m -115.14 0.37 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.868 -176.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 83' ' ' PHE . 13.0 mmmm -129.4 -149.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.556 -176.45 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.77 11.54 3.14 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.567 0.747 . . . . 0.0 112.384 173.087 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.8 31.93 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.377 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.51 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 2.9 pt-20 -129.15 -164.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.477 -173.064 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.5 -59.43 2.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.737 -179.524 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HG2' ' HD2' ' A' ' 179' ' ' LYS . 56.0 tptt -163.04 134.82 5.11 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.75 0.309 . . . . 0.0 110.85 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 115' ' ' LYS . 54.9 mt -95.47 109.54 46.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.728 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HG3' ' HG3' ' A' ' 179' ' ' LYS . 2.6 Cg_exo -76.04 108.1 2.61 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 176.699 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 89' ' ' PHE . 69.8 mt -103.74 152.01 22.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.565 178.454 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 125' ' ' VAL . 5.8 tp -150.96 129.03 11.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.834 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.596 ' N ' HD12 ' A' ' 124' ' ' LEU . 25.4 t -103.14 123.03 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.975 179.177 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.09 133.89 65.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -175.669 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.58 107.14 3.32 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.842 176.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' SER . 9.8 t30 -95.08 155.13 16.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.585 0.231 . . . . 0.0 110.895 -176.384 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 67.52 24.64 8.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.285 175.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.3 m -74.29 47.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -121.41 -14.2 8.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.747 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.34 -44.73 64.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.539 -179.518 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.63 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.397 176.609 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.59 -33.83 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.679 0.276 . . . . 0.0 111.513 -174.166 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 96' ' ' THR . 64.6 mtt180 -89.41 8.48 30.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.669 -176.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.633 HH21 HG21 ' A' ' 95' ' ' ILE . 26.8 ttm180 -56.36 112.88 1.37 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.558 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.85 -36.46 19.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.219 -174.247 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.5 p -106.45 123.95 37.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 43.7 Cg_exo -56.85 120.1 7.8 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 111.883 179.424 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -75.07 -16.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.307 0.575 . . . . 0.0 109.616 -177.632 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.05 -50.05 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.18 178.248 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 9.0 pt-20 -76.87 -29.6 55.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.225 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.0 81.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.412 176.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.6 mtp180 -61.15 -47.8 84.53 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 174.235 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.535 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 7.8 t -68.0 -21.78 65.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.948 -175.598 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.501 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 46.9 mmtt -66.56 -50.65 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.677 174.748 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -59.51 -36.62 76.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.403 0.62 . . . . 0.0 109.727 173.621 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 45.1 tt0 -61.01 -47.44 86.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.051 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 145' ' ' SER . 45.2 mt-10 -60.52 -41.27 94.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 111.288 177.895 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -81.07 -9.39 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.796 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.64 31.68 32.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.005 177.174 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.469 HG23 ' HB1' ' A' ' 147' ' ' ALA . 12.5 m -124.21 178.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.621 0.248 . . . . 0.0 110.883 178.759 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.528 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.4 pt20 -92.36 156.83 16.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 78.3 t80 -130.58 119.26 22.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.018 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.41 133.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.765 -176.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.3 p -132.31 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.322 0.582 . . . . 0.0 111.502 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.0 t -130.57 118.39 20.96 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.424 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.9 -18.93 60.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.525 -176.079 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -78.22 -48.68 15.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.981 0.419 . . . . 0.0 110.455 -178.201 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.8 p -81.71 -18.25 45.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.633 178.023 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 63.4 67.73 0.64 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.17 178.118 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.96 136.9 46.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.559 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 72.5 -2.73 2.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.05 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 59.4 t -66.98 -35.64 75.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.271 0.558 . . . . 0.0 109.67 179.384 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.46 -36.51 79.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -72.53 -53.65 11.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.539 -173.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.27 -35.74 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 45.6 m-85 -74.03 -55.64 5.89 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.042 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.534 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 20.8 m-85 -61.59 -39.6 91.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.425 -175.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.63 -50.95 71.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.679 0.276 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 176' ' ' ILE . 34.4 tp -64.6 -40.26 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 178.831 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 58.1 mtp -61.18 -33.1 72.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.258 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 3.6 mmt-85 -68.04 -48.74 64.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 175.185 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 7.3 mm-40 -60.27 -33.73 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.7 mt -57.64 -35.5 50.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 110.109 175.466 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -70.7 -44.3 67.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.7 m -55.87 -42.37 75.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.243 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 55.9 mmtt -68.36 -39.65 81.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.518 -178.462 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.93 -22.34 59.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 177.592 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.451 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.4 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -58.75 -31.39 68.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.712 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.48 69.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.58 94.55 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.126 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' B' ' 442' ' ' LYS . 47.4 mm -60.15 -46.88 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 0.0 110.79 177.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.3 mttt -65.44 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -36.99 85.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.661 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.43 ' HB3' HD21 ' B' ' 439' ' ' LEU . 42.5 mt-10 -63.46 -46.81 84.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.128 174.015 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' B' ' 439' ' ' LEU . 85.5 mt -53.69 -52.69 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 176.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 66.8 mtp180 -56.77 -40.65 76.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.117 0.484 . . . . 0.0 110.824 178.484 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -58.81 -46.54 87.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 30.6 mm-40 -76.79 -30.88 56.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.7 mt-10 -59.85 -39.61 85.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.019 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.59 -50.01 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 175.387 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.588 ' HB2' HG21 ' B' ' 432' ' ' VAL . 55.7 mt -60.66 -46.09 91.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.709 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 48' ' ' ALA . 1.8 tm? -61.1 -43.91 98.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 109.226 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.69 -46.75 88.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.269 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -59.73 -55.52 33.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.638 -174.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -60.16 -38.17 82.35 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.75 0.31 . . . . 0.0 111.125 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.88 -44.62 96.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.85 -178.136 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.99 -37.09 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.38 -47.86 82.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.24 0.543 . . . . 0.0 111.163 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' B' ' 421' ' ' LYS . 48.5 mt -75.09 -25.71 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.997 -174.654 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.07 -9.64 7.94 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.65 13.02 49.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.315 177.378 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.01 41.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.57 144.07 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -177.206 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.652 ' HA ' HD22 ' B' ' 416' ' ' LEU . 17.7 pttm -157.73 157.58 33.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.401 0.619 . . . . 0.0 110.909 169.593 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.5 t70 -147.61 162.88 38.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.288 -178.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.76 -29.86 69.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.784 0.325 . . . . 0.0 111.167 -173.392 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 22.2 t -68.05 -32.29 72.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.656 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 16.8 mmtt -74.05 -52.39 12.83 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 -178.624 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 34.7 mt-10 -58.03 -46.99 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.643 -173.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.58 -36.76 76.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 178.234 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.577 ' O ' HG12 ' B' ' 432' ' ' VAL . 21.0 tpp180 -63.91 -42.2 97.47 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.386 178.581 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.505 HD11 HD12 ' B' ' 416' ' ' LEU . 8.2 mt -55.38 -51.85 65.49 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.718 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.714 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 16.2 m95 -66.37 -40.93 90.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.148 178.535 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 435' ' ' ILE . 36.3 tt0 -59.59 -56.12 25.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -176.819 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.588 HG21 ' HB2' ' B' ' 408' ' ' LEU . 7.3 p -63.11 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.323 0.582 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 21.9 tp60 -54.24 -52.98 59.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.415 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.99 -32.79 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.094 -178.727 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.4 mt -62.1 -41.97 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.306 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.3 -47.93 82.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.841 178.291 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.465 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.6 t -73.77 -32.83 63.99 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 -177.276 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.57 -37.48 86.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.207 0.527 . . . . 0.0 109.998 176.246 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.59 HD12 ' CD ' ' B' ' 442' ' ' LYS . 1.4 mp -62.78 -34.91 78.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.153 176.596 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.55 -38.57 84.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.039 174.481 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -68.54 -41.27 80.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.407 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.59 ' CD ' HD12 ' B' ' 439' ' ' LEU . 49.3 mtpt -57.43 -37.13 72.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.739 177.109 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.457 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.7 tp -63.81 -42.55 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.611 178.294 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 444' ' ' ARG . 50.7 mtp85 -81.92 -2.79 52.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.25 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 -11.82 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.723 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.191 -177.241 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.34 -1.66 41.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.226 0.536 . . . . 0.0 111.488 -177.475 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -128.41 125.74 39.21 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.609 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -128.54 143.34 50.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.39 -177.265 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 62.9 mmtt -118.2 113.04 20.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.113 178.823 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG22 HD23 ' A' ' 172' ' ' LEU . 82.9 t -113.38 106.3 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.33 0.586 . . . . 0.0 110.302 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -102.35 115.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 48.1 ttm -93.02 120.95 33.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.37 175.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -177.286 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.43 152.32 6.44 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -97.1 -69.55 0.75 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.909 0.355 . . . . 0.0 110.743 -173.238 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.57 -84.75 0.49 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.806 179.296 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -126.29 -51.96 0.16 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.222 178.014 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 24' ' ' GLY . 2.7 m 57.02 -2.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.092 1.357 . . . . 0.0 113.792 176.247 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.552 ' HA3' ' ND2' ' A' ' 128' ' ' ASN . . . 77.28 23.14 69.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.594 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 18.7 ptpt -58.6 -46.1 87.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.5 m -68.15 -33.33 74.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.684 -176.279 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.74 -45.38 58.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.682 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.681 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.4 mt -61.12 -43.88 98.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.74 -176.04 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.447 ' HB ' HG21 ' A' ' 66' ' ' ILE . 70.1 p -70.68 -45.57 64.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.484 -175.335 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -55.55 -40.37 71.82 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.165 0.291 . . . . 0.0 110.449 179.156 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.26 -41.61 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.33 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' HE2' HG21 ' A' ' 64' ' ' ILE . 65.5 t80 -72.62 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.619 179.228 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.32 -46.24 91.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.227 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 82.5 m-85 -110.45 -89.72 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.466 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 26.5 t70 165.36 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.809 0.693 . . . . 0.0 109.707 -172.417 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.5 153.14 18.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -173.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -75.77 123.69 26.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.366 -172.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.12 126.93 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.023 176.847 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.23 -50.17 3.13 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.751 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -115.82 122.9 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.436 -174.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.36 121.94 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.768 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.1 mt-10 -87.95 -68.47 0.13 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.525 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.768 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 22.1 Cg_exo -63.15 -85.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.584 2.189 . . . . 0.0 114.4 -163.349 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.568 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 37.7 p 49.15 50.87 17.26 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.187 0.595 . . . . 0.0 111.642 -172.024 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -87.0 -54.34 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.537 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.55 27.37 7.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.043 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' A' ' 46' ' ' THR . 1.7 m-20 -75.11 96.36 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.282 -175.643 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 78.4 p -106.34 171.43 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 168.586 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -164.82 127.2 2.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -80.88 106.24 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.935 177.383 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 64' ' ' ILE . 51.4 tptt -99.47 128.67 45.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.082 179.122 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -91.07 124.63 35.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.377 175.381 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -133.58 139.65 48.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 171.4 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.31 107.89 22.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.692 0.758 . . . . 0.0 110.135 -177.649 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.645 HD12 HH21 ' A' ' 177' ' ' ARG . 88.5 mt -89.26 98.92 12.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.631 -175.299 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 58.76 16.43 4.43 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.523 172.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.11 -40.96 0.92 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.54 -1.314 . . . . 0.0 114.412 176.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.93 139.83 34.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.658 0.729 . . . . 0.0 110.832 -175.817 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.46 109.05 14.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 109.795 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.5 t -109.09 150.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.28 -170.705 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -114.33 127.58 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.279 0.562 . . . . 0.0 111.409 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 53' ' ' LYS . 5.2 tt -117.54 139.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.961 178.332 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 38.1 t0 -121.03 147.12 45.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.738 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 50' ' ' SER . 96.9 mt -131.46 140.08 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.792 0.33 . . . . 0.0 111.747 -171.181 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -118.74 122.8 43.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 173.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 30.1 t70 -88.68 103.17 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 174.623 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -75.91 143.48 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -168.065 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.24 114.35 26.43 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.872 171.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 71.24 2.95 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.61 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -146.05 159.04 43.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.808 0.337 . . . . 0.0 111.096 -179.679 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.46 -24.05 61.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.109 -179.055 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.487 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.5 m-20 -58.14 -78.96 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.585 0.707 . . . . 0.0 111.779 -176.261 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.559 ' H ' HD13 ' A' ' 72' ' ' LEU . 90.7 m-85 -82.08 62.06 5.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.736 -174.316 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.98 -20.27 62.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.39 175.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.974 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -62.93 -25.33 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.558 177.337 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.644 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 20.2 mt -78.03 -26.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.13 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -92.89 -65.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.612 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.36 -53.01 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -174.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.974 HD22 ' HA ' ' A' ' 77' ' ' ALA . 63.1 m-80 -77.11 -18.34 58.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.812 -170.156 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 31.8 m-85 -93.36 -36.6 12.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 122.189 -0.32 . . . . 0.0 111.769 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 6.7 m-30 -58.17 -25.38 61.46 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.575 0.226 . . . . 0.0 111.172 -179.083 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HD3' ' OE2' ' B' ' 426' ' ' GLU . 4.6 mmp_? -47.89 -63.1 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.502 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -89.55 17.39 6.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.513 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.05 159.12 33.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.885 178.148 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 176' ' ' ILE . 10.1 tp10 -115.96 -75.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.741 0.305 . . . . 0.0 110.352 -177.834 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.53 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.67 150.01 16.72 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.511 -174.655 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -129.36 134.96 48.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.0 111.638 -176.664 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 124' ' ' LEU . 79.7 mt -101.87 111.19 23.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.079 174.624 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 104' ' ' THR . 9.9 mp -81.23 105.58 12.54 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.612 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.849 HG22 ' HB ' ' A' ' 126' ' ' VAL . 64.1 t -118.33 139.56 45.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.544 -175.066 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 44.7 p90 -152.17 155.83 38.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.96 177.363 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 m -89.45 144.52 25.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -71.95 5.46 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.967 0.413 . . . . 0.0 111.411 -179.77 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 132' ' ' LEU . 16.7 p -107.54 -34.31 7.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 110.338 172.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -77.88 93.27 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.785 177.576 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.18 -28.82 62.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.441 -173.129 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.43 -45.17 88.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 p -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.923 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -65.66 -47.62 74.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.354 177.213 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.6 m -67.99 -35.41 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.492 178.609 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.77 63.23 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.567 -175.332 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 38.3 p -56.83 -44.82 82.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.9 78.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.52 . . . . 0.0 110.427 178.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.92 -36.47 72.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.108 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.495 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.7 m-85 -57.09 -40.65 77.37 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.065 177.705 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -55.02 -52.51 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.626 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -32.22 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.855 -179.24 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.365 0.603 . . . . 0.0 109.845 179.205 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.3 mt -71.87 -52.45 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.355 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.5 mp -64.95 -15.41 62.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.984 0.421 . . . . 0.0 111.687 -179.432 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -71.1 -30.24 66.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.584 177.167 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.65 -15.46 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.984 -175.388 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HB2' ' OE2' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -154.37 132.41 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.349 . . . . 0.0 110.533 -179.361 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.81 -39.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.731 -178.352 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.09 69.58 9.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.557 0.694 . . . . 0.0 110.408 -176.26 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.631 ' OE2' ' HB2' ' A' ' 115' ' ' LYS . 9.4 pt-20 -149.86 -158.24 0.9 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.67 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 60.1 m-20 -60.2 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.523 0.201 . . . . 0.0 111.156 -177.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 13.1 mmtp -168.87 122.58 0.83 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.121 178.651 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 79.5 mt -78.86 113.25 33.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.163 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 5.0 Cg_endo -87.48 127.83 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.595 2.863 . . . . 0.0 112.377 177.585 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.85 133.8 54.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.236 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -126.68 121.97 33.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.154 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -89.85 121.54 40.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.086 -178.439 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.849 ' HB ' HG22 ' A' ' 92' ' ' VAL . 41.0 t -120.33 126.07 74.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -174.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 139.88 15.2 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 173.858 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.552 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 57.9 t30 -133.83 161.67 34.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.289 0.545 . . . . 0.0 110.335 -178.345 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 71.51 24.24 3.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.737 0.648 . . . . 0.0 110.907 -176.354 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -61.29 -8.22 3.61 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.05 -16.28 63.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.327 0.584 . . . . 0.0 110.324 174.849 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 96' ' ' THR . 69.5 mt -81.16 50.05 1.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.79 -29.46 68.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.92 -7.36 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.143 -0.348 . . . . 0.0 111.673 -177.56 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 96' ' ' THR . 94.2 mtt180 -123.77 3.65 8.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.663 -0.415 . . . . 0.0 112.045 -176.256 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -54.56 114.26 1.61 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.919 0.39 . . . . 0.0 110.638 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -91.67 -29.74 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.365 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.6 p -114.94 121.56 35.13 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.874 178.467 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.83 122.6 12.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.509 2.14 . . . . 0.0 111.148 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -72.24 -7.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 -174.647 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -56.16 -60.12 3.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.118 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -19.45 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.07 0.462 . . . . 0.0 110.911 -178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.15 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.106 174.76 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 46.5 mtp180 -67.16 -37.07 83.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.847 175.394 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 21.0 t -59.7 -44.93 93.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.838 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -54.78 -48.87 72.14 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.7 -38.94 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.873 176.589 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.98 -34.58 75.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 -179.154 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 44.2 mt-10 -63.9 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 178.363 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -89.89 -6.95 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -177.886 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.71 25.38 50.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.736 177.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.457 HG23 ' HB1' ' A' ' 147' ' ' ALA . 19.7 m -117.01 -178.88 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-O 120.953 0.406 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -100.19 151.48 21.38 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 -178.469 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 74.7 t80 -122.75 128.48 50.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.804 175.558 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.4 133.76 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.292 -178.755 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -91.52 136.33 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.9 p -128.88 154.95 46.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.124 0.488 . . . . 0.0 110.978 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -135.93 100.1 4.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.136 174.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.681 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -59.95 -21.02 60.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.27 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -63.41 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.838 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.4 p -112.6 3.12 16.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.192 -178.052 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.62 20.49 12.26 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.675 -177.135 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.2 118.05 15.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.726 -176.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 66.73 8.14 5.72 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.284 175.005 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.28 -46.26 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 111.676 -174.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -75.9 -22.72 55.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.217 -176.438 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -60.19 -53.67 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.145 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.57 -25.96 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.011 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -74.41 -42.42 59.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 177.525 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.95 -41.09 78.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -48.6 81.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.261 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.405 HD23 HG22 ' A' ' 17' ' ' VAL . 43.3 tp -65.05 -37.14 86.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.0 mtm -66.78 -31.08 71.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.308 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -69.0 -39.11 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.621 177.672 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.562 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.0 mm-40 -53.6 -48.5 69.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 111.375 172.527 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.5 mt -55.96 -34.95 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.645 HH21 HD12 ' A' ' 57' ' ' LEU . 82.9 mtt-85 -68.97 -50.17 51.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -60.79 -36.38 78.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.8 mptt -64.56 -46.93 80.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.265 178.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.4 mmtt -74.1 -33.12 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.852 -175.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.695 -179.635 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.523 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.4 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.28 -38.35 71.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.546 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.957 178.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.88 -40.85 99.78 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.893 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.627 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.3 mm -54.12 -51.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.678 0.275 . . . . 0.0 110.753 177.721 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.2 mttm -57.34 -41.55 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.696 -178.28 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.34 -35.62 73.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.58 0.229 . . . . 0.0 111.465 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.7 mt-10 -70.26 -34.56 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.867 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 398' ' ' ILE . 59.0 mt -57.94 -50.47 77.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 171.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 70.0 mtm180 -57.33 -37.21 72.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.458 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.0 ttm180 -58.99 -49.36 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 177.124 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 52.0 mm-40 -72.85 -35.92 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.59 ' HG2' HD21 ' B' ' 436' ' ' LEU . 64.0 mt-10 -60.77 -38.08 84.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.699 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.24 -49.86 25.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.162 176.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 84.9 mt -57.61 -46.1 84.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -178.764 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.555 HD13 HG13 ' B' ' 432' ' ' VAL . 29.9 tp -72.36 -33.04 66.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.369 -178.551 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.67 -41.5 99.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.107 175.835 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 8.9 t -60.66 -53.54 56.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 1.8 mm? -52.25 -40.95 62.38 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 175.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -62.33 -44.57 96.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.152 177.529 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -77.46 -51.07 11.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.9 -46.47 89.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 0.0 111.794 -176.002 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.702 ' HG ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 mp -67.73 -25.64 65.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 -174.427 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.84 -24.63 58.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.803 0.335 . . . . 0.0 110.492 174.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.45 -12.48 77.12 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.181 -176.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.53 0.23 62.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.677 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.8 116.42 7.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.63 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.568 ' HA ' ' HD3' ' B' ' 425' ' ' LYS . 19.3 ptpt -121.12 142.42 49.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 122.236 1.017 . . . . 0.0 113.567 -174.426 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.667 ' O ' ' HG2' ' B' ' 425' ' ' LYS . 11.1 t70 -150.18 167.73 26.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.218 -1.81 . . . . 0.0 106.534 173.445 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.97 -31.5 66.34 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 118.926 0.784 . . . . 0.0 109.13 171.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 5.9 m -66.0 -32.37 73.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.846 -177.407 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HD2' ' HG ' ' B' ' 416' ' ' LEU . 20.0 pttp -63.58 -46.7 84.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 111.122 -174.219 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.592 ' N ' ' HG3' ' B' ' 425' ' ' LYS . 1.7 pt-20 -72.45 -40.13 67.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -177.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.2 mt-10 -62.1 -45.46 93.38 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.039 176.86 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -71.16 -29.21 64.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.046 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 1.3 mt -56.45 -50.34 72.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 O-C-N 123.345 0.403 . . . . 0.0 109.975 175.649 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.602 ' CZ3' ' HD2' ' A' ' 16' ' ' LYS . 80.3 m95 -71.2 -32.09 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.534 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.719 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 45.6 mt-10 -63.8 -56.63 14.0 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.063 -178.627 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.555 HG13 HD13 ' B' ' 409' ' ' LEU . 7.7 p -65.08 -33.46 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 109.953 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.293 177.061 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.719 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 0.4 OUTLIER -70.94 -27.36 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.471 -176.545 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' B' ' 432' ' ' VAL . 31.5 mt -75.0 -39.55 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.054 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.59 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.4 tm? -57.66 -49.34 76.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.1 t -70.44 -36.27 73.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 -178.081 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.55 -37.56 87.05 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.979 177.263 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.834 ' HA ' ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -65.28 -41.1 94.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.321 -178.896 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.9 -29.67 68.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.313 177.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.466 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.5 OUTLIER -68.24 -43.18 78.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.936 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.834 ' HD3' ' HA ' ' B' ' 439' ' ' LEU . 25.8 mtpp -58.44 -31.49 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.78 175.632 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.5 tm? -68.6 -40.25 80.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.077 178.885 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -81.47 -3.52 53.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 177.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.466 ' HB2' HH11 ' B' ' 441' ' ' ARG . 6.0 tp10 -91.92 -17.25 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.974 175.631 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.984 -177.333 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -84.11 6.53 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.135 -172.718 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.3 108.73 20.45 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -116.25 148.82 40.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.462 . . . . 0.0 111.928 -173.238 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -131.45 107.16 8.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.715 174.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -118.05 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.526 0.679 . . . . 0.0 110.322 -178.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 75.0 mt -104.68 114.95 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.983 -178.088 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.42 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 55.8 ttm -85.96 127.81 34.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 175.685 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.78 166.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.035 0.445 . . . . 0.0 111.3 -176.191 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.46 161.44 22.92 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.759 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 m -82.6 17.94 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.367 0.603 . . . . 0.0 110.447 -176.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.52 -70.45 0.51 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.376 -176.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.56 -99.8 0.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.454 -0.403 . . . . 0.0 113.37 -177.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m 50.42 18.11 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.036 1.334 . . . . 0.0 113.656 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.26 19.53 78.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.158 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 16.3 ttpp -84.81 57.38 4.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.024 0.916 . . . . 0.0 110.046 -173.7 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -156.65 -34.23 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.914 -1.494 . . . . 0.0 109.487 167.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.77 -55.16 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 178.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.39 -37.79 78.87 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.603 ' HB ' HG21 ' A' ' 66' ' ' ILE . 53.1 p -66.87 -48.67 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.045 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CB ' HG21 ' A' ' 40' ' ' VAL . 87.4 mt -67.72 -30.77 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.733 179.407 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 13.0 mm100 -58.52 -43.19 89.1 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HE2' HG21 ' A' ' 64' ' ' ILE . 59.5 t80 -72.69 -23.52 60.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.354 . . . . 0.0 111.086 -177.169 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 65.8 mtm -96.26 -43.97 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.449 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -88.46 -13.61 39.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.082 -179.333 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 72.8 -39.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.964 0.79 . . . . 0.0 112.031 177.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -97.43 172.41 7.78 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 122.401 0.28 . . . . 0.0 110.938 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -75.5 145.4 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 32' ' ' LEU . 60.6 t -99.61 132.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.624 -171.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -87.91 -68.45 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 175.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -134.62 128.21 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 111.75 -179.591 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -156.34 91.57 1.26 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 38.7 tt0 -71.6 -53.6 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -172.648 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 32.3 Cg_exo -58.55 96.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.07 1.847 . . . . 0.0 112.785 -175.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 15.8 p -144.76 27.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.166 177.431 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -86.75 -56.24 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 110.691 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.83 27.46 6.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.626 178.304 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.86 107.4 18.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.696 -170.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 30.8 m -93.26 166.77 12.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.612 171.603 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 40.3 t80 -154.71 141.91 19.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.161 178.433 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 52' ' ' ARG . 38.0 mtp-105 -100.99 121.25 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.306 -175.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 54.5 tptt -107.31 133.42 51.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.036 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -99.87 127.94 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.174 176.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.92 163.44 37.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.39 113.33 43.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.669 176.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.6 94.99 9.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.591 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 23.07 76.71 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.245 1.591 . . . . 0.0 114.054 -176.578 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.26 -52.66 0.82 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.14 -1.029 . . . . 0.0 114.349 173.395 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.16 147.48 26.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.566 0.683 . . . . 0.0 111.899 -170.138 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.41 114.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.599 ' HA ' ' HB1' ' A' ' 13' ' ' ALA . 10.0 t -106.65 141.4 21.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.831 -171.36 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.47 117.65 32.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -119.39 113.16 40.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.333 0.587 . . . . 0.0 109.599 174.717 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.77 131.13 45.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.836 -178.754 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 ' HB ' ' A' ' 31' ' ' THR . 37.6 mm -107.54 128.62 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.093 -174.346 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.0 tp -109.83 122.89 48.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 176.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 t0 -94.76 112.75 24.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.24 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 p -86.74 116.61 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.447 . . . . 0.0 112.073 -175.029 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.65 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 174.618 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 88.44 0.91 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.195 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -157.99 165.43 35.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -178.917 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -96.22 -3.55 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.458 178.119 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.2 m-20 -57.13 -70.05 0.14 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.253 176.684 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.678 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.0 m-85 -83.02 -52.53 6.58 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.775 -176.409 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.04 -38.35 0.33 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.592 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -56.55 -30.2 62.84 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.411 0.685 . . . . 0.0 112.207 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.52 -28.44 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.135 -178.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -93.86 -65.95 0.95 Allowed 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.461 178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -74.84 -52.34 11.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.245 0.545 . . . . 0.0 111.62 -172.577 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.828 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 15.1 m120 -72.01 -16.28 62.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.392 -171.201 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.2 m-85 -91.53 -33.57 15.11 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.086 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.1 m-30 -59.25 -28.46 66.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -169.232 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -60.79 -42.7 98.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.249 -0.181 . . . . 0.0 111.446 -173.131 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.668 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 19.9 m -84.89 12.97 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.823 0.344 . . . . 0.0 111.811 -177.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -156.95 29.57 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 174.581 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 3.5 tp10 -164.88 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.084 0.442 . . . . 0.0 110.18 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.08 138.44 14.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.944 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.72 137.86 49.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 0.0 111.932 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -108.1 112.88 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.912 176.861 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.3 106.27 18.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.284 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' A' ' 126' ' ' VAL . 58.3 t -112.04 132.17 61.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.077 -175.286 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.4 164.98 29.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.731 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -99.97 142.67 31.14 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.539 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.555 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.65 13.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 111.207 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 132' ' ' LEU . 30.4 p -126.53 -30.39 2.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 175.136 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -82.53 97.19 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.58 -29.99 70.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.066 -174.054 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -68.48 -31.54 70.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.809 0.338 . . . . 0.0 110.412 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -73.77 -31.2 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.075 177.734 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.93 -47.95 73.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -68.08 -28.0 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.166 0.508 . . . . 0.0 110.781 178.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.36 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.462 -177.505 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 29.1 p -55.8 -40.79 73.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 111.521 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.25 98.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 176.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.43 -43.79 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -60.62 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.203 177.415 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -57.47 -53.92 52.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.754 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.95 -34.26 77.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.963 -176.925 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.47 -38.32 83.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.924 0.392 . . . . 0.0 110.576 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 121' ' ' ILE . 65.5 mt -66.64 -40.18 85.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.896 -178.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.23 -10.35 59.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.064 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -76.96 -45.64 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.172 0.51 . . . . 0.0 110.056 174.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.7 m -89.05 -27.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 -173.647 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.495 ' CG ' ' HG3' ' A' ' 118' ' ' GLU . 45.7 mttm -103.14 -98.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.274 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.14 -52.63 0.47 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.865 0.866 . . . . 0.0 113.092 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -82.27 7.95 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 111.565 -177.275 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.495 ' HG3' ' CG ' ' A' ' 115' ' ' LYS . 6.4 mm-40 -82.38 -178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.99 -177.448 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.73 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 178.631 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.424 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.2 mmmt -144.25 138.99 28.38 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -178.852 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 111' ' ' ILE . 36.9 mt -113.08 108.46 53.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.329 -178.167 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 9.4 Cg_endo -89.05 111.28 0.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.599 2.866 . . . . 0.0 112.42 177.629 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.36 121.62 44.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.736 177.336 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.687 ' HB3' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -106.21 121.84 44.99 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.24 118.15 34.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.287 0.565 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.596 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -111.52 122.93 66.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.88 -175.523 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.0 109.33 3.68 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.42 162.93 12.54 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.628 -0.336 . . . . 0.0 110.568 -176.334 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.61 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 10.9 mmtt 72.6 29.47 2.02 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.771 0.669 . . . . 0.0 111.57 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.1 m -63.81 -3.32 2.32 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 178.615 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.73 -5.53 43.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.313 0.578 . . . . 0.0 110.265 173.514 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 96' ' ' THR . 84.3 mt -99.6 35.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.075 173.635 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.78 -22.62 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.269 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -91.91 -25.63 18.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -103.62 17.1 24.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.513 -173.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.588 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 40.6 ttp180 -48.55 113.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.789 0.681 . . . . 0.0 111.228 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 21.7 tm0? -88.08 -40.62 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 126.46 28.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.019 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.588 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 69.4 Cg_exo -52.02 116.82 3.03 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.72 2.28 . . . . 0.0 111.81 178.508 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.9 OUTLIER -69.6 -18.83 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.34 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 1.9 mp0 -60.01 -52.15 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.588 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.442 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.9 pt-20 -70.38 -30.12 66.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.126 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.4 93.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.096 175.403 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 18.9 mtp180 -60.34 -47.18 87.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.112 172.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 7.7 t -63.42 -17.96 63.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.206 -177.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 51.0 mmtt -79.95 -40.79 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.866 175.795 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -63.71 -39.86 95.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 109.042 171.375 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 36.7 tt0 -59.62 -43.99 93.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.615 173.699 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.52 -41.79 81.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.178 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -88.44 -6.21 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.803 -176.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.38 39.55 42.6 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.997 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.477 HG23 ' HB1' ' A' ' 147' ' ' ALA . 31.1 m -121.16 -173.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.189 0.519 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.637 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 1.7 pm0 -95.68 145.73 25.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.462 178.274 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 68.3 t80 -126.82 121.34 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.969 177.611 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 40.0 t -127.78 135.58 62.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.89 143.71 28.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.349 175.349 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 16.4 p -131.36 136.34 47.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.2 0.524 . . . . 0.0 110.875 -179.361 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 m -121.82 100.93 7.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.102 178.0 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.79 -18.36 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -73.78 -17.28 61.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.214 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.5 p -132.55 -0.83 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -176.39 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 61.94 30.8 18.17 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.851 0.834 . . . . 0.0 110.212 -178.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.59 128.35 38.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.618 -177.507 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 68.78 6.71 5.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.333 173.663 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.69 -37.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 110.807 -177.119 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.83 -29.78 56.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.61 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.46 -43.14 97.19 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -175.068 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.13 -30.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.642 0.258 . . . . 0.0 111.59 -175.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -75.17 -43.11 54.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.612 0.244 . . . . 0.0 110.725 178.354 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -64.89 -45.66 85.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.165 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.09 -48.87 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 124' ' ' LEU . 39.7 tp -65.13 -32.84 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 -178.688 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.0 mtm -65.31 -36.35 83.78 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.842 176.786 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 45.8 mmm-85 -70.09 -34.84 73.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.456 177.413 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.632 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.5 mm-40 -56.68 -43.29 80.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 172.893 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.36 -33.69 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 178.655 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 74.2 mtt180 -61.82 -50.64 71.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.977 0.418 . . . . 0.0 110.146 177.484 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 19.0 m -60.8 -44.58 96.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.878 -178.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.5 mptt -62.9 -45.38 92.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.412 -178.719 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.31 -35.89 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.407 179.319 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.105 -178.855 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 398' ' ' ILE . 6.2 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.6 mt-30 -62.66 -32.85 73.98 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.066 177.088 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -53.2 -55.05 27.35 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.136 0.273 . . . . 0.0 110.635 177.554 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.84 94.19 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 178.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' B' ' 442' ' ' LYS . 41.8 mm -63.22 -50.2 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.509 178.041 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.2 mttt -60.04 -36.67 77.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.9 mt-10 -58.75 -46.73 86.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.789 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.72 -45.53 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.132 178.684 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' B' ' 443' ' ' LEU . 98.1 mt -55.86 -53.41 38.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.566 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.476 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.9 mmm180 -64.11 -30.58 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 26.8 ttt180 -66.09 -51.38 58.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.137 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.412 ' OE1' HD12 ' B' ' 408' ' ' LEU . 71.3 mm-40 -75.76 -27.29 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -176.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.476 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -59.18 -46.87 87.27 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.839 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.84 -44.41 73.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.677 178.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.7 mt -58.51 -50.73 72.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.967 -179.343 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.545 HD11 ' OH ' ' A' ' 82' ' ' TYR . 18.0 tp -66.8 -33.67 76.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.788 178.229 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 57.6 t30 -66.46 -46.28 76.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.114 179.166 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 411' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 9.3 t -59.74 -43.79 94.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.252 -178.197 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' B' ' 428' ' ' ARG . 71.9 mt -60.72 -41.09 94.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.413 175.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.702 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 22.8 m-70 -58.97 -45.74 89.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.729 176.029 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 76.0 mtm180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.489 0.493 . . . . 0.0 111.524 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.69 -43.77 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.315 0.579 . . . . 0.0 111.139 -176.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 81' ' ' ASN . 10.8 mp -78.56 -24.15 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.513 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.702 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 28.3 mt-30 -55.45 -33.01 63.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 178.561 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.84 0.11 72.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.743 -177.79 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.95 -13.12 59.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.766 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.2 mt -79.15 115.52 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.954 0.407 . . . . 0.0 110.313 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.828 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 55.3 pttt -142.99 154.23 43.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 177.29 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.577 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 15.8 t70 -148.21 164.36 34.19 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.748 -177.372 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.1 -34.47 74.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 19.1 t -64.79 -32.38 74.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' B' ' 416' ' ' LEU . 19.4 mmtp -71.96 -53.25 13.64 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.015 0.435 . . . . 0.0 110.523 -175.695 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' B' ' 429' ' ' LEU . 15.4 mt-10 -60.97 -44.64 97.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.119 -172.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.82 -33.02 62.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.916 -177.148 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.611 ' O ' HG12 ' B' ' 432' ' ' VAL . 28.2 tpt180 -69.6 -34.67 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.043 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.674 HD11 HD22 ' B' ' 416' ' ' LEU . 17.3 mt -55.94 -57.03 13.81 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.335 177.689 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.668 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 80.9 m95 -64.41 -30.43 71.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.491 179.685 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 41.7 tt0 -66.5 -55.58 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.481 0.182 . . . . 0.0 111.285 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.9 p -65.07 -32.94 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.549 . . . . 0.0 109.892 177.755 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 28.8 tp60 -54.45 -51.51 64.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.519 176.87 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -68.74 -27.02 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.373 -177.376 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -72.12 -46.87 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.455 176.639 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.3 -41.04 79.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.268 179.794 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 11.9 t -74.2 -35.63 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -177.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -63.59 -35.14 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.361 0.601 . . . . 0.0 109.598 176.007 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.933 HD23 ' HD3' ' B' ' 442' ' ' LYS . 84.1 mt -66.45 -34.8 78.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.417 178.191 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.57 -38.88 82.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.923 HH11 ' HG3' ' B' ' 445' ' ' GLU . 6.8 tmm_? -64.45 -47.41 79.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 176.554 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.933 ' HD3' HD23 ' B' ' 439' ' ' LEU . 48.2 mtpt -58.57 -40.22 82.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.23 -179.225 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' B' ' 402' ' ' ILE . 64.7 tp -60.43 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.987 0.423 . . . . 0.0 111.2 -179.3 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -81.6 -5.96 58.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -178.417 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.923 ' HG3' HH11 ' B' ' 441' ' ' ARG . 2.1 tm-20 -83.96 -29.67 26.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.238 -178.108 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.011 -177.988 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 177' ' ' ARG . 82.4 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.76 59.38 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.459 0.647 . . . . 0.0 111.209 -177.084 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.35 115.04 12.01 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.062 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -102.72 114.27 28.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 117.42 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.526 -176.118 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 66' ' ' ILE . 96.3 t -125.38 107.12 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.935 176.701 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' A' ' 89' ' ' PHE . 61.4 mt -98.55 121.57 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 90' ' ' LEU . 89.1 mmm -89.98 104.95 17.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.553 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 90' ' ' LEU . 22.9 m -95.41 162.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -178.403 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.61 147.44 4.98 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.571 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.512 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 16.3 t -60.47 -44.99 95.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.305 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.73 -88.9 0.99 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.898 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . -175.19 63.13 0.1 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.493 178.29 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 128' ' ' ASN . 21.3 t -55.61 -57.07 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 178.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.51 0.73 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.898 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 56.7 mtpt -85.3 -77.2 0.29 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.614 0.245 . . . . 0.0 111.285 -176.272 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -74.76 -10.15 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.854 -177.465 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.53 -48.65 47.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.753 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.1 mt -73.03 -30.97 64.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.42 -175.509 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' MET . 20.4 p -63.71 -44.12 94.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.245 . . . . 0.0 111.238 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.67 -39.6 94.43 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.317 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.3 mm100 -59.35 -40.41 86.29 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-O 121.2 0.524 . . . . 0.0 110.459 177.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -71.17 -17.35 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.546 -178.112 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' THR . 86.3 mtp -93.76 -47.71 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.143 -0.348 . . . . 0.0 111.819 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 65.5 m-85 -114.9 -11.72 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.634 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER 68.25 0.57 2.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.838 0.455 . . . . 0.0 111.32 -173.138 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' HH11 ' A' ' 162' ' ' ARG . 16.1 mm-40 -100.3 161.29 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.383 179.389 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -76.65 135.46 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.321 179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.57 118.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.374 0.607 . . . . 0.0 110.741 -179.041 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.82 -55.12 3.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.661 -177.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.69 113.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -177.072 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.562 ' HE2' ' HH ' ' A' ' 51' ' ' TYR . 38.9 t80 -172.22 111.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.266 176.726 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.617 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 41.4 mt-10 -98.69 -56.44 0.17 Allowed Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.322 179.533 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 79.6 Cg_exo -49.57 116.56 2.39 Favored 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.207 2.605 . . . . 0.0 114.782 -171.062 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.84 25.28 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 172.514 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -85.64 -51.33 6.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.449 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -125.42 17.81 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.684 -179.103 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 172.29 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.129 0.49 . . . . 0.0 111.482 -177.212 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -153.31 156.4 38.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' HH ' ' HE2' ' A' ' 43' ' ' TYR . 85.3 m-85 -112.57 108.21 17.21 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.485 -175.198 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' B' ' 441' ' ' ARG . 3.8 ptm180 -90.04 106.58 18.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.861 0.839 . . . . 0.0 110.039 176.641 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -126.16 128.29 47.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.993 -176.324 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -76.1 130.24 38.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.482 . . . . 0.0 110.174 177.415 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 62' ' ' VAL . 5.0 m -129.14 141.5 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.499 174.781 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 5.9 p -122.78 106.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.626 0.727 . . . . 0.0 110.737 -177.249 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -89.69 99.43 12.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.025 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 55.59 5.62 0.15 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 113.415 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.34 -32.42 0.64 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.361 -0.924 . . . . 0.0 113.123 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 11.9 pt-20 -80.29 113.06 18.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.007 0.403 . . . . 0.0 110.937 -178.603 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.88 101.29 8.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 109.985 174.337 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 55' ' ' VAL . 32.8 m -116.75 -173.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.27 -179.452 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -128.92 150.62 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.311 -179.595 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.9 tt -106.73 141.24 22.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.688 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.52 109.82 19.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -175.553 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 17' ' ' VAL . 39.0 mm -109.62 127.47 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.386 -171.582 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 134.26 53.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.924 175.901 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -89.77 -172.72 3.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.567 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 p -143.31 141.02 30.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.024 0.44 . . . . 0.0 111.519 -179.067 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.7 124.41 29.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.675 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -85.27 50.56 4.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.215 -176.906 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.86 163.71 37.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.72 7.68 46.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.849 0.356 . . . . 0.0 111.388 -175.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.4 m-20 -74.46 -69.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.866 172.764 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 80.3 m-85 -78.23 61.58 2.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.457 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -25.55 67.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.559 178.188 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.671 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.12 -7.17 27.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.535 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.62 -38.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -92.07 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.555 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.86 -48.7 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.317 0.58 . . . . 0.0 111.516 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.5 m-20 -64.58 -35.3 80.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.833 -171.854 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' B' ' 429' ' ' LEU . 2.4 m-85 -70.1 -29.0 65.85 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.482 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.6 m-30 -58.6 -27.07 64.31 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -175.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 1.8 tmm_? -62.02 -33.78 74.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.552 -172.726 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 23.3 t -111.92 20.2 17.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.566 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.3 172.14 37.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.35 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -120.68 -78.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.786 0.293 . . . . 0.0 110.355 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.26 18.6 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.038 -178.585 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 18' ' ' ILE . 72.4 m-85 -130.78 134.96 47.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.494 0.188 . . . . 0.0 110.716 -176.776 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -106.76 114.3 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.039 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.64 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.607 179.01 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.642 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -101.52 131.63 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 111.74 -176.242 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -144.85 172.65 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.216 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 p -118.63 157.55 27.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.27 13.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.741 179.17 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.614 HG21 HD13 ' A' ' 132' ' ' LEU . 4.8 p -119.0 -42.15 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 175.656 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.62 99.43 8.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.014 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.63 -20.98 49.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.035 178.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.54 -39.1 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.144 -178.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 p -67.8 -26.31 66.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.547 177.131 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -70.36 -32.3 69.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.231 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -67.21 -34.17 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.399 0.619 . . . . 0.0 110.01 174.871 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.57 -15.75 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.266 -175.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.9 p -58.17 -42.62 86.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.027 0.441 . . . . 0.0 110.499 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.64 84.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.03 -45.86 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 179.477 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.7 m-85 -58.84 -48.46 81.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.468 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -51.99 -51.3 58.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.489 -177.233 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.16 -33.92 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -66.95 -34.03 76.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.998 0.428 . . . . 0.0 110.474 176.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' PHE . 94.1 mt -64.57 -44.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.347 177.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.7 mp -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 111.038 177.893 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -79.26 -41.55 27.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 177.345 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.2 m -87.71 -26.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.577 -178.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 114' ' ' VAL . 38.6 mtmt -138.49 120.66 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.539 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.33 115.27 11.49 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.722 -0.391 . . . . 0.0 112.022 -176.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.87 18.81 4.07 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.005 174.089 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 118' ' ' GLU . 8.2 pt-20 -86.18 -46.73 10.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.595 0.236 . . . . 0.0 111.039 -178.612 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -135.09 -129.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.772 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 32.5 mmmt -133.36 106.63 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -176.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 111' ' ' ILE . 38.9 mt -93.61 111.39 52.26 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.934 -173.552 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 121' ' ' ILE . 12.2 Cg_endo -91.01 119.84 0.64 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.347 2.698 . . . . 0.0 112.516 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.76 122.88 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.852 177.49 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.863 HD13 ' HG2' ' A' ' 153' ' ' GLN . 13.9 tp -119.23 123.52 44.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.987 0.422 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.33 117.27 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.762 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.642 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.5 t -105.14 110.12 29.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.614 -176.011 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.26 98.32 2.36 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' OD1' HG12 ' A' ' 25' ' ' VAL . 7.9 p30 -105.24 -178.83 3.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.271 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 64.0 mmtt 63.88 23.7 13.45 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -174.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 95' ' ' ILE . 37.2 t -63.99 -1.22 1.38 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.567 -172.272 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.81 -18.07 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.429 0.633 . . . . 0.0 110.343 179.201 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.614 HD13 HG21 ' A' ' 96' ' ' THR . 35.1 mt -82.95 79.16 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.107 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.62 -11.99 28.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.568 176.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.935 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.0 pt-20 -98.59 -14.73 19.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.409 -177.291 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 90.0 mtt180 -127.46 16.27 7.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -172.464 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.606 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 60.8 ttp180 -60.94 113.84 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.368 -176.24 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 11.9 mm-40 -100.45 -22.7 14.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.339 -178.139 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 2.5 p -109.29 116.48 54.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.656 174.526 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 19.6 Cg_endo -59.26 118.84 5.79 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.424 2.083 . . . . 0.0 110.607 174.444 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -67.54 -8.83 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 -175.777 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.25 -51.02 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.586 174.628 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.3 pt-20 -70.83 -27.36 63.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.649 -178.724 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.28 66.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 177.302 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -67.53 -33.09 74.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 109.784 177.379 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -59.62 -51.38 70.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.087 176.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -55.9 -41.64 74.79 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 174.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.62 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.469 177.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.77 -29.95 67.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.77 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.65 -45.6 93.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -86.1 -21.21 27.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.532 -178.548 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.64 28.71 10.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.435 179.09 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.4 m -112.36 -177.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.498 0.189 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.863 ' HG2' HD13 ' A' ' 124' ' ' LEU . 14.3 pm0 -106.3 159.52 16.06 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.418 -178.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 46.3 t80 -131.61 124.38 29.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.059 178.498 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.46 128.29 65.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -177.576 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.36 137.04 32.7 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.265 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 164' ' ' ASN . 31.9 p -143.87 166.9 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.0 111.573 -175.469 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.3 t -143.95 133.23 23.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 173.133 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.493 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -96.45 -3.24 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.401 175.188 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -87.09 -57.45 2.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.611 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.5 p -87.6 -7.79 57.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.669 178.545 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.437 HH11 ' HA ' ' A' ' 38' ' ' GLU . 85.7 mtm180 60.73 90.0 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.529 178.897 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -156.03 128.43 7.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.857 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.602 ' OD1' ' HE2' ' A' ' 167' ' ' LYS . 32.8 t30 72.46 9.27 5.76 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.151 0.907 . . . . 0.0 112.131 168.479 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 33' ' ' GLN . 55.4 t -63.84 -33.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.82 -173.521 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.11 -25.76 62.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.009 -173.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.602 ' HE2' ' OD1' ' A' ' 164' ' ' ASN . 19.9 ttmm -62.46 -52.4 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -174.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.501 HG11 HG13 ' A' ' 126' ' ' VAL . 27.0 m -57.91 -33.41 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.659 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.21 -56.65 4.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.926 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -63.55 -33.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.33 -51.18 69.92 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.809 176.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.7 tp -63.29 -41.02 98.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.354 0.597 . . . . 0.0 110.16 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.565 ' SD ' HD12 ' A' ' 64' ' ' ILE . 58.3 mtp -63.7 -33.16 75.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.405 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 10.4 mmm-85 -74.75 -34.71 62.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.126 177.89 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.27 -35.96 76.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 110.283 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 172' ' ' LEU . 70.4 mt -58.37 -28.23 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.07 178.711 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 70.5 mtt180 -61.42 -52.24 65.41 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.845 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.3 m -67.82 -36.88 81.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 -178.022 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.772 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -63.28 -55.86 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.594 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -73.13 -35.4 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtm . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.189 178.781 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.401 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.429 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 53.0 mt-30 -65.76 -29.14 69.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 178.68 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.88 72.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.696 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -64.11 -42.07 98.21 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.799 178.082 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.543 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.2 mm -59.11 -49.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.442 0.163 . . . . 0.0 111.328 179.019 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.3 mttt -62.27 -36.0 80.7 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -177.136 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.96 -42.22 94.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.345 176.778 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 397' ' ' GLY . 26.9 mt-10 -70.69 -31.57 68.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.2 mt -59.05 -50.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.64 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -59.78 -36.62 77.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 176.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 38.3 ttm180 -62.64 -45.9 90.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.533 176.901 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.523 ' HB2' HD23 ' B' ' 436' ' ' LEU . 34.2 mm-40 -70.2 -38.93 75.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.286 -179.042 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.0 mt-10 -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.627 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -57.83 -47.1 83.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.995 176.611 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.0 mt -59.65 -52.21 66.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' ' 48' ' ' ALA . 14.4 tp -64.76 -43.06 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.982 -179.303 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -57.07 -52.38 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.333 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.1 t -63.56 -47.84 79.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.486 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.461 ' O ' HD13 ' B' ' 416' ' ' LEU . 77.8 mt -58.31 -37.83 75.86 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.034 0.445 . . . . 0.0 110.804 177.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.11 -48.47 75.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -73.63 -40.43 63.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.463 -176.3 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.0 -53.63 54.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.37 0.605 . . . . 0.0 110.531 -177.13 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.754 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.9 mp -69.07 -26.73 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.076 -175.504 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.473 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.2 mt-30 -68.28 -21.38 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 175.864 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.64 5.25 53.15 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.383 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.7 5.7 62.82 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.411 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.754 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 47.6 mt -116.72 118.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.464 ' CB ' ' HG ' ' B' ' 416' ' ' LEU . 19.6 pttp -143.4 156.24 44.61 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.427 174.251 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.632 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.4 t70 -139.73 157.5 45.65 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.388 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.71 -29.91 70.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.956 0.407 . . . . 0.0 110.914 -176.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -66.53 -32.2 73.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.236 178.237 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.632 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 54.5 mmtt -73.07 -46.5 51.27 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.275 -176.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 35.1 mt-10 -62.4 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.988 -175.167 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.04 -41.31 67.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.985 -179.108 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 432' ' ' VAL . 5.7 mmt180 -64.01 -30.47 71.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.975 175.543 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 9.0 mt -56.25 -52.65 63.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.403 0.44 . . . . 0.0 110.155 174.325 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.529 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 65.7 m95 -61.55 -44.6 96.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.268 178.494 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.464 ' O ' HG13 ' B' ' 435' ' ' ILE . 47.0 mt-10 -60.04 -55.05 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.416 -176.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.672 HG21 ' HB2' ' B' ' 408' ' ' LEU . 11.5 p -62.93 -32.14 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 121.148 0.499 . . . . 0.0 110.457 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.517 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.1 tp60 -54.49 -56.33 19.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.398 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.94 -28.74 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.807 -179.288 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' B' ' 432' ' ' VAL . 82.3 mt -61.65 -45.52 98.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.792 175.507 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -57.14 -45.4 83.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.833 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.0 t -75.38 -37.5 60.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 -177.015 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.16 -34.87 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.441 0.638 . . . . 0.0 109.713 176.527 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.518 HD12 ' HB2' ' B' ' 442' ' ' LYS . 38.0 tp -70.33 -32.25 69.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.153 178.82 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.503 ' HE3' ' CD1' ' B' ' 436' ' ' LEU . 96.4 mttt -59.98 -38.24 81.97 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 109.486 171.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 5.0 tmt_? -64.06 -39.16 93.47 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.548 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.709 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 28.0 mtpp -63.62 -25.19 68.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.815 177.488 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.419 ' HA ' HG21 ' B' ' 398' ' ' ILE . 45.6 tp -67.2 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.176 0.513 . . . . 0.0 109.705 174.09 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -82.86 -3.15 56.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 110.683 175.416 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.709 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -87.33 -19.13 28.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.769 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.517 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.04 6.7 41.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.154 0.502 . . . . 0.0 111.513 -178.665 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.7 107.07 11.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.742 176.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.689 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 26.6 m-70 -111.35 121.96 46.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -171.666 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.716 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -104.51 122.3 45.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.825 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.29 131.12 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.125 0.488 . . . . 0.0 110.836 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.39 123.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.469 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 45.6 mtt -91.05 137.85 32.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.821 0.343 . . . . 0.0 110.549 176.118 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.7 157.12 23.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.229 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.57 -179.41 43.33 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.302 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t -93.2 68.29 4.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 -177.211 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 78.67 -61.68 3.96 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.877 177.905 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -96.72 -94.1 1.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.586 -176.777 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 24' ' ' GLY . 11.6 m 56.49 -38.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 126.22 1.808 . . . . 0.0 114.262 -177.158 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.17 10.71 3.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.854 -176.543 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -65.86 -15.89 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.755 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 32' ' ' LEU . 61.3 m -96.1 -25.3 15.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 111.339 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -52.33 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.674 0.273 . . . . 0.0 111.716 -175.908 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.55 -40.39 94.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.054 -173.633 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' HG21 ' A' ' 66' ' ' ILE . 20.7 p -68.58 -43.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.629 0.252 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.64 -43.49 98.76 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.879 176.736 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.5 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 89.6 t80 -64.18 -25.89 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.253 -178.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.59 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 66.2 mtm -92.09 -48.77 6.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.899 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -83.61 -14.43 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.73 31.8 11.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.86 177.55 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 176.666 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.53 135.92 36.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.883 -176.645 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -86.41 132.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.8 -70.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.031 0.443 . . . . 0.0 110.165 -177.524 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.33 107.89 9.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 178.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -154.45 90.93 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.041 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 47.3 mt-10 -87.6 -51.78 0.41 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.145 -177.382 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 78.5 Cg_exo -52.0 112.5 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.35 2.033 . . . . 0.0 112.789 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -152.84 47.83 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.75 175.611 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 78' ' ' ILE . 35.6 ttpt -87.02 -56.7 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.563 -179.156 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.5 16.15 9.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.825 0.821 . . . . 0.0 108.798 174.521 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -82.21 79.73 8.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.662 -175.115 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -94.69 159.74 14.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.674 178.114 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -143.26 169.58 17.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 111.709 -175.8 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -123.37 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.298 -173.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 52.8 tptt -125.29 122.74 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -96.54 122.11 39.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.5 m -129.07 144.62 37.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.87 174.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.37 119.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 121.483 0.658 . . . . 0.0 110.279 178.32 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' A' ' 170' ' ' PHE . 91.0 mt -103.86 101.97 11.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.163 -176.523 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 69.08 -1.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.5 171.023 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.48 -24.78 1.36 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.948 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.12 135.39 44.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 117.352 0.576 . . . . 0.0 110.736 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.89 109.23 16.07 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.129 178.457 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.82 145.71 14.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.375 -177.499 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.38 129.01 50.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.264 0.554 . . . . 0.0 110.81 -175.629 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.8 tt -110.94 133.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.512 -177.337 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -103.0 118.19 36.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.342 -175.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 31' ' ' THR . 52.7 mt -109.56 123.0 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.185 0.517 . . . . 0.0 111.698 -171.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.33 117.1 26.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.504 176.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -97.49 108.34 21.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.196 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 78' ' ' ILE . 11.4 p -66.66 135.16 53.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.339 -177.658 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 125.05 24.14 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.794 177.43 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.697 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.82 76.14 2.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.409 179.75 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -165.11 166.15 19.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.367 0.267 . . . . 0.0 110.346 178.657 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -90.93 -14.49 31.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.995 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.3 m-20 -59.69 -71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 111.401 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.578 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.7 m-85 -85.59 64.81 8.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.655 -176.505 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.85 -18.39 62.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.357 176.258 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.85 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.05 -20.51 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 175.624 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.723 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 mt -92.51 -36.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -89.61 -65.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -177.407 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.61 -47.18 23.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.307 0.575 . . . . 0.0 111.55 -174.055 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.85 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 15.3 m120 -77.25 -17.25 58.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.673 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.723 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -80.35 -17.12 52.89 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.91 177.063 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -70.65 72.81 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.493 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.49 ' HG3' ' OE1' ' B' ' 426' ' ' GLU . 16.1 mmm180 -148.69 -71.81 0.2 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.77 177.327 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.8 m -78.77 21.74 0.4 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.907 -176.419 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.39 144.6 15.87 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 176.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.716 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 43.8 mm-40 -88.56 -70.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 -177.155 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.9 150.3 16.88 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.662 -173.701 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -124.01 135.3 53.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.646 HD23 ' HB3' ' A' ' 124' ' ' LEU . 62.3 mt -105.52 115.28 29.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -178.743 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 125' ' ' VAL . 34.8 mt -89.42 106.5 18.49 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 176.78 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' A' ' 126' ' ' VAL . 15.7 m -116.9 137.73 49.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.056 0.455 . . . . 0.0 111.65 -176.005 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 48.9 p90 -156.18 159.14 38.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.729 178.778 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.748 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 46.4 t -86.76 144.06 27.24 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.271 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -72.25 7.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.452 -178.775 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 135' ' ' ARG . 17.4 p -98.26 -22.59 16.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.055 171.268 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.748 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 23.4 mm-40 -96.77 94.38 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.429 -174.756 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -79.0 -18.82 53.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.074 0.464 . . . . 0.0 109.993 -179.068 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -64.23 -52.22 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.445 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -24.5 64.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.0 t80 -64.45 -43.48 94.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.596 174.247 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -71.48 -28.15 63.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.372 0.606 . . . . 0.0 109.981 177.243 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.53 -13.89 61.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.203 -179.176 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.451 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 40.6 p -55.1 -35.52 64.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.812 0.339 . . . . 0.0 111.597 -179.031 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.89 -47.11 86.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.306 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -63.02 -41.1 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.9 m-85 -57.01 -51.12 70.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.432 ' O ' HD13 ' A' ' 112' ' ' LEU . 4.1 ptm180 -68.11 -40.25 82.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.883 -177.85 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.61 -31.05 69.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 0.0 111.23 -177.654 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.1 -32.96 71.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.278 0.561 . . . . 0.0 109.669 177.761 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.7 mt -68.38 -46.76 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.455 175.83 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 108' ' ' ARG . 11.0 mp -64.12 -16.45 61.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 179.073 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.16 -41.82 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.855 0.36 . . . . 0.0 110.636 176.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.32 -23.39 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.939 0.4 . . . . 0.0 111.456 -176.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -124.33 105.97 9.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.203 178.775 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.33 11.52 1.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 178.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.25 24.6 4.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.596 0.712 . . . . 0.0 109.835 -176.88 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -175.63 3.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.135 -176.265 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.95 -75.82 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.239 0.543 . . . . 0.0 109.873 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 65.1 mmtt -151.37 131.42 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.744 178.278 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -92.48 107.77 26.29 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 123.287 0.367 . . . . 0.0 110.362 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 31.9 Cg_endo -92.32 126.56 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.271 2.647 . . . . 0.0 112.47 178.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.67 147.24 44.0 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 178.649 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.646 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.3 tp -135.04 119.13 17.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.072 0.463 . . . . 0.0 109.939 176.498 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 91' ' ' LEU . 17.8 t -88.62 117.07 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.046 -178.831 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.0 t -115.28 123.69 71.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.947 -174.681 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.17 113.35 4.03 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 176.514 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.546 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.6 m120 -91.82 154.68 18.74 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.775 0.288 . . . . 0.0 110.81 -176.352 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER 64.73 36.15 8.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.547 174.12 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 42.3 p -68.92 11.08 0.22 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.99 0.424 . . . . 0.0 112.018 -176.434 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 129' ' ' LYS . 39.2 t70 -79.82 -12.69 59.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.705 0.764 . . . . 0.0 109.465 174.508 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 52.1 mt -83.03 52.15 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.94 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.96 -28.27 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.908 0.385 . . . . 0.0 111.144 -177.617 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.42 -6.54 46.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -178.815 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.5 mtp180 -121.52 2.07 10.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.491 -174.737 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HD2' HG23 ' A' ' 140' ' ' VAL . 34.8 ttp180 -61.7 114.32 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 0.0 111.267 -176.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.42 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 71.8 mm-40 -101.09 -20.25 15.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.664 -179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.5 t -90.94 110.16 40.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.515 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.677 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.0 Cg_exo -60.47 103.24 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 121.347 1.364 . . . . 0.0 109.76 174.412 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 136' ' ' ARG . 2.3 t -56.83 -25.56 22.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.424 -172.698 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.18 -43.36 82.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.441 178.04 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.677 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 18.1 pt-20 -74.96 -26.14 59.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -70.06 -39.94 75.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.0 110.508 176.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.19 -32.13 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.319 177.64 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.1 t -75.78 -29.48 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.925 0.869 . . . . 0.0 108.792 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 13.8 tppt? -65.35 -50.51 65.3 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 114.365 -1.288 . . . . 0.0 110.056 175.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -64.07 -39.8 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 176.828 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.53 -46.74 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.717 177.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.91 -35.21 79.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.755 -177.468 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 43.0 m0 -81.24 -19.8 42.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.282 -177.39 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.22 29.45 19.8 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.91 -178.736 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.49 HG23 ' HB1' ' A' ' 147' ' ' ALA . 15.1 m -122.67 -179.41 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.607 0.242 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.425 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.2 pt20 -104.51 147.1 27.98 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -117.28 122.52 44.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.707 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 38.3 t -127.14 130.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.433 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.58 132.76 33.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.303 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.1 p -115.6 128.16 55.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.31 0.576 . . . . 0.0 111.694 -175.339 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.623 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 5.2 m -103.76 92.03 4.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.447 177.754 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -72.65 5.7 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.293 -174.785 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -87.76 -12.33 45.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.45 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.0 t -147.36 12.33 1.05 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.571 -179.355 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 60.0 27.38 16.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.745 -178.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -70.28 114.33 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.329 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 71.81 0.29 3.46 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.125 0.89 . . . . 0.0 111.869 179.225 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.77 -46.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.452 -178.45 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.59 -35.3 67.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.213 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -56.13 -50.03 72.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.129 -177.583 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.05 -27.57 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.113 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.7 -45.92 41.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.573 0.225 . . . . 0.0 110.589 176.724 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.569 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 49.3 m-85 -68.2 -45.09 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.207 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -50.65 69.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.992 178.486 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.05 -38.88 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.242 -178.426 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.569 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 15.7 ptp -67.67 -29.94 69.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.264 -179.153 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 28.3 mmt180 -63.41 -47.74 80.71 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 173.889 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.6 mm-40 -52.31 -42.67 63.99 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.503 175.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.9 mt -55.93 -37.25 47.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 179.692 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.689 ' HG3' ' HE1' ' A' ' 15' ' ' HIS . 45.3 mtp85 -71.96 -52.47 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 179.46 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.1 m -61.22 -35.06 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.025 -177.496 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.4 mptt -62.68 -50.11 72.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 176.223 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 73.3 mmtt -67.22 -25.21 65.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 0.0 111.011 -178.724 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 65.5 mtt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.496 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.0 m . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.248 0.547 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -64.94 -25.7 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.66 68.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.756 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.11 94.12 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.71 176.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -61.74 -48.15 90.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.48 0.181 . . . . 0.0 110.677 178.113 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -57.39 -43.73 83.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.085 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.75 -36.35 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.144 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 24.9 mm-40 -80.03 -34.1 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' B' ' 443' ' ' LEU . 87.1 mt -57.74 -52.4 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 174.406 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -66.89 -29.09 68.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.651 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 58.7 ttp85 -62.99 -47.78 81.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.3 mm-40 -69.43 -37.77 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.251 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' B' ' 436' ' ' LEU . 40.8 mt-10 -61.35 -42.12 98.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.385 176.238 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.1 -47.76 78.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.788 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 69.7 mt -59.49 -50.86 72.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.561 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.505 HD13 HG13 ' B' ' 432' ' ' VAL . 56.2 tp -64.41 -34.53 78.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.616 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' B' ' 413' ' ' HIS . 64.6 t30 -67.7 -33.96 75.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.654 178.047 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 47.4 t -59.08 -53.7 55.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.765 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.454 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -60.44 -33.44 72.55 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.225 0.536 . . . . 0.0 110.683 175.456 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 18.2 m170 -69.22 -32.78 72.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.923 -177.878 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -77.39 -53.23 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.11 -41.28 92.25 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.682 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 81' ' ' ASN . 9.3 mp -66.46 -25.51 66.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.517 -174.508 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 76.9 mt-30 -58.82 -21.6 56.76 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.672 0.273 . . . . 0.0 111.614 -178.838 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.38 -7.19 88.65 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 92.63 40.77 4.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.19 -178.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.1 mt -114.04 121.9 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -179.01 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -120.57 144.07 48.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.654 0.74 . . . . 0.0 111.522 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.662 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.5 t70 -148.78 152.64 36.89 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.275 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -62.26 -26.55 68.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.82 0.736 . . . . 0.0 110.091 176.401 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 9.9 m -66.44 -36.12 82.0 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.518 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.744 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.39 -37.21 71.57 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.473 -174.033 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.744 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.7 pt-20 -73.57 -38.51 65.17 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.311 -177.198 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 49.6 mt-10 -61.17 -51.2 70.05 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.631 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.617 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.6 mmt180 -65.06 -42.53 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.637 -179.109 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 7.1 mt -54.85 -57.32 12.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 123.378 0.424 . . . . 0.0 111.85 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.645 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 71.9 m95 -64.92 -45.05 87.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -175.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' B' ' 435' ' ' ILE . 7.5 mm-40 -60.54 -53.97 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -177.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' B' ' 435' ' ' ILE . 13.8 p -63.63 -34.2 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.008 0.432 . . . . 0.0 110.396 -179.69 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.31 -46.6 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.602 174.314 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.645 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 13.9 mtt180 -70.73 -33.4 70.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.128 178.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.9 mt -65.87 -43.46 93.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.034 176.637 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 35.0 tp -58.22 -45.57 87.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 174.876 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.575 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.386 -177.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.87 -41.92 91.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 172.451 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.648 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.9 mm? -61.63 -40.35 94.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.322 176.184 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 73.1 mmtt -60.22 -41.61 93.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 176.87 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.06 -43.33 92.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.246 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.5 -35.59 72.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 178.186 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.7 tp -65.74 -40.06 91.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.484 177.489 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -82.34 -6.22 59.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.88 -36.19 11.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 -177.783 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.582 -179.672 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.234 0.274 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -95.51 0.42 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 111.468 -179.546 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.03 109.87 15.56 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.302 0.572 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -118.38 122.05 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.045 -176.278 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 29.6 mmtp -115.2 113.27 23.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 179.265 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -116.28 100.49 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.646 0.736 . . . . 0.0 110.004 175.244 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.68 126.43 42.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 -175.667 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 29.9 mtt -83.95 115.88 22.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.68 177.28 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.82 138.31 21.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.038 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.84 -174.02 33.19 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -178.627 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.611 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 28.6 m -119.72 -80.6 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.108 0.454 . . . . 0.0 111.494 -178.671 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.95 -37.12 0.45 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.163 -175.692 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 -132.35 7.71 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 -177.57 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t 62.71 -56.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.073 0.949 . . . . 0.0 111.556 -172.068 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -56.12 0.69 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -175.399 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB ' ' A' ' 92' ' ' VAL . 29.6 mmmt 69.46 -52.66 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.192 1.397 . . . . 0.0 111.784 173.494 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 m -82.45 -19.51 38.78 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.931 -170.575 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.57 -36.37 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.033 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.6 -46.42 38.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -177.37 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.626 HG21 HG21 ' A' ' 66' ' ' ILE . 26.6 p -70.91 -29.83 66.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -176.65 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.16 -38.71 84.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 175.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.1 mm100 -64.86 -33.61 76.42 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -179.423 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -72.65 -22.98 60.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -176.238 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttp -105.05 -46.2 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.92 -177.066 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.561 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 60.6 m-85 -101.11 -35.55 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.259 -178.419 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 72.6 25.39 2.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.007 0.817 . . . . 0.0 110.534 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 11.9 pt-20 -121.7 151.9 39.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.231 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -75.54 145.94 40.89 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.225 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.82 116.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.477 0.655 . . . . 0.0 112.155 -173.693 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.9 -42.44 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.537 173.113 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -158.43 131.01 7.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.268 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -162.54 101.74 1.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.161 178.78 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.04 -52.25 0.86 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.548 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.05 114.24 1.06 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 178.724 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 t -163.16 -13.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.416 -174.734 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -85.57 -56.34 3.55 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 21.91 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.941 -178.604 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.63 97.19 6.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -173.496 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 96.0 p -91.38 162.88 14.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.482 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.01 134.46 36.63 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 -179.578 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 12.7 ptm180 -112.88 118.97 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.206 -176.16 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 64' ' ' ILE . 48.0 tptt -107.57 142.85 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -97.02 116.31 28.99 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.129 176.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.89 146.19 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.625 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.21 133.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.112 0.482 . . . . 0.0 110.986 176.518 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.39 97.48 5.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.495 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 51.3 81.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.223 0.952 . . . . 0.0 111.521 -175.902 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.87 -129.54 1.89 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.645 179.183 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 pt-20 -113.33 156.2 23.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -174.766 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.73 109.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.721 179.221 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLU . 90.8 t -106.77 139.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.188 -179.12 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.16 124.31 52.25 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.77 178.566 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.623 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.9 tt -104.73 112.19 37.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.198 179.634 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 3.4 t70 -106.97 114.38 28.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.452 -177.671 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.626 HG21 HG21 ' A' ' 31' ' ' THR . 76.7 mt -108.02 121.06 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.804 -170.866 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 13.1 mt -98.0 105.22 17.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.306 172.263 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.74 100.28 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -88.47 133.36 34.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -166.843 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.97 117.53 20.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.163 176.434 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.611 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -79.87 54.65 4.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.312 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -106.26 173.43 6.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -177.819 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.49 7.35 32.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.676 0.751 . . . . 0.0 109.001 175.292 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.56 ' HB2' HD22 ' A' ' 72' ' ' LEU . 4.8 m-20 -82.8 -83.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.892 -178.894 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 417' ' ' GLN . 81.4 m-85 -80.03 81.94 6.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.315 -177.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.46 -20.44 66.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.194 0.521 . . . . 0.0 111.249 178.086 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.449 ' HB2' ' N ' ' B' ' 417' ' ' GLN . . . -68.82 -23.1 64.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.313 179.682 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.66 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.7 mt -88.83 -39.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.91 0.386 . . . . 0.0 110.803 -176.775 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -91.6 -64.65 1.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.083 -177.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.22 -56.84 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.607 -171.874 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.433 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 14.8 m120 -69.05 -40.47 78.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.414 -171.608 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 2.5 m-85 -64.19 -27.83 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.29 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 114' ' ' VAL . 14.4 m-30 -62.66 -27.57 69.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.13 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 64.7 ttt180 -60.14 -55.7 30.68 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -172.674 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.619 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 18.6 m -82.41 15.7 2.38 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 111.539 178.157 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.21 153.07 23.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 176.039 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -98.8 -76.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.817 0.309 . . . . 0.0 110.602 -176.387 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.675 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.91 155.76 16.28 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.102 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -130.65 129.61 42.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.341 0.591 . . . . 0.0 111.236 -176.081 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.71 107.1 19.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.092 179.485 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 HD23 ' A' ' 123' ' ' LEU . 74.4 mt -81.87 105.3 12.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.802 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 126' ' ' VAL . 47.9 t -120.86 113.32 39.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.467 -173.09 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 35.4 p90 -127.89 155.54 44.0 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.041 0.838 . . . . 0.0 109.191 179.179 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.437 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 23.1 t -84.64 139.97 31.68 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.821 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -71.57 1.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.004 0.43 . . . . 0.0 111.316 -177.725 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.531 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 14.8 p -107.49 10.25 29.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.361 0.6 . . . . 0.0 110.234 172.874 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 71.5 mt-10 -122.86 93.62 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.829 176.07 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -69.89 -28.33 65.54 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.934 178.834 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.91 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.221 0.534 . . . . 0.0 110.191 176.47 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 14.9 m -62.75 -31.41 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.604 178.698 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 46.5 t80 -65.36 -51.75 58.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.128 177.819 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 m -65.81 -28.88 69.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 110.763 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.63 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.34 -178.253 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 43.2 p -58.93 -36.67 75.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.757 0.313 . . . . 0.0 111.328 -178.855 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.32 94.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.661 177.317 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 -42.17 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.794 179.484 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.13 -49.46 75.86 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.419 ' HE ' ' HG3' ' A' ' 109' ' ' GLU . 43.0 ttp180 -53.24 -55.57 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.913 178.736 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' HG3' ' HE ' ' A' ' 108' ' ' ARG . 36.2 mt-10 -66.22 -33.04 74.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.116 -175.783 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.99 -32.53 73.82 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.356 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.604 HG22 HD13 ' A' ' 121' ' ' ILE . 92.9 mt -66.34 -45.33 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.66 176.179 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.48 -10.57 59.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 111.116 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -78.06 -34.1 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.96 0.41 . . . . 0.0 110.407 177.73 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -101.51 -18.82 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.567 -178.222 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 45.5 mtpt -111.47 -126.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 177.744 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.05 1.15 2.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.363 0.665 . . . . 0.0 112.24 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -107.4 -0.42 22.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.272 0.558 . . . . 0.0 110.001 177.527 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -107.54 -165.21 1.04 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.18 -176.715 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -70.83 -82.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.197 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.532 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.1 mptt -141.67 133.48 27.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -177.159 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.604 HD13 HG22 ' A' ' 111' ' ' ILE . 85.0 mt -96.28 107.96 38.69 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.346 176.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.675 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.7 Cg_endo -84.01 127.27 4.05 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.217 2.611 . . . . 0.0 111.801 177.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 91' ' ' LEU . 6.4 mp -116.15 133.63 55.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.835 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -128.02 118.9 24.35 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 173.613 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.53 122.15 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.703 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.1 t -112.13 121.79 65.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.018 -176.058 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.9 96.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 175.507 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -82.94 148.89 27.37 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -173.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.704 ' HG3' ' HG ' ' A' ' 132' ' ' LEU . 19.4 tptm 73.06 26.79 2.13 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.997 0.811 . . . . 0.0 110.414 174.304 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 156' ' ' GLU . 33.1 t -64.18 -10.14 21.24 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.896 -178.446 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 1.5 p30 -74.07 -2.57 24.96 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.458 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.704 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 95.5 mt -73.43 -55.17 6.72 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 171.044 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 64.49 -72.73 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.986 0.804 . . . . 0.0 112.147 177.595 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.894 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.9 pt-20 -62.11 -30.2 70.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.041 0.448 . . . . 0.0 111.885 -174.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.894 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 71.1 mtt180 -107.0 14.68 26.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -173.621 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -59.27 117.28 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.061 0.458 . . . . 0.0 110.436 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 34.2 tt0 -78.9 -37.26 40.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.992 -175.045 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.0 p -108.0 117.73 54.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.637 -177.176 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 124.5 15.69 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.053 1.835 . . . . 0.0 110.572 174.77 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.658 HG12 ' HG3' ' A' ' 144' ' ' ARG . 11.2 t -55.59 -22.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.286 -176.726 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.51 -46.3 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.496 -174.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.85 -21.69 60.02 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.836 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -78.28 -41.84 32.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 110.75 178.174 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.658 ' HG3' HG12 ' A' ' 140' ' ' VAL . 56.6 mtp180 -62.71 -38.71 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.4 t -58.03 -50.49 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.703 178.446 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 66.1 mmtt -63.27 -36.38 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.314 -176.063 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.21 87.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.399 175.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.31 -37.61 71.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.04 -34.2 75.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.116 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -88.95 -20.42 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.828 -179.267 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.36 29.4 19.62 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.945 -178.418 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.3 -175.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.769 0.319 . . . . 0.0 110.794 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.835 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -111.84 159.43 18.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.871 176.737 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.431 ' CE2' HG13 ' A' ' 140' ' ' VAL . 88.4 t80 -133.7 114.98 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.5 127.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.879 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 27.9 mt-10 -87.55 145.77 26.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.979 0.418 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.5 p -119.8 134.38 55.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.393 -176.79 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.2 m -118.9 94.34 4.41 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.324 175.081 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.23 -19.42 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.66 -174.378 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.89 -27.54 65.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.147 0.499 . . . . 0.0 110.307 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.0 p -114.81 5.51 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 57.28 28.95 15.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.24 -176.262 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -84.48 119.53 25.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.632 -177.139 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 69.24 7.02 5.99 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.445 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.17 -51.22 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 110.676 -178.585 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -77.04 -24.78 52.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.826 178.707 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -59.56 -51.8 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.37 -174.737 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.87 -26.74 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.152 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.49 -55.4 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.86 177.249 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.4 m-85 -64.07 -39.92 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.192 -176.218 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.5 -52.31 64.09 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.32 0.387 . . . . 0.0 111.778 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.2 tp -72.01 -38.3 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.492 . . . . 0.0 110.251 -178.565 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.623 ' SD ' HD12 ' A' ' 64' ' ' ILE . 38.9 mtp -62.57 -29.96 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.442 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 34.4 mmt180 -63.64 -56.31 16.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.371 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.34 -37.04 69.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.118 -175.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 172' ' ' LEU . 77.7 mt -55.83 -32.6 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.772 -176.709 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -59.98 -39.58 86.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.432 -176.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.9 m -66.11 -30.35 70.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.854 -178.498 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 176' ' ' ILE . 3.0 mptp? -69.08 -42.7 75.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.45 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -69.73 -35.46 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.801 -177.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 176.675 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.462 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.8 m . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.323 0.106 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -56.75 -35.28 68.45 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.518 0.199 . . . . 0.0 111.096 178.807 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.58 -47.72 81.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 175.226 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.8 73.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.994 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.531 ' O ' HG13 ' B' ' 402' ' ' ILE . 21.7 mm -57.53 -46.65 86.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.408 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 98.1 mttt -61.34 -39.23 89.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.46 -179.674 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.7 mt-10 -59.92 -42.66 94.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.282 0.563 . . . . 0.0 109.894 176.568 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.588 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 7.6 tp10 -68.59 -39.15 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.216 178.594 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 398' ' ' ILE . 86.7 mt -56.69 -51.37 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.319 178.285 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.555 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 30.2 mmm180 -60.53 -33.3 72.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.253 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.588 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 46.1 ttt180 -65.57 -51.82 56.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.368 177.049 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' B' ' 436' ' ' LEU . 13.1 mm100 -70.39 -28.01 64.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -177.546 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.555 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -60.13 -51.37 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.027 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -67.93 -38.48 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 -179.477 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 36.4 mt -64.37 -50.81 66.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.822 -179.627 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.619 HD13 HG13 ' B' ' 432' ' ' VAL . 48.9 tp -64.6 -34.53 78.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 110.218 177.108 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.1 -41.34 92.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 176.378 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.5 t -59.78 -54.44 46.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.1 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.502 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.5 mm? -58.37 -33.49 69.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 111.473 178.604 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.4 m-70 -67.52 -35.42 79.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.002 177.915 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -79.04 -51.8 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 176.478 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -59.21 -54.55 45.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -173.868 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.839 HD22 HG13 ' B' ' 420' ' ' ILE . 26.8 mt -68.81 -25.45 64.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.016 0.436 . . . . 0.0 111.119 -177.452 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.635 ' HG3' ' HA ' ' A' ' 75' ' ' TYR . 34.6 tt0 -61.43 -34.73 75.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.013 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.48 5.85 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.273 179.169 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 174.25 122.14 0.66 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.494 -179.721 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.839 HG13 HD22 ' B' ' 416' ' ' LEU . 1.2 mp -68.06 128.38 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 123.048 0.539 . . . . 0.0 110.889 179.293 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.39 -23.24 15.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.297 0.57 . . . . 0.0 111.161 178.479 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.711 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 7.8 m-20 -147.64 141.56 25.85 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.613 -175.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.528 ' HA ' ' OE2' ' B' ' 426' ' ' GLU . 2.5 pt? -60.23 -27.87 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 110.602 171.917 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' B' ' 427' ' ' GLU . 46.2 m -61.93 -31.36 71.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.08 178.464 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.711 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 71.9 mmtt -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 109.79 179.475 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 423' ' ' LEU . 26.6 mt-10 -63.95 -45.25 90.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.791 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' B' ' 424' ' ' SER . 33.6 mt-10 -60.51 -46.18 91.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.975 176.296 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.567 ' O ' HG12 ' B' ' 432' ' ' VAL . 1.0 OUTLIER -64.06 -33.51 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.269 178.758 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.502 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.4 OUTLIER -55.11 -51.38 66.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.979 0.419 . . . . 0.0 110.088 178.184 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.786 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 21.2 m95 -66.7 -49.23 66.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.157 177.904 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 434' ' ' ARG . 6.9 tp10 -59.02 -53.2 61.1 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.614 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.4 p -62.14 -34.48 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 0.0 110.258 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.6 tp60 -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 173.741 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.786 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 1.5 mpp_? -58.72 -39.82 81.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.864 178.013 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' B' ' 432' ' ' VAL . 41.1 mt -65.81 -46.53 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.016 179.167 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.7 -43.81 85.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.681 0.276 . . . . 0.0 110.958 179.358 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 52' ' ' ARG . 10.2 t -74.86 -39.2 61.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.226 -175.888 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.409 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -66.3 -34.94 79.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.395 0.617 . . . . 0.0 109.846 176.47 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 402' ' ' ILE . 34.1 tp -65.82 -38.42 88.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.778 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -57.4 -42.79 82.91 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 110.028 173.292 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -45.73 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.994 177.133 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.537 ' HE3' ' OE2' ' B' ' 445' ' ' GLU . 13.4 mmmm -61.27 -32.17 71.99 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.408 179.378 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.444 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.4 tm? -59.61 -51.28 70.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.125 0.488 . . . . 0.0 110.017 176.465 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.31 -1.41 49.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.275 -178.543 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.537 ' OE2' ' HE3' ' B' ' 442' ' ' LYS . 24.7 tt0 -98.21 -32.64 11.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.066 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.508 -177.658 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.68 8.91 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.313 0.578 . . . . 0.0 111.529 -175.567 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' ' HE2' ' A' ' 16' ' ' LYS . 52.2 tp -131.59 102.0 5.73 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 178.39 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 96.3 m-70 -100.21 142.74 31.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.175 0.512 . . . . 0.0 111.017 -175.19 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE2' ' HG ' ' A' ' 14' ' ' LEU . 65.1 mmtt -119.78 112.13 18.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.242 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.86 114.78 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.175 0.512 . . . . 0.0 110.227 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.409 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.2 mt -99.12 111.0 27.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.515 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.892 ' HG3' ' HD2' ' A' ' 27' ' ' LYS . 56.4 tpp -82.5 104.09 12.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 -177.031 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -107.52 176.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -175.222 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.22 -179.43 33.0 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.226 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 p -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.447 0.641 . . . . 0.0 110.534 178.508 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.755 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -144.23 -87.39 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 174.22 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 27' ' ' LYS . . . -171.3 42.65 0.18 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.744 175.368 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.5 t -40.76 -65.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 124.537 0.786 . . . . 0.0 112.212 -173.878 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 11.61 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.326 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 1.069 ' HB3' HG21 ' A' ' 92' ' ' VAL . 53.2 pttt -71.58 -39.15 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.274 -174.687 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.526 ' O ' HD23 ' A' ' 32' ' ' LEU . 16.5 m -72.01 -23.64 61.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.19 0.519 . . . . 0.0 110.219 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 128' ' ' ASN . 95.9 mt -73.86 -41.31 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.589 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 35' ' ' MET . 19.9 p -60.93 -43.73 98.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.73 -176.697 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 28' ' ' SER . 4.1 mm? -59.11 -28.71 66.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -66.97 -44.89 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.397 0.617 . . . . 0.0 109.721 178.093 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HE2' HG21 ' A' ' 64' ' ' ILE . 60.6 t80 -73.28 -36.36 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 31' ' ' THR . 92.3 mtp -69.0 -53.09 22.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.161 -177.755 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 77.2 m-85 -103.02 -83.9 0.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.454 177.518 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 15.6 t70 172.31 -36.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.879 0.737 . . . . 0.0 110.008 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -96.62 165.63 12.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 0.0 111.93 -171.117 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -76.23 127.19 32.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.773 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' TYR . 7.7 p -77.08 133.62 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.386 -178.872 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -119.48 -36.52 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.175 177.551 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -132.48 94.93 3.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.208 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' HG21 ' A' ' 40' ' ' VAL . 60.3 t80 -170.61 100.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.181 174.713 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.718 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.5 mm-40 -110.38 -41.99 0.11 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.147 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.0 Cg_endo -64.47 84.49 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.56 1.507 . . . . 0.0 113.15 178.459 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 2.7 p -105.84 17.53 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 176.055 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.698 ' HD2' ' CE2' ' A' ' 75' ' ' TYR . 31.8 mtmt -64.97 -57.84 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.979 -170.084 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 21.35 7.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.279 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.15 124.89 46.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.247 -174.593 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 t -131.84 145.92 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.757 178.103 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -122.77 130.48 52.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -74.94 104.68 5.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.445 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 35' ' ' MET . 50.3 tptt -104.78 126.14 51.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -103.58 129.31 50.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.958 172.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 m -133.24 144.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.032 174.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -120.13 132.44 69.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.151 0.501 . . . . 0.0 109.656 176.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.668 ' HB3' HH21 ' A' ' 174' ' ' ARG . 2.6 tt -129.62 109.24 10.84 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.21 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.81 -16.87 0.17 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.532 1.133 . . . . 0.0 113.343 174.219 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.22 -71.77 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 119.019 -1.562 . . . . 0.0 115.204 -178.858 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.1 pt-20 -89.36 141.48 28.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 117.462 0.631 . . . . 0.0 112.074 -168.654 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.18 109.45 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.865 174.767 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.404 HG22 ' HG3' ' A' ' 60' ' ' GLU . 1.1 t -106.92 154.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -171.033 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.75 150.87 32.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.256 178.327 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.7 tt -149.25 131.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.113 -177.234 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 1.6 m-20 -99.69 143.65 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.172 175.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.92 113.56 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 -178.398 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.22 104.36 12.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.199 178.158 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.713 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 20.0 t70 -88.13 96.01 10.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.472 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 p -62.83 135.35 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -175.386 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.96 125.39 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 176.515 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -87.8 58.39 4.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.314 -178.853 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.09 172.19 15.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -80.49 -32.25 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -170.717 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.85 -64.09 0.93 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.263 0.554 . . . . 0.0 111.668 -176.714 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.698 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 42.6 m-85 -79.95 57.65 2.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -174.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.519 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . . . -59.42 -33.62 71.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.385 175.435 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -57.87 -41.92 83.47 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.948 178.242 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.615 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 46.0 mt -73.88 -17.29 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.818 -176.428 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 76' ' ' ALA . 85.0 mtm180 -91.96 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.791 177.463 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.63 -55.11 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.216 0.531 . . . . 0.0 111.91 -175.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -68.56 -23.42 64.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.847 -168.241 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 11.4 m-85 -89.98 -13.16 36.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.081 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.3 m-30 -77.52 80.21 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.29 0.566 . . . . 0.0 111.046 -178.749 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' NH2' ' HG ' ' B' ' 423' ' ' LEU . 1.4 mmt85 -135.12 -80.85 0.43 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 m -80.52 32.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 111.118 -177.744 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.98 126.34 8.89 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.746 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 180' ' ' LYS . 6.1 mm-40 -98.6 -63.81 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 179.353 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.43 119.26 5.32 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.735 -174.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' HB2' HD23 ' A' ' 123' ' ' LEU . 97.1 m-85 -115.34 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.908 0.385 . . . . 0.0 110.013 177.525 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.3 mt -89.79 118.95 29.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.183 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.82 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.069 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.9 m -108.22 143.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.269 0.557 . . . . 0.0 111.886 -175.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.66 152.42 28.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.544 -0.909 . . . . 0.0 108.544 174.17 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.447 ' OG ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 p -92.6 148.98 21.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.194 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.23 8.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.311 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 135' ' ' ARG . 34.2 p -108.32 -31.42 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 174.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' OG ' ' A' ' 94' ' ' SER . 24.9 mm-40 -92.78 91.98 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.191 -178.004 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -69.91 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 -178.501 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.24 -37.21 86.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.119 0.485 . . . . 0.0 110.62 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.47 -29.46 70.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.201 175.77 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -74.13 -31.49 62.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.567 178.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -64.5 -39.52 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.568 177.653 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.09 -15.19 61.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.593 -173.223 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.677 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.7 p -58.71 -30.52 67.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 111.522 -177.377 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.72 74.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 178.849 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -69.8 -30.89 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -178.714 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 23.0 m-85 -57.3 -43.34 83.14 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.55 -54.17 50.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.084 0.469 . . . . 0.0 110.323 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.29 -33.57 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.283 -178.758 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -71.43 -33.74 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.378 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.7 mt -71.54 -45.07 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -68.57 -20.45 64.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 178.417 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -59.99 -33.74 72.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.529 177.479 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.1 m -112.65 -20.15 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.522 -177.785 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 14.0 mmmt -106.33 -98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 -178.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.7 -56.88 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.899 0.88 . . . . 0.0 113.311 178.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -83.34 53.92 2.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.005 0.431 . . . . 0.0 111.481 -173.696 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.2 -169.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.822 -177.845 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -68.41 0.4 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 171.921 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -154.87 155.66 34.76 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.47 HD13 HG22 ' A' ' 111' ' ' ILE . 61.8 mt -105.49 95.09 9.38 Favored Pre-proline 0 C--N 1.313 -0.984 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.498 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.638 ' HB2' HD11 ' A' ' 172' ' ' LEU . 61.4 Cg_endo -71.99 106.55 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.007 2.471 . . . . 0.0 111.848 -176.191 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 89' ' ' PHE . 94.4 mt -102.23 155.11 18.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.409 -178.89 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 153' ' ' GLN . 4.0 tp -150.32 118.35 6.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.711 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.7 t -84.11 115.61 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.978 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.858 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -103.69 109.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.609 -175.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.73 99.05 2.16 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.418 ' HB3' HD11 ' A' ' 30' ' ' LEU . 3.0 p-10 -100.33 163.71 12.26 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.742 -0.269 . . . . 0.0 110.837 -176.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.624 ' HE2' HD21 ' A' ' 132' ' ' LEU . 19.1 tptm 69.47 17.29 8.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.689 178.605 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 p -63.44 -8.7 9.82 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.195 0.522 . . . . 0.0 111.658 -177.07 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.63 -13.46 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.623 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.731 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.8 mt -67.17 -41.69 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.715 -177.655 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 61.29 -76.87 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.396 0.679 . . . . 0.0 112.467 176.855 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.35 -24.67 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 111.375 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 69.3 mtt180 -86.63 -1.69 57.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 95' ' ' ILE . 37.3 ttp180 -58.14 113.67 2.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 111.112 -178.229 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -93.23 -28.75 16.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.9 116.69 53.47 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.313 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.14 128.61 26.99 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.163 1.909 . . . . 0.0 111.434 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -54.68 -22.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.161 178.09 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.58 -53.88 52.47 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.483 179.255 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.73 -23.68 61.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.93 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 178.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.4 mtp180 -68.12 -33.26 74.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.087 177.614 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.5 t -55.65 -54.58 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.622 178.151 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 29.3 mmtp -60.27 -37.54 80.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.771 -177.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.19 89.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.989 0.423 . . . . 0.0 110.513 175.559 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -69.59 -37.47 76.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 178.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 145' ' ' SER . 48.1 mt-10 -65.14 -33.77 76.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -90.45 -29.5 17.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.065 -178.255 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 38.03 3.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.277 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.95 175.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.3 pt20 -96.98 161.97 13.6 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.831 175.366 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.437 ' HE2' HG22 ' A' ' 140' ' ' VAL . 84.3 t80 -130.71 121.31 25.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.645 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.09 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 -177.358 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.46 126.93 34.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.038 176.466 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.7 p -117.02 130.86 56.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.129 0.49 . . . . 0.0 111.166 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.1 m -123.75 104.15 8.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.199 179.039 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.1 -12.63 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.978 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -72.89 -31.28 64.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.108 179.376 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 p -113.35 3.3 15.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.258 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 62.82 27.89 16.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -94.64 127.57 40.69 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.11 -173.549 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 68.38 9.01 7.0 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.306 173.845 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.03 -49.32 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.041 0.448 . . . . 0.0 110.846 -177.785 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.3 -22.95 51.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.228 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.21 -48.91 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.837 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.34 -26.9 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.296 . . . . 0.0 111.725 -177.651 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -75.71 -55.76 5.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.306 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 57' ' ' LEU . 38.4 m-85 -62.47 -40.69 97.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.9 -174.442 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -56.01 -52.44 64.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.905 0.383 . . . . 0.0 110.806 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' PRO . 28.3 tp -71.75 -41.24 68.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.153 -175.694 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.471 ' SD ' HD12 ' A' ' 64' ' ' ILE . 43.0 mtp -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.395 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.668 HH21 ' HB3' ' A' ' 57' ' ' LEU . 13.9 mmt85 -75.68 -39.59 57.27 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.534 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.658 0.266 . . . . 0.0 110.658 178.049 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.663 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.2 mt -55.87 -45.38 79.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.715 178.035 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 181' ' ' MET . 55.7 mtm180 -57.69 -49.75 75.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.219 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -62.87 -35.29 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.192 -178.672 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.84 -32.29 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.662 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 31.4 mmmt -69.35 -41.39 76.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.159 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 59.4 mtt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.854 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.463 ' O ' HG12 ' B' ' 398' ' ' ILE . 21.2 m . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.95 -27.55 66.89 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -178.612 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.22 -56.12 21.41 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.291 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.59 90.65 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.905 178.127 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -59.49 -53.95 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.416 0.15 . . . . 0.0 111.122 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.39 -45.62 87.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.376 -177.633 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.18 -39.4 90.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 27.3 tt0 -71.41 -41.84 69.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.046 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.5 mt -53.43 -52.47 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 O-C-N 123.037 0.211 . . . . 0.0 110.541 176.127 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -58.66 -36.33 73.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.051 -177.695 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 62.5 ttp180 -67.51 -48.68 66.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.466 177.219 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 15.4 mm100 -67.39 -35.98 80.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.441 -175.409 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.568 ' HG2' HD21 ' B' ' 436' ' ' LEU . 42.7 mt-10 -61.27 -47.69 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.185 175.885 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -64.38 -41.9 96.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.028 -179.35 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.7 mt -61.19 -51.94 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.634 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.647 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -66.34 -35.27 79.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.828 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.618 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 60.5 t30 -66.72 -54.49 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 178.775 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 40.3 t -59.15 -45.99 89.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.524 -177.406 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 20.6 mt -52.41 -51.04 61.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.136 178.538 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 4.6 p80 -70.09 -30.5 67.73 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.52 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 19.7 mtm180 -71.56 -52.88 15.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.482 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.47 -46.56 89.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.906 -175.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 81' ' ' ASN . 66.2 mt -63.31 -25.93 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.238 -173.805 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 64.7 mt-30 -59.99 -21.76 61.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.49 0.186 . . . . 0.0 111.307 179.392 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -7.5 44.75 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.204 -0.522 . . . . 0.0 113.014 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.33 9.66 31.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.875 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 56.8 mt -108.35 124.64 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.29 149.91 37.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.495 0.664 . . . . 0.0 110.967 175.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.6 t70 -148.75 161.0 42.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.498 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.551 ' HG ' ' NH2' ' A' ' 84' ' ' ARG . 9.2 mp -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.752 0.31 . . . . 0.0 111.065 -177.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 t -64.13 -37.42 87.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 33.6 mmtt -69.08 -49.69 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.617 -177.864 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 28.2 mt-10 -59.56 -46.8 87.86 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.329 -175.475 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.86 -35.29 69.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.1 -176.746 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.635 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.2 mmt180 -65.92 -37.37 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.313 174.781 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.642 HD11 HD12 ' B' ' 416' ' ' LEU . 21.2 mt -55.37 -57.37 12.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.249 0.343 . . . . 0.0 111.269 -179.046 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -64.55 -35.99 82.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.022 179.136 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.654 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 37.4 tt0 -65.07 -55.41 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.677 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.659 ' HA ' HD12 ' B' ' 435' ' ' ILE . 9.0 p -64.77 -31.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.335 . . . . 0.0 110.459 -179.252 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -54.91 -50.76 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.654 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.0 mtp-105 -61.41 -38.72 88.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.653 0.739 . . . . 0.0 109.799 178.614 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' B' ' 432' ' ' VAL . 63.4 mt -66.1 -47.29 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.832 -177.599 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.568 HD21 ' HG2' ' B' ' 406' ' ' GLU . 2.8 tm? -58.62 -44.45 89.97 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.268 -179.796 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.5 t -68.6 -34.47 75.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.384 -176.784 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.97 -38.56 79.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.111 174.899 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.4 mm? -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.131 177.069 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.27 -38.05 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.402 177.003 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -44.62 90.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.49 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.3 mmmm -59.11 -33.62 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.431 178.349 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' B' ' 402' ' ' ILE . 49.5 tp -64.96 -43.88 91.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -82.78 -4.66 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 110.858 177.356 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.29 -34.67 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.207 179.639 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.731 -179.588 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 177' ' ' ARG . 67.5 mt . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.71 0.29 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -77.14 10.66 2.26 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.346 0.593 . . . . 0.0 111.7 -177.702 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -148.06 132.63 17.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.358 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.465 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 73.6 m-70 -131.03 145.5 52.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.271 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -120.81 115.33 23.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.143 -178.611 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.53 141.47 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 111.695 -179.178 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.24 129.1 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 177.769 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.485 ' SD ' HD12 ' A' ' 90' ' ' LEU . 84.6 mmm -93.02 103.4 15.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.734 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.53 157.23 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.764 0.316 . . . . 0.0 110.912 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.39 145.45 4.18 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.709 -178.489 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 m -60.33 124.37 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.742 0.417 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.413 ' N ' ' HA3' ' A' ' 71' ' ' GLY . . . 60.53 -105.81 0.9 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -173.701 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.794 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -156.58 56.28 0.39 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.523 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.491 ' O ' ' HD3' ' A' ' 129' ' ' LYS . 61.9 t -39.3 -60.41 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.607 0.763 . . . . 0.0 112.942 -176.232 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.69 62.71 0.27 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.918 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.5 pttt -125.1 -42.05 2.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.729 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -64.37 -28.09 69.46 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.935 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.52 -46.74 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.015 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 128' ' ' ASN . 9.2 mp -66.54 -33.74 76.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.523 -174.225 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 HG21 ' A' ' 66' ' ' ILE . 76.8 p -64.81 -46.03 83.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.701 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.08 -36.95 85.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 97.1 mt-30 -69.89 -27.55 64.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.25 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.62 -33.95 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.816 0.341 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.501 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 4.6 mpp? -95.09 -52.78 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.53 -15.63 17.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -173.201 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 38.7 t70 72.4 7.26 5.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.59 0.709 . . . . 0.0 111.142 177.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.35 146.58 28.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.824 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -77.95 144.65 36.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.87 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.19 109.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.786 0.803 . . . . 0.0 111.499 -176.654 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -104.61 -39.23 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.062 173.688 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -151.08 83.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.673 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -162.38 97.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.924 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 mm-40 -113.54 -44.66 0.07 OUTLIER Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.607 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.924 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.6 Cg_endo -42.24 95.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 123.537 2.825 . . . . 0.0 113.753 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.02 82.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.687 175.025 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' O ' HG21 ' A' ' 78' ' ' ILE . 30.7 mmmt -85.95 -60.64 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.654 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.88 5.43 6.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.117 168.876 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.61 108.05 0.16 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.128 -166.731 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 4.2 m -98.54 121.21 40.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.552 175.717 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HD2' ' HG2' ' A' ' 35' ' ' MET . 14.3 t80 -115.29 136.85 52.67 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 20.3 mtm180 -99.59 124.92 45.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 -178.422 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 53.1 tptt -98.65 127.42 44.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.285 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.17 117.08 23.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.103 0.477 . . . . 0.0 110.866 175.409 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG23 ' HB ' ' A' ' 62' ' ' VAL . 27.0 m -125.27 175.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.495 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.9 p -143.86 124.24 9.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.143 172.474 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 88.0 mt -113.69 107.58 15.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.13 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 27.7 t70 76.57 -37.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.885 174.587 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.98 -39.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.105 -1.521 . . . . 0.0 114.516 -178.206 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.2 pt-20 -88.07 133.88 33.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 117.687 0.744 . . . . 0.0 110.272 -177.881 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -75.1 118.43 18.03 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.224 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.9 t -106.45 137.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.361 -168.453 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -114.28 152.55 31.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.995 174.023 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 11.8 tt -141.7 126.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.119 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.789 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 6.7 m-20 -86.87 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' A' ' 50' ' ' SER . 22.1 mm -107.74 112.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.791 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -98.62 105.01 17.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -92.04 119.73 32.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.917 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.4 p -95.43 152.78 18.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 0.0 112.349 -172.788 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.81 111.51 20.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 170.192 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 23' ' ' GLY . . . -79.94 69.34 3.09 Favored Glycine 0 C--O 1.228 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.344 -175.115 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -151.5 -179.02 7.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.778 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -93.9 -9.13 38.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.754 0.311 . . . . 0.0 111.548 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -71.88 -66.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.469 -177.892 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' HB3' HG13 ' A' ' 78' ' ' ILE . 49.1 m-85 -79.04 66.43 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.882 -175.586 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.46 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 111.65 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.14 -6.08 40.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.556 -177.312 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.447 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 10.4 mt -102.27 -32.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.044 0.449 . . . . 0.0 110.806 179.383 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.26 -65.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.832 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.5 -46.45 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.352 0.596 . . . . 0.0 110.969 -171.197 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 10.9 m120 -72.35 -16.86 61.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.421 -174.096 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.8 OUTLIER -86.76 -6.96 58.67 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.283 -0.26 . . . . 0.0 111.602 177.761 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.35 16.03 0.39 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.09 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.3 -73.32 0.43 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 178.444 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.7 m -80.49 3.92 19.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.02 117.53 6.45 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.072 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 41.4 tt0 -87.87 -73.83 0.47 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.431 0.292 . . . . 0.0 111.011 -174.909 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.57 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.78 151.95 20.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.184 -179.611 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' HE2' ' HZ3' ' A' ' 115' ' ' LYS . 90.6 m-85 -130.08 127.16 39.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.996 0.427 . . . . 0.0 111.381 -176.174 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.1 mt -107.3 110.84 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.172 176.229 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.34 106.05 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.097 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 113.16 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.332 . . . . 0.0 110.749 -178.48 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.95 173.74 10.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 46.6 t -113.16 142.88 45.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 -179.629 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.21 9.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.247 0.546 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.725 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 23.3 p -132.59 -46.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.669 177.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 17.3 mt-10 -69.87 90.67 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.627 175.117 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -63.48 -27.15 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.987 -170.565 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.51 -42.25 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 82.5 p -70.93 -29.72 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -66.47 -43.38 85.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 m -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.176 0.513 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.42 -15.04 62.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.423 -176.545 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.6 p -55.47 -41.89 73.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.688 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.68 98.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.67 -46.28 90.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.24 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.4 m-85 -57.04 -51.42 69.33 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.388 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -58.21 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -177.736 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.94 -31.83 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.988 -175.141 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.1 -32.13 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 178.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.7 mt -67.96 -47.16 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.484 176.578 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.63 -13.0 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.595 -179.749 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -73.66 -36.24 65.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.959 0.409 . . . . 0.0 110.318 176.524 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.9 m -103.58 -24.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.534 -177.797 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.1 mtpt -117.42 110.4 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.397 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.08 -31.12 3.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.344 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -130.13 25.77 5.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.142 0.496 . . . . 0.0 110.355 -175.366 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.24 -15.67 35.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.009 -172.738 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.3 t70 73.18 -52.37 0.71 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.672 0.789 . . . . 0.0 111.517 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HE3' ' HB3' ' A' ' 179' ' ' LYS . 11.9 mptt -80.58 80.95 6.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -176.703 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 115' ' ' LYS . 21.3 mt -130.51 85.37 56.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 170.342 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.57 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 31.0 Cg_endo -97.52 120.83 0.16 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.639 2.892 . . . . 0.0 112.272 175.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 9.2 mp -108.07 130.1 55.11 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.103 0.477 . . . . 0.0 110.59 179.073 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.612 HD13 ' CG ' ' A' ' 153' ' ' GLN . 4.4 tp -124.4 118.57 26.98 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.834 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.1 t -82.21 116.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.871 -177.269 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.62 109.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.629 -175.281 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.22 101.64 2.75 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.131 175.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.454 HD21 HD11 ' A' ' 30' ' ' LEU . 6.1 t-20 -110.45 -174.9 2.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -177.814 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 25' ' ' VAL . 14.3 mmmm 66.0 29.61 10.06 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.132 0.491 . . . . 0.0 110.144 179.806 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -71.09 16.73 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.354 -177.578 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.09 -38.45 90.76 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.471 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 96' ' ' THR . 6.2 mp -83.6 58.58 4.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.258 175.133 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -72.27 -39.06 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.822 0.344 . . . . 0.0 110.161 -178.627 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -79.64 -30.24 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 110.062 177.339 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.7 mtt180 -94.5 23.56 5.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.983 -175.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.0 112.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.725 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 54.3 tp60 -86.22 -35.48 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.071 -174.066 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 95' ' ' ILE . 14.8 p -110.58 124.22 33.7 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.963 177.504 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.66 126.21 19.24 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.689 2.259 . . . . 0.0 112.873 -177.294 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.459 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -62.01 -22.99 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.819 175.817 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.88 -50.77 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.758 177.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.04 -23.66 30.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.076 -179.617 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.37 -48.3 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.069 0.461 . . . . 0.0 110.454 176.5 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 20.8 mtp180 -64.56 -39.45 93.77 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.177 175.63 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.3 t -55.05 -42.11 72.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.352 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.1 mmtt -68.86 -39.29 79.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.477 179.314 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.69 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.37 0.605 . . . . 0.0 110.231 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.35 -31.09 70.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.322 179.115 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.12 -46.27 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.977 178.227 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -79.27 -13.92 59.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.087 -176.054 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.35 32.39 16.67 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 33.8 m -117.83 -178.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.748 0.309 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.612 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -102.46 156.15 17.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 177.937 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 93.2 t80 -126.31 119.65 27.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 177.712 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 124' ' ' LEU . 87.5 t -125.74 124.86 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -86.02 132.18 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.78 175.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 29.2 p -127.13 130.13 49.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 110.999 -176.282 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 15.0 m -110.73 101.63 10.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.582 178.14 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -173.534 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -76.08 -6.58 51.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.908 0.385 . . . . 0.0 111.248 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.0 p -130.69 -1.4 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.43 . . . . 0.0 110.182 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 66.31 21.58 10.96 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.796 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.54 118.89 19.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.237 -175.689 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 66.69 9.37 6.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.191 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.3 -41.97 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -76.27 -37.65 57.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.121 178.808 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -54.98 -49.5 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.353 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -34.89 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.256 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -75.6 -44.64 41.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 178.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.0 m-85 -69.64 -40.21 76.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.698 -178.118 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.83 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 110.353 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.6 tp -62.54 -43.87 97.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 176' ' ' ILE . 9.7 ptp -66.61 -29.12 69.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.527 -178.22 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 17.3 mmt180 -66.6 -47.61 72.14 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.622 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.495 ' HG3' HE22 ' A' ' 153' ' ' GLN . 5.4 mm-40 -64.48 -30.17 71.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.645 175.336 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.714 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 25.1 mt -56.32 -49.35 77.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 168.863 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.601 ' HG2' HD22 ' A' ' 12' ' ' LEU . 37.5 mtp85 -58.09 -40.19 80.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 175.792 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 175' ' ' GLU . 12.2 m -55.79 -39.21 70.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 178.296 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.535 ' HB3' ' HE3' ' A' ' 120' ' ' LYS . 13.6 mptt -73.45 -36.65 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.668 0.27 . . . . 0.0 111.307 178.179 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 18.2 mmmt -73.36 -34.68 65.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.434 -177.715 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.465 179.867 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.446 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.0 m . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.787 0.327 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.71 -27.35 68.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.336 -178.618 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.71 24.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.437 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.404 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -66.09 -35.44 90.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.911 -179.839 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 402' ' ' ILE . 28.9 mm -58.48 -47.55 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.144 0.497 . . . . 0.0 110.096 177.571 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -58.55 -40.21 82.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.431 -179.39 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.404 ' OE2' ' HA2' ' B' ' 397' ' ' GLY . 42.9 mt-10 -60.46 -43.06 97.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.947 179.407 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 439' ' ' LEU . 30.2 mt-10 -81.08 -27.48 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.796 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.6 mt -54.73 -53.26 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 170.659 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -63.31 -30.76 71.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 9.7 ttm-85 -62.27 -50.71 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.288 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.468 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.6 mm-40 -70.65 -31.86 68.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.954 -176.676 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.8 mt-10 -60.01 -44.31 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.425 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -69.22 -44.14 72.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.65 177.744 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 57.3 mt -59.89 -51.7 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.024 -178.046 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.23 -35.07 79.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.707 0.289 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.5 -43.57 98.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 109.836 176.133 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -60.07 -51.0 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.438 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.559 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.42 -41.95 73.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.697 0.284 . . . . 0.0 111.454 175.577 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -64.78 -48.88 72.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.981 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.54 -39.31 91.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.662 0.268 . . . . 0.0 111.369 -177.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.88 -48.72 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.2 mp -75.07 -40.36 60.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.284 -178.738 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -69.97 -9.52 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 -179.34 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -84.92 -8.02 83.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 172.791 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.99 -0.21 24.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.897 176.823 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.749 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 55.4 mt -112.58 115.74 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.552 -177.639 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.574 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 28.9 t70 -150.19 171.96 16.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.504 -176.121 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.16 -32.57 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.9 0.381 . . . . 0.0 110.578 178.785 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 32.8 t -61.5 -31.6 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.334 0.588 . . . . 0.0 109.715 177.672 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' B' ' 416' ' ' LEU . 59.3 mmtt -72.1 -52.9 14.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.778 -176.24 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.9 -42.99 99.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.472 -174.498 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 41.5 mt-10 -63.94 -43.38 96.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.426 177.498 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.463 ' HA ' ' HG2' ' B' ' 431' ' ' GLU . 16.6 mmt180 -64.23 -35.92 82.41 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.311 177.701 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 28.6 mt -55.82 -53.56 55.27 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.289 -179.356 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.476 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 76.7 m95 -66.38 -41.96 88.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.964 -177.792 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.506 ' O ' HG13 ' B' ' 435' ' ' ILE . 10.2 pt-20 -72.69 -41.58 65.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.673 -177.159 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.746 ' HA ' HD12 ' B' ' 435' ' ' ILE . 6.8 p -66.3 -35.08 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.424 0.63 . . . . 0.0 110.328 -178.233 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -60.69 -42.35 96.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.309 175.332 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -57.41 -37.21 72.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.171 176.671 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' B' ' 432' ' ' VAL . 7.5 mt -68.37 -49.01 70.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.855 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' B' ' 405' ' ' GLN . 20.8 tp -58.73 -43.62 90.26 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 177.07 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 434' ' ' ARG . 7.1 t -69.2 -32.98 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -178.144 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.08 -40.59 82.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.853 174.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.68 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -57.04 -45.48 83.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 177.512 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.7 -32.92 74.56 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.337 0.589 . . . . 0.0 110.262 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.14 -46.91 60.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.366 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.7 mmmt -58.47 -39.69 80.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.037 178.395 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.453 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.2 tm? -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 -179.605 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -82.65 -2.63 54.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.436 -178.437 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.46 -51.75 4.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.448 176.015 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.477 -175.113 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.5 5.76 37.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 176.053 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 tp -112.09 130.71 55.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.339 178.063 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -133.25 139.06 46.74 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.862 -173.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -114.26 114.52 26.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.857 -178.147 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 58.5 t -131.91 128.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -178.384 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 HD12 ' CE2' ' A' ' 89' ' ' PHE . 42.3 mt -110.21 134.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 110.332 175.781 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 31' ' ' THR . 94.9 mmm -91.19 120.11 31.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.53 177.373 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 91' ' ' LEU . 30.9 m -94.77 170.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.583 -173.841 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 27' ' ' LYS . . . 160.06 -177.6 36.46 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.162 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -124.37 -69.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.218 0.532 . . . . 0.0 109.609 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.94 -108.88 1.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.242 176.285 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.89 63.64 2.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.5 -178.714 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 93.0 t -84.46 -16.09 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.717 0.77 . . . . 0.0 109.804 176.523 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA3' ' NZ ' ' A' ' 129' ' ' LYS . . . 92.15 13.8 57.0 Favored Glycine 0 C--N 1.322 -0.198 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.327 -177.571 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.07 -8.1 54.22 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.368 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -100.59 -6.0 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 -177.804 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -73.19 -50.57 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 111.045 177.419 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 165' ' ' VAL . 96.2 mt -63.79 -32.3 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.551 -171.822 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.461 ' CG2' ' HG3' ' A' ' 19' ' ' MET . 8.2 p -63.77 -55.3 24.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 -177.675 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -35.96 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 179.48 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 86.3 mt-30 -65.53 -52.32 53.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.37 -179.397 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.37 -35.45 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.54 -176.879 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtm -75.0 -48.58 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.55 -4.47 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.457 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.34 33.76 22.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 36.6 tt0 -144.22 151.43 39.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 -179.011 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -75.03 115.5 14.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 176.809 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.12 114.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.267 0.556 . . . . 0.0 111.09 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -86.16 -59.88 2.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.357 174.522 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -124.69 129.85 51.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -174.84 89.3 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.9 mt-10 -75.88 -53.48 2.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.994 -171.594 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.38 124.19 12.96 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.544 1.496 . . . . 0.0 111.82 177.107 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.526 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -149.82 39.42 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 171.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 50.5 mtmt -85.48 -46.91 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.353 -177.401 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.63 7.9 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.684 0.754 . . . . 0.0 109.238 176.708 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.4 m-20 -79.43 80.58 5.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.333 -176.129 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 67' ' ' LEU . 50.2 m -125.35 123.66 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HE1' ' HG3' ' B' ' 440' ' ' LYS . 79.5 m-85 -118.61 149.15 41.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -174.412 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' HB3' ' A' ' 63' ' ' GLN . 43.4 mtp180 -92.24 125.77 37.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.849 -178.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -98.76 126.79 44.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.793 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -95.66 124.16 39.55 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.225 174.823 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.22 144.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.889 175.478 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 60' ' ' GLU . 4.8 p -122.06 115.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.562 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -106.79 99.81 9.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.583 0.706 . . . . 0.0 111.085 -177.866 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 57.9 43.4 21.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.713 -1.13 . . . . 0.0 112.516 177.718 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.08 -55.05 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.798 -1.192 . . . . 0.0 115.119 171.169 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -88.62 131.2 35.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.413 0.607 . . . . 0.0 111.342 -171.36 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.92 111.35 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.167 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.43 143.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.072 -172.881 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HB3' HH21 ' A' ' 52' ' ' ARG . 8.2 mm100 -113.5 117.62 32.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.726 -172.49 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 15.1 tt -111.28 126.3 68.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 0.0 110.28 175.787 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -110.46 110.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.873 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.21 151.6 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-O 121.343 0.592 . . . . 0.0 112.033 -175.692 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 68' ' ' ASP . 19.9 tp -119.77 132.19 55.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.78 174.678 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t0 -98.92 -176.2 3.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 172.311 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -153.32 148.96 27.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.915 -0.491 . . . . 0.0 111.285 -174.443 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB2' ' HG2' ' A' ' 47' ' ' LYS . . . -77.36 140.76 40.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.513 171.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.01 67.49 3.59 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.928 -177.895 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.9 OUTLIER -155.65 169.89 23.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.508 -177.351 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -100.66 -2.9 31.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.351 0.596 . . . . 0.0 109.707 178.548 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -63.01 -64.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.643 -178.078 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.53 ' H ' HD13 ' A' ' 72' ' ' LEU . 73.8 m-85 -80.58 72.27 7.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.674 -175.206 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.56 -24.07 67.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.837 176.354 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.495 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -67.06 -18.83 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.564 -179.16 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 47' ' ' LYS . 64.6 mt -92.84 -36.59 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 -178.522 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -85.52 -63.94 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.828 -178.785 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.83 -55.96 19.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.141 -172.124 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 23.3 m120 -65.8 -35.43 80.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.277 -172.156 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' B' ' 409' ' ' LEU . 22.2 m-85 -73.8 -31.08 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.197 -0.314 . . . . 0.0 111.664 -179.797 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.659 ' HB3' HG21 ' A' ' 114' ' ' VAL . 4.3 m-30 -63.37 -24.64 67.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.904 -177.492 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.751 ' HG2' ' HB ' ' A' ' 114' ' ' VAL . 20.3 mtp-105 -68.01 -49.56 60.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 -178.128 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 73.2 m -85.85 21.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 175.731 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.39 126.1 8.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.356 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 16' ' ' LYS . 45.2 mt-10 -86.14 -74.06 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.63 0.252 . . . . 0.0 111.363 -178.036 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.94 151.45 19.5 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.398 -177.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CE2' HD12 ' A' ' 18' ' ' ILE . 88.9 m-85 -134.62 133.15 39.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.41 . . . . 0.0 111.24 -178.125 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 124' ' ' LEU . 65.2 mt -96.03 113.9 25.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 171.876 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 20' ' ' VAL . 28.1 tp -89.76 106.02 18.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.468 -176.212 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.863 HG12 ' HB ' ' A' ' 126' ' ' VAL . 21.3 m -119.16 142.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 111.412 -175.293 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.55 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 31.1 p90 -153.51 156.56 38.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.178 177.007 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -88.93 129.78 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.389 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.69 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.37 1.0 2.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.523 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 132' ' ' LEU . 23.7 p -85.93 -40.68 15.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.278 0.561 . . . . 0.0 109.591 174.494 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.92 104.42 16.23 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.635 -179.507 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.298 -175.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.13 -28.75 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 -177.463 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 17.9 m -64.93 -25.85 68.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 178.393 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -74.15 -34.51 63.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.273 178.433 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -28.38 64.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.556 0.693 . . . . 0.0 109.941 177.265 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.97 60.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.042 -176.767 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.463 ' HB ' ' HH2' ' A' ' 150' ' ' TRP . 41.7 p -54.2 -45.07 72.1 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.977 0.418 . . . . 0.0 111.232 -179.548 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.03 94.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 176.81 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.772 179.145 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 111' ' ' ILE . 25.2 m-85 -58.01 -50.95 71.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.416 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 111' ' ' ILE . 57.0 ttt180 -62.5 -46.57 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.035 -177.15 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.0 -35.24 80.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -65.64 -32.24 73.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.285 0.564 . . . . 0.0 109.922 177.321 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.7 mt -65.3 -40.11 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.153 177.746 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.18 -29.7 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 177.242 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -59.47 -31.12 69.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.751 ' HB ' ' HG2' ' A' ' 84' ' ' ARG . 31.9 m -100.06 2.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.648 -179.317 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.898 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.2 mtmm -143.44 -91.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.13 -47.09 0.62 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.927 0.891 . . . . 0.0 112.911 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -88.61 24.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.48 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.898 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 56.4 mm-40 -93.69 173.83 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.19 -179.65 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.15 -74.48 0.09 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.007 179.607 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -143.76 141.82 30.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.154 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -119.57 99.7 49.67 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -88.92 125.4 1.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.123 2.548 . . . . 0.0 113.079 -177.598 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 6.7 mp -117.36 151.82 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 177.183 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.653 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.0 tp -133.92 115.94 15.01 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.235 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.485 HG22 HD23 ' A' ' 91' ' ' LEU . 6.5 t -84.03 118.64 31.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.271 0.557 . . . . 0.0 110.377 -175.458 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.863 ' HB ' HG12 ' A' ' 92' ' ' VAL . 25.6 t -121.57 122.26 66.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.719 -176.492 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.46 111.24 3.52 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 173.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -89.28 145.83 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.14 0.47 . . . . 0.0 111.198 -174.452 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 131' ' ' ASP . 6.4 mppt? 61.5 40.37 13.82 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.126 178.522 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.9 m -72.81 30.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.232 0.539 . . . . 0.0 111.058 174.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 129' ' ' LYS . 28.8 t70 -87.78 -17.58 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.673 -179.459 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -68.37 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.01 178.299 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.09 -57.14 0.61 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.607 0.763 . . . . 0.0 111.966 -177.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -19.32 60.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -173.1 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -104.82 15.09 28.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.552 0.215 . . . . 0.0 111.458 178.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 136' ' ' ARG . 32.7 ttm180 -69.51 112.38 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.468 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.08 -3.15 35.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.2 p -114.24 121.17 36.92 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.433 . . . . 0.0 110.557 176.79 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.71 118.12 4.95 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.354 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -67.2 -19.81 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.606 179.47 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.84 -52.87 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.546 179.641 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 145' ' ' SER . 2.1 pt-20 -87.3 -18.4 30.26 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.893 178.625 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -62.89 -44.51 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.512 . . . . 0.0 110.165 176.549 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -71.38 -36.16 71.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.919 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 142' ' ' GLU . 23.3 t -60.1 -35.96 76.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.811 176.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -61.33 -38.64 87.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.687 0.28 . . . . 0.0 111.1 176.26 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.73 -44.17 97.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.736 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.24 -41.09 92.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.119 175.618 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.88 -40.39 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.246 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.463 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 40.9 m0 -92.63 -7.61 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.687 -175.704 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.55 35.99 21.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.435 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.75 -178.63 2.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.568 0.223 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.653 ' HG3' HD13 ' A' ' 124' ' ' LEU . 9.1 pt20 -103.99 157.63 16.97 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.681 174.927 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 89.4 t80 -121.57 122.74 40.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.607 176.172 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.55 130.04 72.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.524 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.09 140.28 29.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.6 p -127.95 130.44 48.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.115 0.483 . . . . 0.0 111.641 -174.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 14.0 m -93.81 91.49 6.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.833 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.08 -1.36 12.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.194 -174.084 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -83.83 -18.49 37.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.699 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.0 p -130.75 3.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.29 -178.59 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.402 ' HA ' HG21 ' A' ' 165' ' ' VAL . 73.5 mtp180 62.32 24.25 14.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.559 -176.103 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -71.83 118.94 15.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.996 -178.249 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 163' ' ' ALA . 4.9 m-20 74.22 0.71 3.68 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.947 0.78 . . . . 0.0 111.719 177.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.4 t -68.72 -48.55 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.376 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.85 -34.42 78.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -175.174 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -52.03 -51.71 55.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.084 -176.748 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 23.0 m -60.64 -27.37 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.323 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -74.93 -48.53 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 0.0 110.512 178.142 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -67.8 -41.12 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.25 -51.37 66.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.999 -176.053 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.6 tp -61.64 -35.84 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.554 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.483 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 56.8 mtm -60.88 -30.63 70.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.153 177.905 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -66.45 -42.19 87.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 178.389 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 18.8 mt-10 -66.59 -37.38 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.234 177.813 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 172' ' ' LEU . 71.7 mt -56.81 -34.05 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.852 179.536 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.05 -49.03 76.14 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.78 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.3 m -62.45 -38.96 91.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.7 mptt -62.7 -44.49 96.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.914 177.784 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.33 -34.34 74.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.237 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.949 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.429 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 8.8 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.232 0.539 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.2 -26.73 68.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.93 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.74 -55.25 31.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.502 -177.192 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.12 -37.88 93.45 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.275 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 402' ' ' ILE . 29.5 mm -58.19 -50.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.625 0.25 . . . . 0.0 110.869 178.777 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 61.8 mttm -58.66 -45.62 88.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.545 -177.818 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.61 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.099 179.237 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.471 ' HG2' HD21 ' B' ' 439' ' ' LEU . 14.8 tt0 -68.0 -34.02 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.887 0.375 . . . . 0.0 110.158 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.662 ' HA ' HD23 ' B' ' 439' ' ' LEU . 45.5 mt -57.12 -51.44 69.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.346 173.599 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 399' ' ' LYS . 21.3 mmm180 -59.35 -32.97 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.681 -179.467 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.4 ttm180 -65.94 -48.4 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 177.917 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -70.78 -36.94 73.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.952 -175.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 67.9 mt-10 -61.28 -38.54 87.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -71.5 -43.25 66.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.099 176.591 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 71.0 mt -57.32 -46.47 83.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.306 178.716 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.604 HD11 ' OH ' ' A' ' 82' ' ' TYR . 21.9 tp -71.66 -36.88 70.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.405 -178.899 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 62.2 t30 -67.78 -43.15 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.951 179.824 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 411' ' ' SER . . . . . 0.814 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 10.2 t -62.13 -42.65 99.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.39 -177.74 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.443 ' CB ' HD21 ' B' ' 429' ' ' LEU . 33.1 mt -63.78 -37.61 88.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 110.443 174.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.4 m170 -61.67 -33.18 73.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.811 175.87 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.814 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 80.3 mtm180 -74.34 -43.49 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.963 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.28 -51.63 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.935 -177.739 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.542 HD21 ' CG ' ' B' ' 425' ' ' LYS . 62.5 mt -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.755 -177.176 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 31.5 tt0 -72.43 -12.25 61.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.32 -177.254 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.34 0.45 89.67 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.41 177.81 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.69 -10.18 45.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.302 177.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 46.1 mt -89.07 143.21 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.537 ' HA ' HD22 ' B' ' 416' ' ' LEU . 0.5 OUTLIER -149.85 149.67 30.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 111.737 175.053 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.617 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 23.9 t70 -148.24 163.08 38.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.396 175.745 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.67 -32.64 71.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.667 0.27 . . . . 0.0 110.98 -177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 16.8 t -64.61 -31.87 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.006 0.431 . . . . 0.0 109.866 178.627 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.6 mmtt -64.06 -54.23 37.36 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.318 0.58 . . . . 0.0 110.879 -176.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.432 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 11.2 pt-20 -64.81 -36.59 84.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.195 -175.12 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.6 mt-10 -65.56 -49.75 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.107 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 23.7 mmt180 -61.09 -39.86 91.54 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.62 179.245 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' B' ' 429' ' ' LEU . 9.5 mt -57.29 -42.94 82.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.591 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -67.0 -42.17 85.47 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.291 175.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.582 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 46.0 mt-10 -59.02 -55.44 35.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.306 -178.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.6 t -58.31 -35.41 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.799 -178.331 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 26.0 tp60 -56.73 -58.43 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.288 -178.7 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.611 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -70.85 -25.32 62.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.988 -178.766 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 432' ' ' VAL . 81.9 mt -62.98 -49.94 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 173.644 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.02 -44.23 82.63 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.12 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.611 HG22 ' HA ' ' B' ' 434' ' ' ARG . 2.4 t -69.82 -40.45 75.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.399 -177.466 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -61.8 -35.44 78.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.5 0.667 . . . . 0.0 109.653 175.768 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 402' ' ' ILE . 7.4 tp -66.81 -40.27 88.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.834 179.182 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.402 ' HG3' ' HE1' ' A' ' 51' ' ' TYR . 29.7 mmtp -63.85 -33.05 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 177.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 1.2 tmt_? -66.43 -44.32 83.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.164 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -58.24 -37.16 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.829 178.043 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.457 ' HB2' HD11 ' B' ' 402' ' ' ILE . 3.2 tm? -62.62 -44.97 94.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.345 178.659 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -82.53 -2.35 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.402 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.28 -35.2 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.016 178.444 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.075 -176.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.822 0.344 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 12.9 3.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.24 0.543 . . . . 0.0 111.39 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -135.74 115.71 13.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.676 176.899 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 13.7 m-70 -115.4 152.68 32.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.938 -179.763 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.909 ' HG2' ' HB2' ' A' ' 65' ' ' ASP . 35.0 mtmt -135.82 122.19 20.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.363 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.04 128.73 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.256 0.55 . . . . 0.0 110.145 177.443 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 HG21 ' CE1' ' A' ' 83' ' ' PHE . 63.6 mt -102.2 124.33 56.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.52 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.516 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 60.7 tpp -88.04 111.82 21.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.789 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.14 150.32 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 0.0 111.002 -179.218 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.69 173.0 24.63 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -176.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 p -98.57 -175.29 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.37 0.585 . . . . 0.0 111.045 -178.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.01 35.33 2.75 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.31 -0.472 . . . . 0.0 113.424 -175.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.23 -15.41 1.01 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.676 178.346 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 t -75.86 -23.8 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.62 31.64 58.38 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.287 -174.198 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HE2' ' HG3' ' A' ' 19' ' ' MET . 11.4 ptmm? -58.11 -23.78 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.462 0.705 . . . . 0.0 112.663 -175.182 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 m -76.3 -25.77 55.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.296 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 178.012 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 159' ' ' ALA . 87.5 mt -74.02 -35.66 64.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.749 -177.71 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.536 ' HA ' ' HZ ' ' A' ' 169' ' ' PHE . 23.7 p -67.57 -54.58 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 7.4 mp -70.56 -14.58 62.56 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.558 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.32 -30.39 68.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.193 177.014 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.97 -26.45 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.1 -178.296 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.737 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -76.33 -35.03 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.854 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 76.9 m-85 -116.5 4.72 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -168.667 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.0 m-20 71.66 -58.0 0.59 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.646 0.591 . . . . 0.0 110.201 -175.626 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.11 127.53 52.61 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.763 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.704 ' HB3' ' HA ' ' A' ' 33' ' ' GLN . 2.5 t80 -154.95 128.09 8.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.438 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' HB ' ' O ' ' A' ' 39' ' ' PHE . 5.4 p -176.28 107.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 121.955 0.883 . . . . 0.0 111.131 152.538 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -98.8 12.86 34.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.462 175.145 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 40' ' ' VAL . 1.9 t70 66.04 95.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.196 -173.407 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.67 134.9 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.078 -165.606 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.746 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 8.6 tp10 -126.45 -58.31 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 174.941 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 14.4 Cg_endo -55.9 103.76 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.381 2.054 . . . . 0.0 112.952 -176.67 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.69 79.61 0.64 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.345 179.214 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -88.54 -59.07 2.33 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.858 176.015 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.92 -31.78 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.722 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.22 149.94 48.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.148 -170.239 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.5 m -151.92 -177.47 6.16 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.028 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.22 142.09 51.57 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.389 -170.485 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 6.4 tpp180 -78.07 132.42 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.746 176.917 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.737 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.1 tptt -127.8 132.37 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.176 175.363 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.61 131.68 52.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.577 174.025 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' A' ' 53' ' ' LYS . 26.5 m -140.36 149.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -136.56 110.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.477 0.656 . . . . 0.0 110.492 173.307 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.44 97.4 7.15 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 48.98 81.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.386 -174.626 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.65 -126.34 1.71 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.986 -1.102 . . . . 0.0 114.23 178.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -113.63 169.07 9.24 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.202 0.201 . . . . 0.0 110.616 -173.587 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.32 107.82 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.579 -179.281 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.8 t -106.93 140.5 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.154 -178.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -113.69 153.16 29.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.962 0.41 . . . . 0.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 17.4 tt -134.82 131.79 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.962 -176.84 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.909 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 20.3 m-20 -90.8 126.69 36.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 176.726 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.1 mm -108.91 136.03 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.645 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.76 109.21 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.704 0.288 . . . . 0.0 110.343 177.14 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.95 94.63 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.186 0.517 . . . . 0.0 110.054 176.215 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -61.07 138.34 58.2 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.291 -176.773 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -64.1 142.78 58.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.342 177.621 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 51.87 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.658 179.061 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HG ' ' HB1' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -132.56 174.59 10.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.863 -0.168 . . . . 0.0 110.732 -178.822 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.96 12.75 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.391 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HB2' HD13 ' A' ' 72' ' ' LEU . 15.7 m-20 -87.16 -76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.333 0.587 . . . . 0.0 112.095 -176.613 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -78.08 79.61 4.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.217 -169.65 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.42 -17.66 62.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 110.565 174.321 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.842 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.78 -6.86 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.35 179.474 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.712 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 65.6 mt -104.09 -28.88 2.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 178.626 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -93.21 -64.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.98 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.64 -54.63 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.268 0.556 . . . . 0.0 111.274 -176.351 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.842 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 93.5 m-20 -72.35 -16.96 61.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.444 -172.484 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.712 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -92.52 -25.35 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.883 -176.228 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.613 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -75.49 68.15 2.11 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' NH2' ' HE3' ' B' ' 421' ' ' LYS . 18.9 mmt180 -129.04 -67.45 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -177.672 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -84.22 32.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.395 -178.521 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.85 135.7 12.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.025 -179.058 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 3.5 mm-40 -84.73 -65.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.847 0.356 . . . . 0.0 110.206 -177.541 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.95 157.15 15.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.247 -175.285 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -123.82 132.49 53.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 111.238 -178.402 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.7 mt -96.42 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.904 175.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 125' ' ' VAL . 43.7 tp -100.74 106.58 18.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.307 -176.265 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.48 140.08 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.09 0.471 . . . . 0.0 111.612 -174.299 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -140.3 172.75 12.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.709 177.281 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.4 p -123.6 147.73 47.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.928 0.394 . . . . 0.0 110.66 179.316 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -81.01 -5.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.981 -175.901 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.602 HG21 HD22 ' A' ' 132' ' ' LEU . 1.1 p -94.78 -44.96 7.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.435 174.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.96 93.26 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.677 178.354 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 46.5 t-80 -60.28 -24.18 64.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 -177.167 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.41 -48.65 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.066 177.162 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.8 p -67.1 -32.38 73.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.368 -175.015 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.25 -46.16 78.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.672 -179.589 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.1 m -72.71 -28.32 62.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.3 0.572 . . . . 0.0 110.434 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.21 -14.11 60.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.25 -177.45 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 p -50.37 -47.27 56.28 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.107 0.479 . . . . 0.0 111.403 -179.008 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.09 95.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.561 178.098 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.54 -41.65 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.141 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.473 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.9 m-85 -58.7 -48.13 82.18 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.429 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' ILE . 49.8 ttp180 -62.77 -41.82 99.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.821 -178.584 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.69 -35.32 79.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.179 179.014 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -68.76 -31.84 71.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.627 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 107' ' ' PHE . 83.2 mt -66.85 -52.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.643 176.294 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.5 mp -70.01 -13.63 62.31 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.984 0.421 . . . . 0.0 111.132 -179.145 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 113' ' ' ARG . 35.7 ttt180 -71.4 -35.61 71.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.182 0.515 . . . . 0.0 110.031 178.738 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.828 HG23 ' HG3' ' A' ' 115' ' ' LYS . 31.8 m -105.2 -25.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.072 -177.836 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.828 ' HG3' HG23 ' A' ' 114' ' ' VAL . 6.5 mtpm? -129.2 109.08 10.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.361 -179.044 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.95 14.11 0.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.748 0.309 . . . . 0.0 111.543 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -136.11 26.08 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 109.841 -177.011 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -96.24 -174.08 2.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.369 -175.209 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -72.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.167 172.329 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.735 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 73.9 mmtt -145.0 132.25 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.232 -177.073 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.6 mt -108.7 99.57 34.66 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.777 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.721 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 92.3 Cg_endo -84.68 136.39 6.23 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.906 2.404 . . . . 0.0 112.625 -179.551 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.58 149.33 43.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.43 179.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.771 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.5 tp -136.12 114.5 11.69 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.767 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 91' ' ' LEU . 7.4 t -87.04 119.32 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.253 0.549 . . . . 0.0 109.679 -177.879 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.88 136.18 51.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.231 -175.52 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.18 117.8 5.98 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.215 175.606 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 63.8 t30 -107.78 168.82 9.0 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' HD21 ' A' ' 132' ' ' LEU . 2.7 mptm? 73.0 31.65 1.46 Allowed 'General case' 0 C--O 1.223 -0.306 0 O-C-N 123.678 0.611 . . . . 0.0 111.489 -179.385 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.8 m -71.29 -2.46 16.27 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.83 -0.544 . . . . 0.0 110.366 176.598 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.45 -25.76 63.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.78 -177.059 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -81.52 -53.11 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.545 -177.743 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 66.26 -69.84 0.11 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.548 0.739 . . . . 0.0 112.153 -177.655 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.2 pt-20 -61.46 -27.05 68.29 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.127 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 27.9 mtp180 -92.0 18.05 8.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.517 -174.88 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.597 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -68.24 113.26 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.504 -179.765 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 36.6 tt0 -91.11 -29.55 17.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.623 -177.912 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.7 124.21 33.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.776 0.322 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.69 120.18 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.268 1.979 . . . . 0.0 110.895 175.753 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.0 p -71.94 -6.42 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.184 0.516 . . . . 0.0 110.82 -175.214 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.86 -52.78 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.563 176.411 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 11.4 pt-20 -74.86 -21.52 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -178.899 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.0 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 177.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 21.8 mtp180 -67.42 -39.13 85.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.176 0.513 . . . . 0.0 110.112 177.324 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.4 t -56.37 -34.49 66.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.878 176.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 75.2 mmtt -62.6 -47.94 81.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.816 178.027 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.14 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.28 -42.59 88.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.3 -25.16 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.524 -179.394 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -91.9 -4.34 54.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.187 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.72 41.08 89.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.337 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.42 179.21 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.771 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.83 149.19 24.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.787 176.346 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -127.44 114.95 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.607 174.41 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 168' ' ' VAL . 1.4 p -135.71 142.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.048 178.231 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.21 153.43 22.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 111.718 -176.852 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.0 p -141.16 166.58 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.508 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.9 m -152.67 116.23 4.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.708 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.632 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -86.13 -30.15 22.75 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.487 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.429 ' HD2' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -76.5 -23.03 53.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.933 0.397 . . . . 0.0 110.636 -175.6 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 2.1 p -106.97 -5.46 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.976 174.658 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HG3' ' OE1' ' A' ' 33' ' ' GLN . 6.5 mpt_? 60.16 80.66 0.2 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.474 -179.641 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -150.13 127.53 11.45 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 67.37 5.24 4.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 171.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.491 HG11 ' CB ' ' A' ' 33' ' ' GLN . 18.2 t -69.09 -37.1 76.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 111.079 -175.473 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -72.04 -29.77 64.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.37 -48.08 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.289 -177.778 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.416 HG12 HG13 ' A' ' 155' ' ' VAL . 35.5 m -69.97 -29.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.683 -175.671 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' A' ' 31' ' ' THR . 29.7 m-85 -70.38 -55.91 7.94 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.64 178.672 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.2 m-85 -61.12 -34.68 75.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.24 -178.122 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.9 -51.96 67.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 -178.22 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 176' ' ' ILE . 41.3 tp -69.47 -34.66 74.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.18 0.515 . . . . 0.0 110.246 179.181 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.6 mtp -61.05 -32.25 71.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 178.165 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 27.4 mmt180 -68.41 -43.08 77.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.606 175.935 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.0 mt-10 -60.69 -34.68 74.71 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.392 0.433 . . . . 0.0 111.499 179.078 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 172' ' ' LEU . 72.5 mt -55.88 -32.43 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.391 -178.632 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.9 m -65.84 -34.5 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.712 -178.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.735 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.7 mptt -68.84 -42.28 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -179.388 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -75.02 -29.94 60.95 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 C--N 1.328 -0.349 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.795 177.975 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -62.53 -29.9 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.006 -178.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.73 -54.61 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.24 -37.1 92.63 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.136 -179.503 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.424 ' O ' HG13 ' B' ' 402' ' ' ILE . 42.7 mm -58.18 -50.5 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 110.113 177.457 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 402' ' ' ILE . 60.1 mttm -61.31 -34.77 75.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.383 -178.89 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 43.0 mt-10 -61.55 -48.64 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.881 178.387 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' B' ' 404' ' ' ARG . 18.8 mt-10 -68.49 -32.46 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 88.3 mt -57.17 -52.95 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.55 -38.0 71.3 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 178.437 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.463 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 34.6 ttm180 -62.72 -44.81 95.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.855 -178.95 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.481 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.2 mm-40 -75.85 -31.3 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.327 -178.376 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.1 mt-10 -60.37 -41.7 94.28 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.154 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.12 -52.34 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.402 176.588 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HB2' HG21 ' B' ' 432' ' ' VAL . 93.5 mt -58.2 -48.31 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.693 179.642 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.654 ' HG ' ' CE1' ' B' ' 413' ' ' HIS . 18.9 tp -61.63 -45.96 91.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.168 -179.414 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -56.2 -44.4 79.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.086 179.517 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 17.6 t -60.77 -54.73 41.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.265 -178.591 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.592 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -57.86 -31.91 67.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.862 0.363 . . . . 0.0 111.374 178.615 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.654 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 35.8 m170 -69.45 -46.58 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.855 176.27 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -70.73 -52.93 17.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.298 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.84 -40.67 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 111.491 -175.24 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -74.17 -25.87 59.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.916 -177.548 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.15 -20.52 65.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 176.188 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.04 -3.78 70.03 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.251 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.51 -0.38 59.72 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.07 178.593 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 45.3 mt -97.5 116.42 39.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.415 ' HE3' ' NH2' ' A' ' 84' ' ' ARG . 25.5 pttm -138.45 153.1 48.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.292 0.568 . . . . 0.0 110.263 177.445 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.03 163.31 37.27 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.8 mp -63.68 -29.24 70.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.8 -178.004 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.8 t -65.42 -34.97 79.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.847 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 44.3 mmtt -73.35 -47.36 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 -177.228 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 32.6 mt-10 -61.78 -47.75 83.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.957 -175.199 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.72 -36.01 82.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 175.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.531 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 tpt180 -66.53 -39.99 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.474 179.036 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.39 -53.17 60.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.48 179.358 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -64.9 -34.09 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.88 0.372 . . . . 0.0 110.794 178.637 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.662 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 37.2 tt0 -67.83 -56.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.035 -175.174 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.68 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.2 p -64.41 -33.96 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.289 0.566 . . . . 0.0 110.013 -178.85 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.83 -51.38 67.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.805 177.851 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.672 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.3 OUTLIER -70.85 -26.82 63.44 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.132 -175.314 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' B' ' 432' ' ' VAL . 33.6 mt -69.69 -47.11 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.242 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -58.53 -43.91 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.697 178.698 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.672 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.4 t -73.23 -30.23 63.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.656 0.265 . . . . 0.0 111.177 -177.007 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.15 -38.26 85.21 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 174.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.6 -34.34 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.289 175.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 35.2 mmtp -61.74 -41.48 97.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.276 0.56 . . . . 0.0 110.049 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.6 tmt_? -67.09 -42.43 84.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.376 178.806 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -58.67 -34.68 71.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.045 176.487 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.64 87.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.781 178.837 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' B' ' 444' ' ' ARG . 37.3 mtt180 -81.64 -1.94 48.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.687 178.714 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -85.97 -33.26 21.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.224 0.535 . . . . 0.0 109.752 174.625 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.831 -179.984 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.82 0.819 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.22 20.75 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.366 -174.682 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.0 tp -123.0 101.86 7.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.023 0.44 . . . . 0.0 109.858 177.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -112.99 133.88 54.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -171.268 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.777 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -96.88 125.32 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.501 0.191 . . . . 0.0 110.822 177.775 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.68 110.24 25.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.57 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -101.97 118.45 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.553 -178.017 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.691 ' HG2' HD12 ' A' ' 90' ' ' LEU . 86.4 mtp -89.94 122.92 33.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.694 178.763 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 92' ' ' VAL . 34.8 m -117.54 152.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 -176.723 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.15 167.67 40.67 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 14.8 t -58.92 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.9 0.35 . . . . 0.0 110.55 -177.92 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -122.26 24.46 6.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.033 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 65.57 44.29 93.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.764 -179.661 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.73 -64.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 33.51 2.68 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.268 -177.207 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.786 ' HG2' HG21 ' A' ' 92' ' ' VAL . 4.8 mtmp? -79.16 -21.98 45.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 110.604 -176.568 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 m -92.71 -17.88 23.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.21 -54.62 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.399 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 159' ' ' ALA . 93.1 mt -64.82 -35.66 81.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -177.082 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' MET . 2.5 p -70.46 -37.14 74.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.382 -178.927 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HG ' HG22 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -60.38 -43.96 96.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 109.928 176.934 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.3 mm100 -62.6 -37.26 85.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.953 177.52 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 36.0 t80 -72.36 -12.43 61.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.021 -178.886 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' THR . 89.1 mtp -97.39 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.705 0.288 . . . . 0.0 111.699 -178.364 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 97.6 m-85 -118.88 2.5 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.684 -174.172 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 62.71 18.2 10.42 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.447 0.467 . . . . 0.0 111.722 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 12.0 pt-20 -106.14 155.78 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.549 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -80.03 148.33 31.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 -177.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HG ' ' A' ' 32' ' ' LEU . 33.5 t -69.94 108.09 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.175 -177.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.22 -65.84 0.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 172.578 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -148.94 110.03 4.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.807 0.813 . . . . 0.0 110.061 172.244 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -160.32 91.5 0.93 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.844 176.074 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.7 mm-40 -90.39 -34.58 0.38 Allowed Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.074 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 75.1 Cg_exo -43.71 94.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.479 2.12 . . . . 0.0 113.925 177.575 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.4 p -154.72 22.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.271 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.08 -55.87 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.694 -175.221 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 26.91 6.73 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 171.299 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.01 93.79 4.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.984 -170.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -97.8 171.12 8.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -148.27 150.48 33.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.899 0.381 . . . . 0.0 110.629 177.32 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -95.2 105.97 17.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.125 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 58.8 tptt -101.41 123.9 46.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.113 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 1.1 tmmt? -107.57 120.36 41.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.008 178.218 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 m -127.64 143.8 39.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.908 -179.567 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.9 p -98.57 102.4 13.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.944 0.878 . . . . 0.0 109.967 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.87 99.74 11.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.029 -177.263 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 49.97 70.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.93 -51.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 114.277 172.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.08 135.43 37.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 117.531 0.665 . . . . 0.0 111.279 -173.375 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 45.1 mt-10 -82.69 108.13 15.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.706 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.99 151.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.666 -172.452 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -114.11 139.4 49.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.184 0.516 . . . . 0.0 110.116 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.75 130.01 68.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.67 -176.622 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 6.5 m-20 -87.73 117.46 26.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.379 178.598 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.26 121.8 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.323 177.336 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -121.3 103.91 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.776 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.6 t0 -85.11 91.33 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.289 -176.751 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 79' ' ' ARG . 34.9 p -60.02 153.04 22.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.568 -176.76 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.01 153.15 27.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.08 175.125 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.537 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -99.08 54.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.124 -178.76 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -160.11 152.22 20.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 110.847 179.408 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.65 -13.13 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.507 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -54.11 -64.14 0.92 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 110.264 175.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.592 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.5 m-85 -93.49 55.76 2.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.351 179.397 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -18.39 62.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.916 178.06 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.576 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.12 -7.42 48.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.381 176.802 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG12 ' CE1' ' B' ' 413' ' ' HIS . 78.4 mt -100.47 -41.86 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.225 0.536 . . . . 0.0 110.121 176.243 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HA ' HG22 ' A' ' 69' ' ' THR . 34.0 ttp180 -91.58 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.785 -173.676 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.01 -42.85 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.517 -166.793 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.576 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 11.7 m120 -67.42 -42.33 83.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 111.836 -175.151 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.458 ' OH ' HD21 ' B' ' 409' ' ' LEU . 28.7 m-85 -62.53 -15.73 52.12 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.611 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -59.01 -28.28 66.25 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.53 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.461 ' NH2' ' HA ' ' A' ' 81' ' ' ASN . 1.9 mpp_? -53.72 -52.26 60.69 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.281 0.363 . . . . 0.0 111.904 -175.207 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.536 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 15.0 m -93.84 21.52 6.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -178.528 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.88 143.13 17.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.603 -179.094 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 50.6 mm-40 -88.96 -75.63 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.753 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.27 157.19 15.18 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.325 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.54 132.21 48.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.049 0.452 . . . . 0.0 111.291 -174.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 19' ' ' MET . 82.6 mt -99.88 105.7 17.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 178.239 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.7 106.67 12.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.225 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.836 HG12 ' HB ' ' A' ' 126' ' ' VAL . 32.8 m -107.21 134.3 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.226 0.536 . . . . 0.0 111.314 -177.77 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -143.81 150.53 38.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.335 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 97' ' ' GLU . 3.2 p -100.95 148.57 24.85 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.751 177.399 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.57 -7.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.584 -178.314 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.502 ' CG2' HD22 ' A' ' 132' ' ' LEU . 1.6 p -94.97 -45.96 7.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.068 175.551 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 2.1 mp0 -81.44 91.55 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.006 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -65.2 -30.51 71.42 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.458 -172.255 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.83 -19.38 63.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 111.081 -175.445 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.508 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.8 m -66.11 -30.26 70.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.946 0.403 . . . . 0.0 110.739 178.205 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.649 ' HZ ' ' HG3' ' A' ' 146' ' ' LYS . 69.2 t80 -74.44 -24.53 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.312 0.577 . . . . 0.0 110.431 -179.235 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -37.66 62.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.295 0.569 . . . . 0.0 109.59 176.264 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.39 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.229 -179.552 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.743 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 12.4 p -59.33 -28.48 66.86 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.045 0.45 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -48.64 68.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 178.296 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.8 -25.11 61.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.57 -179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.743 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-30 -55.82 -38.15 69.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.134 -177.726 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 150' ' ' TRP . 74.9 mtp180 -53.31 -59.1 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.394 178.201 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.99 -32.13 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.638 -177.743 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.69 -34.64 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.901 0.382 . . . . 0.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.9 mt -72.98 -39.94 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 177.096 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.54 -15.16 63.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -76.17 -32.3 58.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 176.671 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.0 m -100.35 -28.1 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.356 -179.062 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 32.0 mtmt -129.38 110.58 12.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 177.882 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.67 1.65 1.18 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.44 173.681 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.01 23.23 6.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.011 0.434 . . . . 0.0 110.745 -177.518 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.602 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -109.39 -168.09 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.652 -177.794 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.5 m-20 -63.99 -72.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.854 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.944 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 56.9 mmtt -159.27 150.59 20.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.662 0.267 . . . . 0.0 110.512 -179.654 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.9 mt -114.4 101.85 54.45 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -176.593 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 132.77 4.69 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.998 2.465 . . . . 0.0 112.174 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' HG11 ' A' ' 152' ' ' VAL . 6.1 mp -127.5 150.42 49.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.33 178.742 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.834 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.4 tp -144.54 122.47 12.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.165 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.465 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -90.15 118.87 36.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.229 0.537 . . . . 0.0 109.715 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.836 ' HB ' HG12 ' A' ' 92' ' ' VAL . 40.2 t -109.15 112.81 42.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.835 -174.903 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.78 115.25 4.31 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 175.598 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.3 173.6 6.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.044 0.422 . . . . 0.0 111.551 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.2 OUTLIER 74.14 26.56 1.65 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.884 178.224 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 m -72.52 36.22 0.07 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.294 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.9 t70 -103.47 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.303 0.573 . . . . 0.0 110.222 178.517 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.546 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -71.3 -50.61 30.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.227 -179.28 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 66.84 -72.43 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.375 0.67 . . . . 0.0 112.211 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.8 17.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.19 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HB2' HD13 ' A' ' 132' ' ' LEU . 63.7 mtp180 -124.07 14.92 9.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.855 0.359 . . . . 0.0 110.344 176.642 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.601 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 20.8 ttm180 -67.4 113.14 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 0.0 110.145 -179.066 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -87.55 -33.64 18.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.064 -175.658 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.48 129.36 24.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -176.802 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.452 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 11.5 Cg_endo -56.37 110.43 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.676 2.251 . . . . 0.0 111.024 174.232 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.0 OUTLIER -73.09 -16.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.879 0.371 . . . . 0.0 111.026 -173.197 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -49.24 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 177.831 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.452 ' HG2' ' HG2' ' A' ' 139' ' ' PRO . 0.1 OUTLIER -69.11 -26.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.337 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.09 88.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.415 175.943 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.3 mtp180 -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 174.608 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 t -61.69 -39.19 90.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.431 177.861 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.649 ' HG3' ' HZ ' ' A' ' 101' ' ' PHE . 45.0 mmtm -58.6 -53.13 61.77 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 176.287 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.12 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.707 -178.935 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.14 -39.88 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.55 -39.51 88.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.212 0.529 . . . . 0.0 110.553 178.465 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.457 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 40.3 m0 -71.98 -12.64 61.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 -179.681 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.56 30.17 41.23 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.938 -178.434 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 123' ' ' LEU . 35.2 m -127.57 179.57 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 121.078 0.466 . . . . 0.0 111.294 -177.904 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.834 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -106.16 151.89 24.16 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.818 176.632 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -120.28 127.03 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.861 174.681 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -126.94 134.97 64.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -178.504 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.57 124.07 31.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.783 174.105 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.0 p -126.72 136.26 52.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.373 0.606 . . . . 0.0 111.961 -175.011 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m -123.83 105.38 9.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.194 176.93 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -79.48 -3.71 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.237 0.541 . . . . 0.0 110.291 179.552 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -77.89 -44.31 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.833 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.0 t -107.17 7.65 29.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 59.41 57.75 3.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.103 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.43 125.56 49.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.359 -177.317 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 70.37 15.09 7.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.1 0.875 . . . . 0.0 112.036 175.332 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 33' ' ' GLN . 56.5 t -67.23 -45.81 85.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.942 0.401 . . . . 0.0 110.255 178.738 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.56 -43.54 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.594 -179.486 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -46.96 -56.48 6.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.289 -177.178 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.58 -32.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -172.834 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -75.23 -51.36 13.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.348 179.756 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.544 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 44.1 m-85 -69.58 -37.49 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.673 -175.752 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.79 -45.48 92.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.517 -177.598 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.94 -42.55 66.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.454 -178.519 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.544 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 17.7 ptp -64.29 -28.78 69.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.723 -176.748 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -59.1 -51.13 71.36 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.535 177.331 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.628 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.2 mm-40 -54.03 -37.32 63.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.421 178.773 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 173' ' ' MET . 67.0 mt -56.28 -29.44 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.447 -177.677 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -66.74 -53.4 33.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.9 m -64.79 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.828 -176.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.944 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 11.3 mptt -59.23 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.66 177.576 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 12' ' ' LEU . 66.8 mttm -75.17 -32.67 61.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.883 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.704 ' O ' HG12 ' B' ' 398' ' ' ILE . 34.3 m . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.28 -38.87 69.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.037 0.446 . . . . 0.0 110.62 -178.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.14 -52.79 64.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.687 175.743 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.45 91.86 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 394' ' ' THR . 45.6 mm -58.27 -49.72 80.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 178.14 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -59.33 -38.85 81.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.196 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.87 -39.64 83.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.928 178.03 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' B' ' 439' ' ' LEU . 50.6 mt-10 -65.62 -43.37 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.853 176.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.664 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.4 mt -55.72 -53.14 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.303 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -54.84 -41.22 70.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 178.518 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 71.0 ttt180 -59.88 -52.03 67.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.707 178.163 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.1 mm-40 -70.54 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.73 -176.082 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' B' ' 436' ' ' LEU . 44.0 mt-10 -60.12 -47.96 83.73 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.67 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.77 -42.53 85.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 96.0 mt -58.74 -47.91 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 110.452 178.32 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.621 HD23 HG13 ' B' ' 432' ' ' VAL . 3.2 tm? -72.41 -36.89 68.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.446 -179.037 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 177.791 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 26.6 t -59.71 -49.65 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.042 178.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 70.3 mt -58.51 -40.52 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 110.539 176.097 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.423 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.1 m170 -62.79 -45.54 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.777 -179.497 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -76.94 -30.12 55.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.17 -53.47 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.24 0.543 . . . . 0.0 110.984 178.443 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.592 HD12 HD11 ' B' ' 429' ' ' LEU . 70.3 mt -68.5 -25.95 65.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.624 -176.142 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.97 -17.0 62.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.639 179.336 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.17 12.47 62.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.115 178.291 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.52 -31.72 7.78 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 50.4 mt -58.19 137.6 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.824 0.45 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.481 ' HA ' HD22 ' B' ' 416' ' ' LEU . 8.8 ptpp? -159.98 149.62 18.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.278 0.561 . . . . 0.0 111.161 174.431 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.7 t70 -150.41 159.15 44.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.035 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.451 ' H ' HD23 ' B' ' 423' ' ' LEU . 2.6 pt? -64.1 -29.26 70.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.245 -179.834 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.7 m -64.78 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.178 0.513 . . . . 0.0 110.269 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 31.6 mmtt -69.37 -53.32 20.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.094 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.66 -46.3 84.43 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.188 -174.463 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.91 -41.22 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.908 -178.307 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.538 ' O ' HG12 ' B' ' 432' ' ' VAL . 26.0 tpt180 -70.7 -31.63 68.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.35 -179.386 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.592 HD11 HD12 ' B' ' 416' ' ' LEU . 14.4 mt -55.81 -56.41 20.91 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.053 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.61 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 53.8 m95 -61.43 -41.79 97.74 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.43 0.456 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 28.2 mm-40 -64.22 -56.44 14.62 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.882 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.621 HG13 HD23 ' B' ' 409' ' ' LEU . 14.8 p -62.1 -34.29 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.271 0.558 . . . . 0.0 109.945 -178.685 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -57.31 -53.37 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.042 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.748 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.94 -26.68 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.023 -178.426 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.0 mt -65.91 -45.93 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.6 tp -58.1 -42.67 86.19 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 175.752 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.748 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -73.56 -31.14 63.47 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.517 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.84 -36.45 83.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 173.327 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.985 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -63.23 -38.29 90.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.946 176.019 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.92 -34.06 76.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.027 177.089 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.97 -46.45 81.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.771 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.985 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.2 mtpt -59.06 -36.11 74.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 178.156 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -66.26 -41.69 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.458 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -82.08 -5.18 58.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.111 0.481 . . . . 0.0 110.568 178.505 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.49 -34.72 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.179 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.798 -178.08 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.55 10.91 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.567 0.699 . . . . 0.0 110.532 177.863 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -139.14 129.91 26.14 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.013 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -129.31 152.45 48.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.905 0.383 . . . . 0.0 111.05 -175.598 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -122.02 109.01 14.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.3 177.639 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.55 119.24 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.143 179.899 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 83' ' ' PHE . 62.5 mt -115.02 131.62 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.3 mtt -92.66 117.38 29.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.082 0.468 . . . . 0.0 110.107 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.95 133.25 40.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.776 -178.728 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.07 157.4 29.62 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 p -72.98 -82.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.174 -176.542 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.74 -74.26 1.25 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.69 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.49 66.11 0.32 Allowed Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.668 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.747 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.5 t -83.41 49.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.217 0.532 . . . . 0.0 110.456 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.13 15.76 74.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.632 179.482 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' HG21 ' A' ' 92' ' ' VAL . 59.4 pttt -76.06 15.02 0.6 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.681 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -130.28 -14.23 3.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.799 173.06 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . . . -72.83 -55.49 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.662 -174.169 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.02 -36.63 80.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.401 -174.281 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -64.7 -40.85 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.716 179.637 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' VAL . 22.4 tp -64.78 -42.45 95.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 86.2 mt-30 -65.39 -35.94 82.46 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 177.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.19 -39.11 68.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 179.029 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.515 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 60.2 mtm -83.15 -50.74 8.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.106 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 80.8 m-85 -105.54 -3.05 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 21.8 t70 74.91 -15.31 0.66 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.113 0.565 . . . . 0.0 111.976 178.239 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.13 154.07 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.513 . . . . 0.0 111.26 -172.809 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HD1' ' NE2' ' A' ' 33' ' ' GLN . 83.8 t80 -77.5 152.51 34.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.825 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.4 t -59.08 99.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.242 0.544 . . . . 0.0 111.43 -177.365 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -90.48 -47.77 7.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.739 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -169.3 120.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.576 175.581 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 9.4 t80 -134.14 101.61 5.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 41.9 tt0 -78.03 -56.24 1.08 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.708 -177.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 15.7 Cg_endo -56.93 118.92 5.86 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.106 1.871 . . . . 0.0 111.626 179.293 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -165.2 0.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.524 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HE3' HD21 ' A' ' 72' ' ' LEU . 38.7 mmtm -84.88 -59.65 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.5 176.415 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.25 -5.88 6.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.31 0.576 . . . . 0.0 110.694 172.559 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -91.36 87.36 6.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.47 -173.81 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -101.58 -171.77 2.04 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 173.493 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 78.2 t80 -132.59 137.95 47.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.992 0.425 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' B' ' 434' ' ' ARG . 29.8 ttm180 -88.97 119.89 29.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 58.6 tptt -97.87 133.63 42.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.781 -176.56 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -100.25 126.54 46.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 175.271 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.89 178.27 5.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.874 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.7 p -140.88 103.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.524 0.678 . . . . 0.0 109.462 172.402 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.478 ' H ' HG23 ' A' ' 62' ' ' VAL . 34.5 tp -88.5 97.27 10.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.109 -173.444 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 42.79 63.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 124.342 1.026 . . . . 0.0 112.24 177.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.94 -89.61 0.2 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.344 -1.408 . . . . 0.0 114.418 177.336 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 56' ' ' VAL . 15.3 pt-20 -101.13 154.8 18.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.618 0.247 . . . . 0.0 110.519 -172.467 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -69.44 128.3 36.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.282 0.563 . . . . 0.0 110.41 -179.407 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 57' ' ' LEU . 2.2 t -112.5 143.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.794 -174.807 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 11.4 mm100 -112.15 119.14 37.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.864 -177.432 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -109.12 116.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.38 0.609 . . . . 0.0 109.659 177.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 26.1 t0 -95.4 120.66 36.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.149 -176.734 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.27 143.49 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.014 0.435 . . . . 0.0 111.331 -171.735 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.535 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 59.6 tp -122.85 112.99 18.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.306 172.776 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -91.04 115.73 28.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.031 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -86.48 134.2 33.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 111.776 -173.568 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 150.66 25.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.671 176.283 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.74 51.99 4.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.888 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.612 HD21 ' HE3' ' A' ' 47' ' ' LYS . 1.5 pp -158.41 169.08 25.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -177.476 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -102.81 -13.7 16.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.963 175.343 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -44.01 -70.2 0.11 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.146 -0.934 . . . . 0.0 113.431 -176.026 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.0 m-85 -61.24 -20.12 62.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.698 -170.608 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.21 -65.91 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.873 1.358 . . . . 0.0 112.689 176.595 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.973 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.57 -31.34 24.21 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.264 1.026 . . . . 0.0 112.351 -176.673 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 50.9 mt -67.18 -32.99 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.973 0.416 . . . . 0.0 110.209 178.818 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -94.61 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.433 178.689 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -46.68 21.69 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -170.199 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.973 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 27.6 m-80 -71.89 -22.63 61.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -172.619 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -82.13 -30.97 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 17.8 m-30 -65.57 -15.39 62.67 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -172.799 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -53.47 -53.56 49.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.726 0.298 . . . . 0.0 111.393 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -94.26 43.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.649 0.738 . . . . 0.0 109.761 176.965 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.59 157.61 21.34 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.118 178.592 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -121.02 -81.42 0.64 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.14 146.04 16.07 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 -179.34 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.82 135.68 51.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.345 -176.715 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 124' ' ' LEU . 90.7 mt -102.1 117.12 34.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.807 175.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.632 HD21 HD23 ' A' ' 123' ' ' LEU . 64.5 mt -86.79 106.76 17.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.849 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 27' ' ' LYS . 26.9 m -102.13 121.89 53.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.187 0.518 . . . . 0.0 111.334 -176.521 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.747 ' HA ' HG11 ' A' ' 25' ' ' VAL . 10.4 p90 -143.33 151.28 40.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.839 176.165 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 t -110.82 145.02 38.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.178 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.66 11.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.97 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.467 HG21 HD13 ' A' ' 132' ' ' LEU . 18.1 p -104.91 -23.44 12.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 173.179 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -96.79 107.13 19.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.2 -176.001 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -67.08 -27.78 67.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.06 -50.51 68.95 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.138 174.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 22.0 m -64.35 -36.18 83.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.384 -176.791 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.2 -49.36 72.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.719 0.295 . . . . 0.0 110.599 -179.319 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -69.28 -27.85 65.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.243 0.544 . . . . 0.0 110.684 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.23 -15.38 61.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.358 -178.031 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -55.28 -48.83 73.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.58 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.391 176.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -43.05 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.0 m-85 -58.13 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.289 176.517 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.994 -178.019 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -62.89 -36.16 82.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.589 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.3 mt -65.93 -47.34 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.583 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.7 mp -69.78 -12.95 62.03 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -76.23 -32.96 59.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.676 0.274 . . . . 0.0 110.309 177.342 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 29.2 m -107.94 -26.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.725 -178.738 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.902 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 9.4 mtmt -118.9 106.63 12.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 178.159 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.57 22.91 0.23 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.4 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.92 10.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.274 -169.943 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.902 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.27 -78.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.615 -175.159 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 38.6 t70 -155.99 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.548 179.026 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -134.27 154.41 51.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.676 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.3 mt -127.88 98.99 26.45 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.83 0.348 . . . . 0.0 110.734 -175.457 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.43 123.76 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.517 2.811 . . . . 0.0 112.5 178.525 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.632 HD23 HD21 ' A' ' 91' ' ' LEU . 6.6 mp -116.98 135.57 53.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.204 177.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.772 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -117.63 121.41 40.83 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.283 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 91' ' ' LEU . 16.5 t -81.87 120.38 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.222 -178.543 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.35 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.632 -176.374 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.77 101.29 2.03 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 179.386 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.17 129.97 35.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.011 0.434 . . . . 0.0 111.353 -176.357 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt 69.85 50.56 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.396 174.499 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -63.72 -12.13 31.97 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 167.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -53.85 -22.61 10.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.13 170.536 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 95' ' ' ILE . 36.3 mt -92.05 87.25 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 177.254 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 -37.8 13.03 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.287 0.565 . . . . 0.0 110.046 176.044 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.5 pt-20 -82.3 -18.04 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.119 -175.464 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 81.6 mtp180 -111.59 8.52 20.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 -174.834 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -58.66 114.23 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.768 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.51 -41.42 13.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.6 p -108.38 126.01 30.59 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.074 -177.16 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.83 119.39 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.557 2.172 . . . . 0.0 111.017 175.416 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.637 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -71.29 -16.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.078 -174.039 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.6 mp0 -56.25 -49.73 73.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.638 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.85 -11.37 59.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 110.915 -178.968 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -83.8 -45.86 12.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.425 176.567 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 23.5 mtm180 -58.96 -38.58 79.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.138 0.494 . . . . 0.0 110.441 174.509 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -57.98 -28.11 64.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.952 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -67.22 -48.55 67.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.74 88.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.451 176.886 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.33 -45.78 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.006 176.961 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.76 -41.69 91.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.308 179.493 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -85.83 -0.86 56.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.456 -174.327 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.71 38.01 61.26 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.776 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.8 -171.18 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.623 0.249 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.772 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -110.75 160.66 16.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.029 0.442 . . . . 0.0 111.211 179.429 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 37.6 t80 -125.7 123.24 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.68 175.776 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.93 125.41 73.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.566 -178.585 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.79 127.4 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.8 p -124.85 142.72 51.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.852 -176.651 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 m -135.82 108.21 7.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.221 176.671 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.14 60.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 178.477 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.564 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 7.9 p -127.75 3.54 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.146 -178.364 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 56.21 39.28 30.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.226 -177.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.44 131.3 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.335 -176.257 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 70.23 6.48 5.8 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.078 0.861 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.5 -33.35 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.19 0.519 . . . . 0.0 110.051 178.662 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.51 -47.66 82.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.831 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.26 -52.11 67.06 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.157 -170.525 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 23.8 m -53.26 -35.51 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.827 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -76.28 -54.06 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.706 0.289 . . . . 0.0 111.589 178.701 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.16 -38.24 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.751 -175.366 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.56 -48.85 75.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.222 -177.638 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.02 -34.53 78.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 56.4 mtm -64.05 -31.03 72.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.284 178.136 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -67.06 -46.55 73.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.563 175.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.5 mm-40 -52.36 -42.54 64.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.702 176.096 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.5 -40.38 58.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -71.29 -40.99 70.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 -177.699 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.9 m -59.78 -42.01 92.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.511 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.6 mptt -63.94 -49.93 70.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.824 177.602 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -60.26 -35.85 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.033 -178.085 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.201 -178.592 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.359 0.6 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.05 -27.75 69.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.944 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.0 -56.17 25.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.529 -178.869 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.08 -36.34 92.78 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.235 -179.325 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.63 ' O ' HG13 ' B' ' 402' ' ' ILE . 35.2 mm -56.23 -54.88 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.027 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.54 -42.59 88.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.695 -177.009 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.69 -45.58 89.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.081 0.467 . . . . 0.0 111.038 -179.183 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 16.2 mt-10 -79.7 -24.8 41.46 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.49 -176.902 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.731 HG12 ' HG ' ' B' ' 439' ' ' LEU . 63.2 mt -59.15 -52.85 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.894 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.08 -29.46 69.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 7.7 ttm-85 -62.86 -46.22 88.89 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.651 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.502 ' HB2' HD23 ' B' ' 436' ' ' LEU . 33.1 mm-40 -72.92 -41.56 64.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -178.388 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.73 -36.47 78.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.518 177.914 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -62.26 -50.2 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.206 174.147 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 412' ' ' LEU . 73.6 mt -57.01 -48.41 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 16.2 tp -65.08 -44.61 88.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.448 -178.815 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.21 -42.69 77.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.784 177.642 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 36.9 m -59.23 -53.77 54.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.588 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -58.33 -43.12 88.1 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.49 177.029 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.438 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 6.7 m-70 -59.04 -47.3 85.73 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.88 -43.83 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.186 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -47.42 82.07 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.485 0.659 . . . . 0.0 111.452 -175.546 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 425' ' ' LYS . 5.6 mp -64.58 -24.87 67.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.842 -171.067 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.28 -27.03 53.97 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.686 0.279 . . . . 0.0 111.19 179.12 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.65 -8.91 82.15 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.229 -176.485 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.69 -3.66 49.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.337 179.228 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.25 117.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.506 ' HB2' ' HE2' ' B' ' 425' ' ' LYS . 24.5 pttm -135.25 145.11 47.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.756 0.789 . . . . 0.0 112.083 -176.698 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.1 t70 -149.09 166.4 28.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.383 -1.281 . . . . 0.0 107.755 178.401 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.03 -30.96 70.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.498 0.666 . . . . 0.0 109.319 174.858 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.4 m -63.69 -44.89 92.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.269 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -66.76 -38.31 86.34 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -170.602 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.7 pt-20 -73.37 -40.81 64.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.244 -178.655 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 24.6 mm-40 -66.52 -48.14 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.203 175.735 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.559 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.0 mmt180 -60.62 -37.61 82.02 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.754 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.3 mt -55.63 -53.95 50.17 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.481 0.488 . . . . 0.0 110.503 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.621 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 63.5 m95 -66.59 -38.22 86.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.76 -178.421 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 51.4 mt-10 -58.64 -56.66 19.3 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.949 -178.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 7.4 p -66.35 -32.37 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.227 0.536 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 22.7 tp60 -55.57 -56.53 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 176.659 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.621 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.09 -26.72 63.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.39 -176.421 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.7 mt -64.55 -50.91 73.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.004 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.5 tm? -58.77 -46.06 88.37 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.288 -176.623 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.542 HG22 ' HA ' ' B' ' 434' ' ' ARG . 1.8 t -62.37 -45.41 93.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.273 -177.309 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.03 -38.39 88.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.201 0.524 . . . . 0.0 109.845 177.363 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.731 ' HG ' HG12 ' B' ' 402' ' ' ILE . 35.2 tp -66.98 -38.1 85.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.786 -178.581 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 9.5 mmmm -64.85 -37.71 88.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.002 0.429 . . . . 0.0 110.121 176.752 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.739 175.585 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.56 -31.2 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.152 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.655 ' HB2' HD11 ' B' ' 402' ' ' ILE . 61.8 tp -65.07 -48.36 74.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.261 175.452 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -5.51 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.346 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -100.93 -9.71 21.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.179 177.46 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -91.15 13.25 17.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.35 -178.181 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -130.01 124.59 33.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.566 178.091 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 46.0 m-70 -128.92 136.0 49.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.587 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 1.091 ' HE2' ' HB2' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -119.24 114.17 22.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.901 0.382 . . . . 0.0 110.583 179.697 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.36 127.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.897 -177.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.28 124.91 68.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.812 177.223 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 ttm -91.49 114.33 26.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.817 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -109.19 162.67 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.076 0.465 . . . . 0.0 111.591 -175.69 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.9 -155.45 26.73 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -83.28 -155.36 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.733 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -53.74 -59.76 9.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 177.373 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.59 -78.28 0.22 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.102 -1.046 . . . . 0.0 112.831 179.343 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t 72.86 -54.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.641 0.776 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.72 26.58 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.215 -179.113 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 28' ' ' SER . 18.8 ptpt -71.99 -54.33 10.27 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.298 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 25.6 m -64.98 -23.48 67.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.724 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.65 -39.04 70.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.809 178.428 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 128' ' ' ASN . 96.7 mt -63.12 -44.66 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -177.443 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -69.88 -34.49 73.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.016 -178.425 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.9 tm? -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.721 176.481 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.9 mm100 -57.62 -39.2 76.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.736 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -72.08 -7.87 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.633 -175.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.673 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 62.0 mtm -118.42 -4.58 10.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.886 -0.509 . . . . 0.0 112.009 -178.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 46.2 m-85 -138.43 -37.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.468 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 21.4 t0 70.99 16.06 6.54 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.442 1.115 . . . . 0.0 109.156 -170.684 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -122.26 151.18 41.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.423 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -80.25 126.6 31.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.422 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.691 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -61.75 124.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -175.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -102.49 -30.27 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.47 178.119 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.43 100.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -167.19 102.07 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.481 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.82 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 mm-40 -110.55 -46.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.835 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 6.1 Cg_endo -48.38 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.707 2.271 . . . . 0.0 113.186 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.1 p -151.2 11.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 179.076 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -73.3 -40.79 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.35 0.595 . . . . 0.0 109.756 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 -21.24 5.16 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.1 176.1 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -77.37 104.3 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.533 . . . . 0.0 111.022 -178.636 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -101.78 165.74 11.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.282 176.78 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.24 127.3 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 0.0 112.087 -174.03 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HE ' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttt180 -81.31 110.78 17.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.711 178.3 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.673 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 45.3 tptt -104.5 125.46 50.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.48 179.291 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -107.55 125.61 51.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.735 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -133.5 150.38 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.47 117.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 171.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.95 96.89 6.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.472 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 41.54 77.93 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.445 1.091 . . . . 0.0 111.552 -176.549 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.65 -111.16 0.52 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.789 -1.196 . . . . 0.0 114.472 178.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.34 160.67 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.298 -169.274 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.69 112.32 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.059 178.66 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.9 t -107.6 151.5 9.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.197 -174.805 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.403 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 24.7 mt-30 -113.64 141.43 47.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.215 0.531 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 9.2 tt -150.61 114.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.229 175.938 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 1.091 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 5.3 m-20 -88.85 134.99 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.41 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.496 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 43.7 mm -107.31 130.57 59.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.945 0.402 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 82' ' ' TYR . 34.5 tp -109.92 123.99 50.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 33.9 t70 -97.41 135.6 39.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.25 178.912 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.8 p -101.49 138.16 38.85 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.619 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.97 133.84 35.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 174.928 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -95.4 70.03 1.04 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.091 -178.27 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -147.51 167.01 25.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -176.689 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -91.85 -6.91 50.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.711 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.519 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -58.71 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.625 -178.388 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.529 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 7.6 m-85 -115.28 92.42 3.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.965 -175.197 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.615 0.721 . . . . 0.0 109.527 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.753 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.46 -6.84 46.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.533 177.615 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.6 mt -97.82 -37.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 0.0 110.119 175.889 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -91.84 -66.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.997 0.427 . . . . 0.0 111.264 -178.689 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.14 -49.96 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.951 -170.928 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.753 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 56.2 m-80 -69.33 -17.4 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.381 -172.664 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.1 m-85 -92.1 -11.74 34.89 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.643 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 114' ' ' VAL . 8.0 m-30 -77.97 5.73 9.22 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.505 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HG2' ' OE1' ' B' ' 426' ' ' GLU . 2.0 mpt_? -87.96 -76.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.276 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.0 m -79.33 44.11 0.58 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.234 0.54 . . . . 0.0 112.036 -176.938 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.15 18.59 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.469 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.628 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.5 mt-10 -119.83 -62.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.158 0.479 . . . . 0.0 111.034 -176.676 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.34 127.26 7.84 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.022 -176.35 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -128.54 131.96 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 111.105 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.3 mt -104.66 122.46 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.198 177.144 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 mt -93.37 107.69 19.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.785 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.647 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.7 m -108.44 129.62 62.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.398 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -138.66 166.1 25.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.771 176.002 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 p -103.11 138.97 39.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.368 -179.028 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.59 9.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 111.499 -177.951 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.632 HG21 HD13 ' A' ' 132' ' ' LEU . 12.1 p -115.7 -11.2 11.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.713 0.292 . . . . 0.0 111.57 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -113.27 112.24 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.441 . . . . 0.0 110.425 -179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -74.63 -20.71 59.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.24 -52.21 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.274 175.409 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.6 p -70.38 -28.79 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.35 -50.02 75.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.486 176.658 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -68.26 -34.33 76.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.294 0.569 . . . . 0.0 110.814 178.333 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.24 -20.25 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.4 -176.378 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.1 p -55.21 -36.49 66.02 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.056 0.455 . . . . 0.0 111.437 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.46 72.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.55 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.5 -34.84 79.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.21 -177.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 21.6 m-85 -56.95 -42.12 79.53 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 176.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -68.31 -48.31 65.25 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.041 174.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.15 -39.49 66.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.922 -175.055 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -34.51 76.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.92 0.39 . . . . 0.0 110.216 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.06 -41.52 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 177.775 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.66 -27.46 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 176.613 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -66.74 -37.65 85.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.623 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.7 m -92.08 -12.08 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.545 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 114' ' ' VAL . 60.1 mttm -122.56 -115.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.739 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.36 -45.85 0.42 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.13 0.972 . . . . 0.0 112.747 -178.158 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.39 15.99 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 0.0 111.326 -178.6 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -108.07 -149.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.95 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.493 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 21.6 t0 -91.12 -80.03 0.35 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.289 -172.296 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.7 mptt -139.32 144.13 38.15 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 122.055 -0.403 . . . . 0.0 110.947 -179.202 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.4 mt -112.94 92.33 20.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 176.749 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 27.4 Cg_exo -61.79 104.98 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 178.817 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mt -105.23 144.05 32.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 125' ' ' VAL . 6.0 tp -147.51 121.61 9.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.705 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.502 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.5 t -89.85 115.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.282 -176.965 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.647 ' HB ' HG12 ' A' ' 92' ' ' VAL . 56.1 t -112.36 114.42 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.173 -177.603 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.53 117.13 4.41 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 177.714 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 8.2 p30 -107.95 170.55 7.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.048 0.424 . . . . 0.0 110.451 -179.35 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 14.0 mmmm 67.51 16.66 9.97 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.919 0.762 . . . . 0.0 110.719 -177.378 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.9 m -67.54 -6.28 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 111.15 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -3.54 32.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.029 174.876 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.632 HD13 HG21 ' A' ' 96' ' ' THR . 64.0 mt -71.69 -48.33 48.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.692 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 64.74 -75.69 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.682 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.42 -31.05 65.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.218 -173.787 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 96' ' ' THR . 64.4 mtt180 -82.29 1.65 35.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.852 -177.05 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.8 ttm105 -52.8 113.35 1.06 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.107 0.48 . . . . 0.0 110.187 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -91.65 -29.44 16.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.832 -174.514 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.8 p -106.75 124.28 35.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.439 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 116.84 3.33 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.537 2.158 . . . . 0.0 110.554 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.696 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.51 -16.31 13.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.546 -169.635 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.523 ' OE1' ' HD3' ' A' ' 144' ' ' ARG . 5.5 tp10 -61.62 -47.48 85.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.384 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.29 -21.21 61.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 110.507 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.56 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.631 173.404 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 41.2 mtp180 -67.46 -34.28 76.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.634 175.414 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.0 t -60.76 -34.62 74.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.631 178.922 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.4 mmtt -65.01 -33.1 75.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.166 178.66 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.76 -41.73 96.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.888 0.375 . . . . 0.0 110.238 175.716 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.08 -36.06 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.965 178.831 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.23 -40.65 94.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.856 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -91.58 -11.55 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.193 -176.08 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.92 35.37 18.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 178.818 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.61 -175.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -105.66 155.42 19.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.198 175.688 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.3 t80 -123.14 128.56 50.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.769 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.14 129.59 50.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.191 -178.653 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.91 135.8 33.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.988 0.423 . . . . 0.0 110.056 176.34 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.711 ' HB ' HG22 ' A' ' 165' ' ' VAL . 43.6 p -124.85 129.56 50.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.207 -176.292 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.9 m -91.68 115.78 28.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.518 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -90.93 -24.65 20.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.149 -173.66 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -74.98 -21.91 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.0 p -123.4 -5.46 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 -176.966 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? 61.21 87.13 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 -178.652 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.41 130.97 21.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.877 178.443 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 73.06 -15.14 0.55 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.813 0.845 . . . . 0.0 112.289 176.593 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.711 HG22 ' HB ' ' A' ' 157' ' ' THR . 25.6 t -59.81 -39.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.562 . . . . 0.0 110.78 -178.06 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 -38.02 85.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.33 -175.786 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 171' ' ' ASP . 20.0 ttpp -65.49 -48.61 71.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.845 -169.735 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.84 -31.27 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.555 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 173' ' ' MET . 80.0 m-85 -67.92 -43.64 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -69.78 -46.27 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.092 -178.418 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 167' ' ' LYS . 46.0 m-20 -57.44 -46.39 83.63 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.314 0.383 . . . . 0.0 111.522 -178.117 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.7 tp -60.66 -30.86 70.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 19.9 mtt -62.39 -31.1 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -179.324 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 0.0 OUTLIER -71.71 -44.82 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.486 179.321 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 10.4 mm-40 -55.15 -50.96 67.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.292 -0.163 . . . . 0.0 111.432 173.856 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 172' ' ' LEU . 69.7 mt -56.14 -48.13 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 17.3 ptp180 -65.93 -29.12 69.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.654 -177.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.1 m -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.597 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 64.0 mmtt -68.38 -35.79 78.21 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.324 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 23.0 mmmt -66.98 -31.96 72.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -179.837 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 176.659 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 121.063 0.458 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.51 -28.93 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.499 -177.848 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.98 -56.05 18.94 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.222 0.326 . . . . 0.0 111.656 -177.682 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.2 97.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.194 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.553 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.1 mm -58.89 -50.56 79.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.805 179.376 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.26 -33.53 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.73 -176.471 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.4 mt-10 -62.52 -43.68 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 177.339 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.84 -32.36 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.105 179.088 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.617 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.3 mt -60.13 -47.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.852 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.66 -39.75 68.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 175.68 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 12.8 ttp180 -61.99 -47.49 84.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.049 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.413 ' OE1' HG23 ' B' ' 432' ' ' VAL . 70.6 mm-40 -73.76 -34.71 64.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.672 -177.73 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 436' ' ' LEU . 60.0 mt-10 -61.44 -44.13 97.66 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.793 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.39 -51.68 67.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.859 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.602 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.0 mt -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.096 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 65.2 tp -71.85 -32.77 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.375 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -66.99 -41.34 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.147 0.499 . . . . 0.0 109.862 175.516 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.8 t -60.03 -53.45 57.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -55.99 -44.74 78.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 174.614 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.4 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 7.3 m-70 -61.37 -46.82 88.61 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -177.104 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -76.54 -36.23 57.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.582 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.13 -40.64 86.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -173.233 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 90.0 mt -63.38 -33.9 76.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -170.038 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 75' ' ' TYR . 1.5 mp0 -64.92 -15.79 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.867 -179.362 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.12 -4.48 63.39 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.655 -178.722 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.73 35.68 5.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.214 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 74.6 mt -119.46 138.15 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.057 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -145.77 143.68 29.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.633 0.73 . . . . 0.0 111.854 178.594 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.9 t70 -149.4 159.48 44.25 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 169.806 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.33 -29.56 70.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.918 0.866 . . . . 0.0 109.108 175.234 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.2 m -65.37 -38.28 89.58 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.709 -178.562 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.0 OUTLIER -69.89 -29.35 66.53 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.165 -173.277 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.691 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 1.9 mt-10 -72.47 -47.9 45.13 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.312 0.577 . . . . 0.0 109.543 179.356 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.8 mm-40 -64.3 -40.44 95.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.586 176.728 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.614 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -60.27 -41.67 93.77 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.121 178.839 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 20.1 mt -55.22 -49.39 72.07 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.276 0.36 . . . . 0.0 110.38 178.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 90.3 m95 -65.62 -45.89 81.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.198 179.052 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 50.2 mt-10 -57.35 -54.9 41.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.621 0.248 . . . . 0.0 111.575 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -64.49 -35.9 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.629 -172.823 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -69.77 -29.69 67.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -177.796 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 434' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -70.07 -35.21 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 177.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' B' ' 432' ' ' VAL . 2.8 mt -70.86 -42.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.488 175.538 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.2 tm? -55.74 -45.15 78.05 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.536 178.426 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.3 t -75.87 -36.29 59.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.016 -174.177 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.52 -38.64 84.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.107 0.479 . . . . 0.0 110.231 177.496 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.617 ' HB3' HG12 ' B' ' 402' ' ' ILE . 26.4 mt -68.16 -40.95 82.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.354 178.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' B' ' 443' ' ' LEU . 38.5 mttp -66.77 -30.2 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.797 177.028 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.512 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 2.8 tmt_? -66.58 -45.41 79.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.011 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.4 mmmm -63.49 -26.19 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 177.375 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.551 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.8 tp -63.94 -42.5 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.493 174.388 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.41 -8.4 59.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 177.94 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.492 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 5.2 tp10 -83.84 -26.74 29.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.677 175.575 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.756 -179.218 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.95 11.41 27.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 0.0 110.397 178.735 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 92.6 mt -131.51 117.44 18.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.554 177.827 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -123.09 142.86 50.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.652 -176.776 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' CD ' ' A' ' 87' ' ' GLU . 1.2 mmtp -123.12 118.15 27.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.711 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 66' ' ' ILE . 7.3 p -121.86 128.83 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.228 0.537 . . . . 0.0 109.696 175.8 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -106.09 129.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.631 -177.106 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 17.9 mmt -81.89 107.22 14.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.564 174.343 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.6 m -94.74 140.46 16.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 110.365 -177.313 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 157.92 158.49 9.01 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 49.6 m -101.1 -71.2 0.72 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -178.002 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.44 148.42 48.54 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 173.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.63 58.5 4.47 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.51 -177.295 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.98 -50.83 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 122.961 0.504 . . . . 0.0 111.234 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.24 30.64 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.503 176.883 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 53.0 pttt -79.64 1.41 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.573 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -117.67 -24.41 7.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 175.779 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.87 -53.96 13.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.261 -175.207 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.45 -33.53 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.648 0.737 . . . . 0.0 110.348 -179.197 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.614 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.44 -47.1 80.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.378 -173.551 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 40' ' ' VAL . 7.3 tt -71.78 -28.09 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -175.365 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.589 HE22 ' HA ' ' A' ' 39' ' ' PHE . 10.7 mm100 -59.89 -45.76 91.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.19 0.519 . . . . 0.0 109.845 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -72.73 -32.1 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.638 177.368 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.43 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 44.9 ttm -66.22 -50.87 62.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.322 -178.89 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 41.5 m-85 -101.08 -82.82 0.46 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.671 179.177 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 27.4 t70 171.62 -46.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.815 0.697 . . . . 0.0 109.858 -179.865 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.85 -178.75 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.639 -178.219 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' HA ' HE22 ' A' ' 33' ' ' GLN . 59.9 t80 -75.11 136.5 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.408 -172.019 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 32' ' ' LEU . 2.7 p -55.51 124.35 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.469 -179.07 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -97.45 -48.07 5.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.539 174.583 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.5 t70 -153.8 117.7 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.463 -176.1 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -167.88 93.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.72 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 39.8 tt0 -83.47 -51.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.333 -176.864 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 22.3 Cg_exo -65.19 105.54 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.981 1.788 . . . . 0.0 113.138 -175.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 10.5 p -136.59 36.6 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 168.484 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -85.53 -55.71 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.935 -177.449 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.34 21.94 7.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.76 0.79 . . . . 0.0 108.931 172.435 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.1 m-20 -100.2 92.54 5.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.977 -167.001 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -90.96 153.17 20.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.251 170.495 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -143.59 112.87 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.107 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 63' ' ' GLN . 11.9 ttp180 -75.42 119.66 19.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.501 -173.596 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 35' ' ' MET . 46.2 tptt -101.26 127.11 48.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.942 -179.705 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 3.9 tmmt? -100.86 117.31 34.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.981 0.419 . . . . 0.0 110.343 178.643 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.13 154.15 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.402 -179.644 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' C ' ' A' ' 60' ' ' GLU . 9.6 p -112.15 133.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 173.901 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD12 ' NH1' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -132.93 103.4 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.769 -179.106 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 43.97 35.1 1.05 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.548 1.155 . . . . 0.0 112.277 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.0 -116.43 0.43 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.92 -178.027 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' C ' HG23 ' A' ' 56' ' ' VAL . 14.6 pt-20 -106.71 167.38 9.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.148 0.179 . . . . 0.0 110.59 -174.928 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 41.6 mt-10 -73.86 112.91 10.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 109.854 179.132 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' ' 13' ' ' ALA . 59.3 t -106.48 147.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.062 -174.78 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.654 ' HB3' ' HD2' ' A' ' 52' ' ' ARG . 50.1 mt-30 -111.81 117.88 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.376 0.608 . . . . 0.0 110.43 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.1 124.07 72.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.142 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.65 132.37 47.37 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.2 mm -108.13 127.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.215 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 tp -98.71 115.37 28.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.138 176.212 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 10.9 t70 -92.53 138.82 31.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 175.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.0 p -109.13 147.8 31.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.92 -172.71 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.45 161.94 29.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.024 173.181 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -134.82 70.9 0.5 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.11 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.5 pt? -152.06 162.02 41.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -82.31 29.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.185 0.517 . . . . 0.0 111.144 -175.834 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.491 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m-20 -115.53 -74.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.506 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -79.74 74.84 6.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.836 -173.034 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.05 -19.12 60.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.289 175.515 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -70.87 -6.59 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.716 -177.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' B' ' 413' ' ' HIS . 42.4 mt -95.05 -33.47 4.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -178.882 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.97 -64.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.112 0.482 . . . . 0.0 111.171 -176.16 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.13 -38.11 66.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.084 -170.233 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.559 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 2.8 m-20 -71.43 -17.64 62.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.576 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -97.58 -14.3 21.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.337 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 114' ' ' VAL . 7.9 m-30 -60.65 -32.59 71.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.338 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -57.03 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.021 -175.414 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 8.0 m -90.28 22.86 3.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.945 0.403 . . . . 0.0 111.146 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.77 137.22 14.38 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.33 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.459 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 92.4 mt-10 -88.32 -70.08 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.683 0.277 . . . . 0.0 110.626 -179.58 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.57 147.25 17.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.196 -178.771 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' HZ ' ' HD2' ' A' ' 115' ' ' LYS . 48.5 m-85 -127.78 123.88 36.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.302 . . . . 0.0 110.589 -178.16 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 20' ' ' VAL . 85.2 mt -103.45 121.9 43.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.552 178.8 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.8 mp -94.17 107.9 19.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.38 129.15 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.057 0.456 . . . . 0.0 111.811 -177.211 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -148.24 165.26 31.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.964 176.707 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -109.07 148.74 30.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.759 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.47 16.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.091 -178.59 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 132' ' ' LEU . 13.7 p -123.19 -2.86 8.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 176.93 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.25 111.59 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.578 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -78.04 -29.81 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.895 -173.219 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.53 -31.82 67.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.121 0.486 . . . . 0.0 110.429 -174.814 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 -28.24 69.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.701 175.436 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.3 -40.52 81.7 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.156 0.503 . . . . 0.0 109.652 175.624 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -63.94 -42.16 97.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.498 0.666 . . . . 0.0 109.761 174.331 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.74 80.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.398 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.63 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 10.9 p -58.54 -32.36 68.81 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.531 -178.86 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.2 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 110.461 177.805 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.64 -27.4 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.681 -178.235 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 14.3 m-85 -56.61 -42.3 78.52 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.633 179.667 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.531 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 ttt180 -55.36 -53.04 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.431 -178.834 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.25 -27.31 65.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -71.32 -36.34 71.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.09 0.472 . . . . 0.0 109.883 -179.081 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.579 ' HA ' HG22 ' A' ' 114' ' ' VAL . 64.1 mt -71.46 -33.96 51.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.201 177.057 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.7 mm? -58.91 -28.93 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.517 174.835 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -78.67 -44.89 22.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.255 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 83' ' ' PHE . 30.9 m -76.88 -34.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.555 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB2' HD11 ' A' ' 121' ' ' ILE . 51.0 mtpt -98.9 -71.65 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.659 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.63 -80.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 177.3 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.68 28.18 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.011 0.434 . . . . 0.0 111.694 -170.166 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 6.6 mm-40 -81.92 -161.44 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.114 178.147 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 120' ' ' LYS . 1.8 p-10 -61.67 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 174.197 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.691 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 44.2 mmtm -146.81 -178.41 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.255 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 115' ' ' LYS . 67.8 mt -139.81 93.23 9.61 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.519 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.74 126.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.592 2.861 . . . . 0.0 112.607 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.15 145.38 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.047 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 125' ' ' VAL . 4.2 tp -136.71 117.92 14.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.274 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 124' ' ' LEU . 9.1 t -87.34 118.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.884 -177.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.47 109.89 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.565 -175.381 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.73 113.57 3.8 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 177.18 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.469 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 6.5 p30 -109.69 176.2 5.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.884 0.342 . . . . 0.0 110.967 -176.906 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.469 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 33.6 mmtp 69.17 31.31 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.858 0.724 . . . . 0.0 110.376 -178.282 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 m -58.19 -12.4 3.53 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -177.82 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.72 -14.06 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.654 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.2 mt -85.35 41.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.808 179.761 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.14 -26.1 67.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -176.183 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -101.37 -10.07 20.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.997 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.3 mtt180 -107.48 -3.53 19.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.609 -178.22 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.561 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.1 ttm180 -53.31 117.72 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.639 179.603 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 6.0 tp60 -107.52 -22.45 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.513 178.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.17 118.94 52.57 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.742 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.51 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 48.7 Cg_exo -55.42 115.72 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.783 2.322 . . . . 0.0 111.485 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -70.21 -25.21 27.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.933 -176.384 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.74 -50.5 73.01 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.314 -178.642 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.7 pt-20 -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.375 -179.723 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.81 77.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.352 176.051 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.702 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 27.7 mtm180 -64.05 -40.14 95.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.501 175.386 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 22.7 t -67.59 -20.34 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.023 179.424 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 54.4 mmtt -71.1 -41.91 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.748 175.921 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -61.61 -36.09 79.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 109.403 172.772 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 145' ' ' SER . 32.6 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.107 177.045 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 145' ' ' SER . 42.3 mt-10 -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.25 -179.304 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.3 -13.01 50.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.59 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.96 26.45 37.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.429 179.365 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.603 HG23 ' HB1' ' A' ' 147' ' ' ALA . 17.0 m -121.48 -175.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 178.916 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.422 ' HG3' HD13 ' A' ' 124' ' ' LEU . 28.6 pt20 -105.83 162.67 13.35 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.619 178.394 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.702 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 66.0 t80 -130.16 122.35 28.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.602 176.538 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.09 123.0 59.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -84.42 129.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -131.97 156.66 45.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.366 0.603 . . . . 0.0 111.675 -172.786 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.3 p -138.44 102.93 4.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.764 173.934 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.587 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -60.82 -18.7 57.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.69 -177.512 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -67.6 -18.71 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.294 -178.462 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.9 t -141.06 10.37 2.15 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.113 0.483 . . . . 0.0 110.617 178.752 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 61.63 25.91 15.7 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.582 178.128 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -72.25 109.52 6.05 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.679 178.96 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.428 ' HB2' HG22 ' A' ' 157' ' ' THR . 85.4 m-20 70.31 4.16 4.77 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.025 0.828 . . . . 0.0 112.207 176.543 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 159' ' ' ALA . 97.1 t -71.2 -47.43 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 -176.062 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.93 -36.8 82.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.471 . . . . 0.0 110.52 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.39 -50.99 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.01 -176.47 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -57.89 -26.96 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -175.525 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -74.24 -56.44 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.128 175.141 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.7 m-85 -61.41 -41.84 97.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.617 -175.205 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -51.11 70.7 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.416 179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.1 tp -65.18 -34.61 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.389 0.614 . . . . 0.0 109.955 179.755 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.2 mtp -64.08 -29.66 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.519 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 6.9 mmm180 -70.8 -39.46 73.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.834 -0.167 . . . . 0.0 110.574 -179.684 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.22 -37.0 76.42 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.693 176.428 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.6 mt -57.21 -32.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.0 0.429 . . . . 0.0 110.73 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' A' ' 181' ' ' MET . 73.7 mtt180 -67.06 -52.25 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.183 176.717 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.8 m -63.79 -36.54 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.886 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.5 mptt -63.64 -49.14 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.795 179.454 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -74.69 -18.92 60.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -176.278 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 60.0 mtt . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.413 . . . . 0.0 110.07 175.202 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.468 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.3 m . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 121.158 0.504 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.44 -30.58 67.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.076 -179.753 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.62 -52.39 65.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.725 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.582 ' HA2' ' HG2' ' B' ' 400' ' ' GLU . . . -68.38 -31.06 73.63 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.22 -179.583 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.468 HG12 ' O ' ' B' ' 394' ' ' THR . 44.9 mm -63.46 -48.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 0.0 110.086 175.745 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' B' ' 402' ' ' ILE . 97.4 mttt -64.06 -43.69 94.71 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.672 -178.389 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.582 ' HG2' ' HA2' ' B' ' 397' ' ' GLY . 12.1 pt-20 -66.95 -32.56 73.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.817 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.662 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 9.0 tp10 -69.82 -42.22 73.96 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.831 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.642 ' HA ' HD23 ' B' ' 439' ' ' LEU . 89.7 mt -53.07 -51.42 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 174.316 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 31.5 mmt180 -57.02 -42.99 81.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 178.796 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.662 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 49.8 ttt180 -59.92 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 80.3 mm-40 -73.42 -27.22 61.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.934 -177.042 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 33.8 mt-10 -59.58 -43.19 93.72 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.934 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.032 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.58 -45.52 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.042 0.448 . . . . 0.0 111.06 -178.478 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.578 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.9 tm? -63.77 -43.95 94.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.606 176.842 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 410' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 48.9 t30 -56.41 -43.74 79.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.194 178.084 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.0 t -60.11 -55.85 28.86 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 -179.148 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' B' ' 429' ' ' LEU . 3.2 mm? -55.0 -37.07 66.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.007 0.432 . . . . 0.0 111.055 176.771 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.0 m170 -66.94 -40.39 87.57 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.671 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 414' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 36.0 mtp180 -78.64 -49.29 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.598 -178.401 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -62.98 -35.15 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.932 -175.09 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.559 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -84.65 -25.92 28.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.77 -179.209 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.621 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 44.7 tt0 -59.26 -25.44 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.672 0.389 . . . . 0.0 111.708 -175.086 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.17 -11.15 70.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.506 178.839 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 120.97 -20.41 8.59 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.189 178.899 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.8 mt -80.02 117.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.684 0.278 . . . . 0.0 110.67 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.492 ' C ' ' HD2' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -136.38 162.58 32.64 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.032 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.745 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 13.6 t70 -147.02 155.39 42.2 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.533 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.07 -23.86 67.29 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.364 -174.849 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.7 m -68.42 -36.06 78.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.437 0.637 . . . . 0.0 109.446 174.837 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.745 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 23.7 mttm -74.13 -39.39 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.974 -177.455 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.72 -44.88 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.185 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 8.6 mm-40 -66.52 -39.79 88.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.598 175.659 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.62 ' O ' HG23 ' B' ' 432' ' ' VAL . 0.4 OUTLIER -60.18 -40.41 89.89 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.272 177.796 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' B' ' 412' ' ' LEU . 12.2 mt -58.71 -50.57 73.4 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.205 -179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.448 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 72.9 m95 -64.35 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.183 0.302 . . . . 0.0 110.876 177.187 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.616 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 48.1 mt-10 -65.08 -55.62 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.645 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -62.36 -36.02 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.816 0.817 . . . . 0.0 109.038 179.623 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.6 tp60 -56.62 -57.02 14.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.084 -1.417 . . . . 0.0 111.818 178.711 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.616 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 3.7 ptm180 -60.52 -28.16 68.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.899 -177.149 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -71.4 -49.2 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.336 177.67 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.457 HD11 HG23 ' B' ' 402' ' ' ILE . 26.1 tp -63.12 -41.15 99.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.1 t -65.88 -39.74 90.94 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.15 0.5 . . . . 0.0 110.032 179.616 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.15 -37.57 81.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.134 176.391 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.9 mp -61.69 -40.44 94.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.744 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -60.21 -42.7 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.12 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -45.96 90.37 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.927 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -59.17 -32.65 70.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.395 -179.765 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 443' ' ' LEU . 0.5 OUTLIER -62.81 -45.98 90.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.182 0.515 . . . . 0.0 109.925 176.602 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -80.85 -4.61 55.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.286 -179.519 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -96.84 -9.99 27.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 -178.226 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.32 179.705 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 180' ' ' LYS . 74.9 mt . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 55.41 13.23 0.87 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -155.29 130.26 9.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.699 0.285 . . . . 0.0 110.327 -178.01 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -138.06 136.53 36.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.816 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -106.43 106.85 17.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.337 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.84 137.42 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.489 178.195 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.21 120.56 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.663 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 43.3 mtt -86.56 139.06 31.21 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 172.443 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 91' ' ' LEU . 23.1 m -110.09 170.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.327 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.26 150.74 5.51 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.927 178.94 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -80.05 94.93 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.362 0.601 . . . . 0.0 109.893 176.646 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.61 -83.52 0.71 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.7 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.01 -43.24 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.293 177.91 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 93' ' ' PHE . 58.2 t 70.14 -58.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 123.526 0.73 . . . . 0.0 111.208 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.23 22.93 0.06 OUTLIER Glycine 0 C--N 1.313 -0.698 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.052 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 1.016 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 86.7 tttt -66.43 -60.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.67 -0.765 . . . . 0.0 111.81 -174.227 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 32' ' ' LEU . 44.1 m -59.72 -22.5 62.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.809 -177.38 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.27 -49.0 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.234 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.7 mt -73.52 -32.93 64.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -175.415 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.1 p -66.12 -47.38 74.33 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.055 -178.898 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.14 -33.64 73.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.428 179.185 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' A' ' 165' ' ' VAL . 18.3 mm-40 -59.43 -45.01 92.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.545 176.15 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -72.24 -28.63 63.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.317 0.58 . . . . 0.0 110.677 179.381 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtp -78.01 -59.62 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.067 -176.255 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.37 3.12 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -173.18 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 30.9 t70 74.07 -19.32 0.36 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.278 0.631 . . . . 0.0 112.074 177.216 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.087 0.47 . . . . 0.0 111.388 -178.023 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -75.8 147.75 38.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.182 -179.202 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.36 108.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -178.303 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.08 -54.21 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.172 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -155.24 90.44 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.276 178.758 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -153.25 102.56 2.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.4 mm-40 -105.07 -49.53 0.12 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -174.814 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.65 101.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.545 2.163 . . . . 0.0 113.808 -176.685 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.537 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -155.27 52.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.611 177.028 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -73.23 -59.55 2.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.123 -174.482 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.61 -48.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.436 0.636 . . . . 0.0 110.528 176.635 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.29 136.4 36.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.165 -175.916 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.4 m -126.81 -172.66 2.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.016 178.397 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -114.86 144.73 43.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.421 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.621 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 39.4 ttm180 -93.18 146.45 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 110.303 -178.475 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG3' HG13 ' A' ' 55' ' ' VAL . 56.0 tptt -118.92 133.59 55.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.684 -178.844 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -97.84 127.36 43.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 171.636 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.1 m -136.43 144.54 32.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 175.866 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 56' ' ' VAL . 10.2 p -111.6 105.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.776 0.798 . . . . 0.0 109.504 174.836 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 99.3 11.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 178.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 77.09 -39.62 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.57 -1.196 . . . . 0.0 113.145 175.59 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.61 -68.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.39 -170.859 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.8 pt-20 -92.62 138.65 31.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.184 0.492 . . . . 0.0 111.153 -171.586 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -68.76 110.85 4.52 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 170.11 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 60' ' ' GLU . 6.9 t -106.87 151.94 8.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.824 -174.323 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.621 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 47.6 mt-30 -110.54 116.98 32.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.325 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -106.61 111.89 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 CA-C-O 121.886 0.85 . . . . 0.0 109.144 178.152 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' HB3' ' CE ' ' A' ' 16' ' ' LYS . 16.3 t70 -90.22 125.87 35.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.064 -175.735 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' SER . 38.2 mm -106.63 145.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.35 -171.052 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD22 ' CZ2' ' B' ' 430' ' ' TRP . 52.2 tp -127.35 104.05 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 177.312 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 1.016 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 15.5 t70 -97.45 144.53 27.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.468 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -133.82 140.48 46.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -165.434 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.05 94.14 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 169.575 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.58 77.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.721 -177.714 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -142.74 172.13 13.11 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.477 0.179 . . . . 0.0 110.579 179.865 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.45 -19.63 61.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.854 -171.846 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.524 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.2 m-20 -68.36 -69.4 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.563 0.697 . . . . 0.0 111.101 -178.394 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HB3' HG13 ' A' ' 78' ' ' ILE . 55.3 m-85 -84.17 65.29 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.319 -174.567 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.72 -28.93 70.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.143 178.289 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.88 -6.3 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.525 -179.078 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.612 HG12 ' CE1' ' B' ' 413' ' ' HIS . 30.8 mt -98.95 -27.42 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.601 179.171 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -92.41 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.67 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.664 -170.398 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.26 -17.64 63.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.824 -172.347 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.431 ' OH ' HD11 ' B' ' 409' ' ' LEU . 0.0 OUTLIER -87.04 -12.42 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.293 -175.642 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -74.43 2.65 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 178.169 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 3.5 tmt_? -62.19 -63.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.101 -176.005 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.0 t -95.12 44.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.324 0.583 . . . . 0.0 110.515 -175.168 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.72 133.41 11.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.969 179.1 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.0 mt-10 -89.51 -70.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 110.045 -179.8 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.26 139.65 14.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.215 -178.214 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -123.2 137.68 54.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.6 . . . . 0.0 111.454 -176.699 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 87.9 mt -111.26 116.55 31.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.183 178.167 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 125' ' ' VAL . 38.0 mt -87.68 107.39 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.519 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.7 t -108.45 127.57 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.93 -175.383 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HA ' HG11 ' A' ' 25' ' ' VAL . 5.7 p90 -146.71 158.83 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.863 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p -100.21 141.91 32.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.676 0.274 . . . . 0.0 110.496 177.462 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.79 24.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 112.225 -175.512 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.461 HG21 HD13 ' A' ' 132' ' ' LEU . 36.5 p -121.61 -31.53 3.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.983 0.421 . . . . 0.0 110.541 174.489 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -94.12 99.36 11.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.392 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -74.54 -19.7 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.017 -175.724 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.99 -43.39 95.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.502 176.06 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -64.06 -33.99 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.338 177.31 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.57 -17.18 63.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.364 0.602 . . . . 0.0 110.835 176.645 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -89.7 -28.54 19.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.521 0.677 . . . . 0.0 109.709 175.845 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.21 -20.48 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.579 -179.047 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 2.5 p -62.08 -31.67 72.13 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 111.518 179.733 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.77 88.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.042 0.449 . . . . 0.0 109.937 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.36 -45.65 92.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.753 178.245 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.643 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 16.9 m-85 -57.51 -49.11 77.37 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.188 -179.424 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -56.31 -51.17 69.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.653 -179.166 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.79 -37.17 83.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.576 -179.364 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -65.94 -35.74 81.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.224 0.535 . . . . 0.0 110.081 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.3 mt -61.05 -40.11 84.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.964 178.597 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -77.94 -38.68 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.77 178.623 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -57.65 -41.39 81.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 111.556 -177.619 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.2 m -82.22 -8.83 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.82 -178.414 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 37.8 mtmm -138.38 -112.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.193 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.5 11.36 3.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.326 0.65 . . . . 0.0 111.412 -176.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -129.22 2.97 5.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.956 -176.297 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.35 -78.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.418 -177.295 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.409 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 27.1 t70 -156.98 -80.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.426 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 74.2 mmtt -144.44 136.27 25.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 110.437 -176.907 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.38 111.15 36.78 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.785 -177.296 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 83.6 Cg_endo -89.51 138.72 3.23 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 123.035 2.49 . . . . 0.0 112.445 176.134 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.01 133.33 49.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 111.249 -178.501 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.7 tp -128.2 123.3 33.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.511 175.348 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 HD12 ' A' ' 91' ' ' LEU . 12.3 t -92.73 129.08 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.822 -178.715 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.25 124.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.538 -176.26 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.82 112.62 4.05 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.422 178.034 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -101.02 157.8 16.49 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.435 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 70.37 19.06 6.56 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.064 0.546 . . . . 0.0 111.559 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -59.89 -18.85 47.9 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.518 0.675 . . . . 0.0 109.95 177.73 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.55 -22.2 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.861 175.891 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 96' ' ' THR . 92.0 mt -72.0 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.564 178.482 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 65.11 -67.37 0.13 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.61 0.764 . . . . 0.0 112.684 177.384 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.06 -34.46 78.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.036 0.446 . . . . 0.0 111.273 -177.772 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -92.3 17.09 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -177.679 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.7 113.7 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -177.6 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.55 -16.46 17.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.6 -178.218 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.73 111.34 64.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.857 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.729 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.2 Cg_exo -56.36 101.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.572 1.515 . . . . 0.0 109.636 172.364 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.8 -11.84 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.227 0.537 . . . . 0.0 110.725 -168.329 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.7 mp0 -56.48 -42.64 78.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.583 175.001 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 11.2 pt-20 -72.12 -27.59 62.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.818 0.342 . . . . 0.0 110.368 -179.703 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.79 -42.74 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.2 0.524 . . . . 0.0 110.192 176.849 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 144' ' ' ARG . 11.2 mtp180 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.29 177.257 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.2 t -64.49 -45.53 86.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 175.689 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 62.5 mmtt -61.56 -33.02 73.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.432 -177.57 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -56.57 -47.73 78.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.411 . . . . 0.0 110.494 175.605 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.48 -32.85 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.419 -179.051 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -84.73 -19.64 32.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 110.614 -179.459 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.88 30.25 18.34 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.625 -179.099 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.02 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.088 0.47 . . . . 0.0 110.674 -178.827 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.824 ' HG2' HD13 ' A' ' 124' ' ' LEU . 9.3 pm0 -118.71 149.68 41.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.661 177.129 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.2 t80 -129.11 118.94 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 178.033 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.2 130.9 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.514 -178.273 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -90.09 138.37 31.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 36.1 p -128.75 143.51 50.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.168 0.508 . . . . 0.0 111.613 -175.719 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.61 108.76 12.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.422 172.856 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.23 -7.59 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 -176.855 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.95 -44.9 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 0.0 110.232 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.7 p -95.03 -6.22 42.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.588 -178.342 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 60.66 70.45 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.194 -175.704 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -134.52 133.44 40.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.577 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.46 15.29 10.06 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.497 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 33' ' ' GLN . 59.6 t -73.09 -56.28 10.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.778 0.323 . . . . 0.0 110.69 -178.303 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.83 -35.65 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.201 0.524 . . . . 0.0 110.763 178.725 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -53.76 -51.18 64.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.087 -176.67 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.5 m -66.57 -28.24 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -174.722 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -75.37 -56.3 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.811 176.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -61.87 -35.15 77.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.55 -175.171 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.29 -51.71 68.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 110.572 -179.862 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.0 tp -65.24 -40.03 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 178.581 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 64' ' ' ILE . 64.8 mtp -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.498 -179.859 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.71 -46.72 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.314 -0.155 . . . . 0.0 111.03 178.294 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.64 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.702 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 172' ' ' LEU . 68.8 mt -57.79 -30.61 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 181' ' ' MET . 56.6 mtm180 -59.97 -51.66 68.72 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.468 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.7 m -59.0 -39.3 81.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.032 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.792 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -64.96 -51.83 59.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.3 178.663 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 12' ' ' LEU . 29.1 mtpp -70.53 -26.2 63.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.504 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.1 mtt . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.551 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -61.73 -31.84 72.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.138 -178.858 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -54.48 -55.16 31.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.075 -179.777 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 394' ' ' THR . 50.0 mm -60.28 -50.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.421 178.27 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.96 -34.22 77.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.208 -177.469 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.1 mt-10 -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 0.0 110.231 176.495 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 47.1 mt-10 -74.11 -33.51 63.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.293 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 398' ' ' ILE . 81.9 mt -57.86 -53.81 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.563 176.765 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 403' ' ' ARG . 43.7 mtp180 -61.94 -33.29 74.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.8 179.447 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 67.7 ttt180 -58.05 -50.48 73.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.9 177.426 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.616 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -76.51 -27.54 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 35.8 mt-10 -59.95 -47.67 84.83 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 173.339 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.29 -48.84 80.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.934 176.64 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.8 mt -60.26 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -177.529 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.456 HD13 HG13 ' B' ' 432' ' ' VAL . 35.0 tp -66.49 -37.36 84.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.468 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -63.41 -45.92 88.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.465 -179.72 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -60.77 -50.08 74.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.854 -178.79 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 92.9 mt -62.39 -31.65 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.147 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.612 ' CE1' HG12 ' A' ' 78' ' ' ILE . 7.0 m-70 -70.48 -48.32 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.989 177.499 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.79 -33.67 75.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.238 -179.482 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.2 -54.68 42.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.726 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 20.5 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.383 -179.116 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -21.93 65.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.991 179.379 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.29 -9.38 73.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.539 179.239 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 108.0 -1.39 33.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.542 179.555 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.726 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 26.0 mt -92.74 146.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.745 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.488 ' C ' ' HD2' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -155.9 150.73 26.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.507 0.67 . . . . 0.0 111.397 175.148 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.439 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 17.3 t70 -149.21 149.08 30.41 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 171.461 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.516 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 2.7 pt? -61.22 -26.59 67.85 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.314 -177.099 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.0 m -65.29 -34.73 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 178.821 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 6.9 mttt -73.16 -42.4 62.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 -176.66 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 26.4 mt-10 -60.05 -48.44 81.72 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.009 -176.503 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -69.41 -41.56 76.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.253 -178.27 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.545 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.4 tpt180 -67.34 -32.08 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.316 179.431 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.1 mt -56.42 -47.35 79.24 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.038 177.928 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.531 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 49.5 m95 -70.03 -35.61 74.43 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.546 178.411 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 51.2 mt-10 -63.25 -54.61 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -60.6 -35.15 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.548 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.29 -48.1 77.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.494 175.805 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 16.1 mtp180 -63.39 -35.31 80.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.254 179.157 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 432' ' ' VAL . 28.9 mt -74.63 -45.5 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -178.079 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -56.92 -42.51 80.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.979 178.198 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 -35.5 63.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.79 0.328 . . . . 0.0 111.14 -177.668 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.36 80.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.284 0.564 . . . . 0.0 109.88 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -34.61 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.536 177.211 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.51 -35.88 80.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.94 0.4 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.14 -45.68 84.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.545 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.2 mmmt -58.5 -35.92 72.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.345 178.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.414 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -63.31 -48.31 78.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.708 0.29 . . . . 0.0 110.971 178.932 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -82.49 -1.96 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.27 0.557 . . . . 0.0 110.47 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.62 -24.88 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.925 178.893 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.563 179.954 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 180' ' ' LYS . 25.1 mt . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.898 0.38 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -0.73 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.014 -171.114 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.68 123.2 48.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.38 178.922 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' ND1' ' HG3' ' A' ' 173' ' ' MET . 47.1 m-70 -134.1 123.4 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 -177.145 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 15.6 mmtp -105.76 115.53 30.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.48 . . . . 0.0 111.399 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.84 116.02 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.096 179.346 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.763 -178.919 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 90' ' ' LEU . 90.5 mtp -95.41 108.52 20.73 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.619 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 35.1 m -104.8 160.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.813 -173.851 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.2 161.03 22.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.411 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -86.9 109.33 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.211 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 -102.48 1.11 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.6 -176.679 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.97 86.05 0.19 Allowed Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.233 178.387 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.69 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.9 t -88.16 41.6 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.734 0.778 . . . . 0.0 109.957 177.299 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.19 77.66 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.051 -179.565 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -83.29 17.04 2.21 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.876 0.338 . . . . 0.0 111.835 -174.903 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -117.78 -15.64 10.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.237 171.899 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.52 -54.56 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -176.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 165' ' ' VAL . 80.9 mt -61.54 -32.79 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -65.29 -36.9 85.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.193 -178.05 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.2 tm? -74.32 -40.28 62.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.433 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.677 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.8 mm-40 -55.07 -50.71 68.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.161 176.47 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' HE2' HD13 ' A' ' 64' ' ' ILE . 49.9 t80 -73.21 -0.86 15.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.579 -179.604 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 50.4 ttm -105.39 -53.06 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.942 -0.474 . . . . 0.0 111.721 -177.531 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' GLU . 57.2 m-85 -116.62 8.2 13.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.337 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.9 m-20 73.24 -28.25 0.19 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.533 0.733 . . . . 0.0 112.492 176.174 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 36' ' ' TYR . 15.7 mm-40 -97.32 -178.69 4.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 -175.158 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' HA ' HE22 ' A' ' 33' ' ' GLN . 80.2 t80 -74.32 148.8 41.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.044 -174.973 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 32' ' ' LEU . 3.4 p -74.41 106.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.892 -176.855 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -90.03 -43.95 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.483 175.293 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -156.43 158.63 37.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.423 177.661 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 11.1 t80 -155.61 91.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.7 mt-10 -61.28 -56.46 33.88 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.59 -174.554 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 41.6 Cg_endo -68.14 103.22 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.629 1.553 . . . . 0.0 110.988 178.122 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -157.41 -22.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -171.807 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.95 -59.24 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.649 -178.032 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.89 -17.4 5.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.5 173.921 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 1.5 m-20 -81.62 143.99 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.334 -178.515 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 67.5 m -137.24 155.45 49.48 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.095 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.512 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 34.9 t80 -127.6 117.5 22.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 110.528 -174.268 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.67 161.71 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.391 -179.304 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 166.61 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.621 179.842 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -93.25 115.95 28.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 -178.634 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' HB ' ' A' ' 62' ' ' VAL . 30.7 m -118.3 147.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.11 178.397 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLU . 74.8 t -133.44 113.76 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.023 0.439 . . . . 0.0 111.428 179.496 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.3 mt -88.61 99.46 12.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 163.871 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -5.39 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.396 1.685 . . . . 0.0 113.734 -167.569 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.66 -79.52 0.2 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.478 -0.868 . . . . 0.0 113.204 -179.839 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.68 138.92 33.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.659 0.266 . . . . 0.0 111.237 -172.403 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' HG22 ' A' ' 56' ' ' VAL . 43.0 mt-10 -77.98 105.99 9.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.216 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.403 ' HB ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -106.01 142.09 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -169.839 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -112.43 115.86 29.38 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.519 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 34' ' ' PHE . 12.4 tt -104.0 110.85 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-O 121.852 0.834 . . . . 0.0 109.329 179.658 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.614 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 21.1 t0 -95.59 109.54 21.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.947 -174.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.539 HG21 HG23 ' A' ' 31' ' ' THR . 48.6 mm -109.12 121.97 63.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.31 -175.638 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.0 tp -97.87 121.86 40.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.375 -178.32 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -105.7 150.52 25.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 170.167 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 p -141.65 160.59 39.86 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -166.16 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.49 120.01 22.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.188 170.103 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.48 70.47 2.8 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.328 -176.907 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -155.63 168.8 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.688 0.28 . . . . 0.0 110.737 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.14 -18.73 31.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.754 -174.928 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.492 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -55.48 -67.03 0.32 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.725 0.774 . . . . 0.0 110.596 178.459 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' ILE . 84.3 m-85 -83.8 61.44 6.36 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.831 -178.644 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.63 -23.95 60.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.605 175.277 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.6 -6.16 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.62 178.491 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 75' ' ' TYR . 44.3 mt -101.14 -21.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.006 0.432 . . . . 0.0 110.025 176.372 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.93 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.794 179.483 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 8.0 t70 -62.4 -51.38 67.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.297 0.57 . . . . 0.0 111.345 -175.322 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.568 ' HB3' HD12 ' B' ' 429' ' ' LEU . 87.0 m-20 -68.58 -19.84 64.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.559 -170.923 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.33 -38.23 11.6 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.196 177.219 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.9 m-85 -54.8 -31.59 59.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.882 0.372 . . . . 0.0 111.572 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 29.5 mmt180 -52.57 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.975 -175.892 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.494 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.8 m -86.29 29.33 0.76 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.908 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.4 151.29 19.96 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.483 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.1 mt-10 -103.13 -74.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.411 177.802 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.69 148.02 18.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.226 -177.86 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -125.25 127.31 46.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.083 0.468 . . . . 0.0 111.411 -178.064 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 124' ' ' LEU . 73.8 mt -98.12 110.15 22.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.054 175.682 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 104' ' ' THR . 11.1 mp -92.19 106.99 18.89 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -108.02 134.95 48.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.982 0.42 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HA ' HG11 ' A' ' 25' ' ' VAL . 29.9 p90 -142.54 147.65 36.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.92 178.062 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.5 t -83.96 138.13 33.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.701 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -68.89 -3.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.702 0.287 . . . . 0.0 111.749 -179.721 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.527 ' CG2' HD22 ' A' ' 132' ' ' LEU . 12.1 p -87.56 -17.6 31.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.28 171.076 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.744 -173.882 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.22 -25.82 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.343 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.96 -46.1 69.01 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.04 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.5 m -65.3 -31.15 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.275 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -62.59 -43.78 97.96 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 173.747 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -68.84 -27.75 66.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.7 62.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.899 -178.648 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.421 ' CB ' HD23 ' A' ' 91' ' ' LEU . 49.5 p -58.82 -33.97 70.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.781 177.366 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.94 84.12 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 177.305 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.77 -47.98 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.441 178.753 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.538 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.7 m-85 -58.27 -46.26 86.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.35 177.26 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.65 -51.03 68.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -178.516 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.14 -37.48 87.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.349 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.8 0.333 . . . . 0.0 110.212 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 107' ' ' PHE . 99.2 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.647 178.39 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 10.6 mp -66.71 -37.41 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 178.576 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -61.35 -37.98 85.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.746 0.308 . . . . 0.0 111.313 -178.04 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.734 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.0 m -95.48 -3.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.712 -175.807 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.734 ' HG3' HG23 ' A' ' 114' ' ' VAL . 26.4 mtpp -133.99 -90.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.33 -0.231 . . . . 0.0 110.691 -177.748 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 65.76 -61.05 0.27 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.508 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.51 36.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.813 0.445 . . . . 0.0 111.262 -173.544 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.611 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 4.5 mm-40 -99.69 -172.12 2.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.609 -173.73 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.59 -71.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.9 175.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -144.95 133.41 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.8 mt -111.73 101.5 51.36 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.36 179.898 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 0.9 OUTLIER -84.51 123.55 2.97 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.276 2.651 . . . . 0.0 112.533 179.141 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.76 159.14 19.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.617 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 153' ' ' GLN . 8.0 tp -150.62 121.33 7.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.613 174.37 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.442 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.3 t -97.47 117.82 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.537 -179.665 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.607 ' HB ' HG12 ' A' ' 92' ' ' VAL . 22.8 t -109.78 132.33 58.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.874 -173.511 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.7 94.54 2.0 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.145 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -82.45 164.84 20.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.79 0.329 . . . . 0.0 111.347 -175.598 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 70.41 28.12 3.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.594 170.555 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -72.02 84.18 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.596 0.712 . . . . 0.0 109.505 178.064 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 160' ' ' LYS . 13.5 t70 -154.87 -39.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.756 -176.951 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -60.68 -29.64 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.839 176.472 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 49.21 -68.83 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.448 1.499 . . . . 0.0 114.761 -177.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 132' ' ' LEU . 11.3 pt-20 -75.98 -22.63 55.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 118.086 0.403 . . . . 0.0 111.129 -170.829 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 99.7 mtt180 -83.78 12.18 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.248 -178.344 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.647 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 41.8 ttm105 -64.41 112.48 3.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.267 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -101.96 -11.55 18.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 -175.31 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.3 p -114.73 113.5 44.79 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.961 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.61 129.45 33.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.377 2.051 . . . . 0.0 111.397 177.297 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.8 t -60.26 -19.44 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.005 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.55 -56.3 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.051 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.3 -28.29 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -178.143 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.2 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 176.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 79.1 mtp180 -69.38 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.115 179.163 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -56.08 -56.77 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 174.818 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -59.4 -39.02 82.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.732 -178.904 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.08 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 175.537 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.95 -37.35 84.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.771 179.338 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.02 -37.65 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 179.35 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -88.5 -7.06 57.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 -178.059 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.52 52.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.184 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.52 177.56 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.702 0.287 . . . . 0.0 111.147 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.644 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.5 pt20 -98.81 161.4 13.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.826 178.198 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.442 ' CE2' HG13 ' A' ' 140' ' ' VAL . 91.6 t80 -131.92 121.59 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 175.149 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.26 134.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.272 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.17 135.0 33.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 174.898 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 40.2 p -118.82 145.3 45.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.22 0.533 . . . . 0.0 110.873 -177.882 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.2 p -126.83 113.39 16.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.159 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.76 1.17 31.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.518 0.675 . . . . 0.0 109.728 176.386 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 131' ' ' ASP . 21.5 tptm -80.11 -68.74 0.65 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.206 178.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.0 p -93.7 0.23 56.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.301 -179.281 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 60.48 75.21 0.42 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.333 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.77 129.56 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.445 177.455 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 69.43 4.31 4.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.877 0.735 . . . . 0.0 111.794 177.869 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.442 HG13 HD22 ' A' ' 30' ' ' LEU . 95.8 t -65.18 -49.7 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -177.223 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.03 -23.42 58.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -177.295 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.85 -54.52 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.601 -176.927 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.33 -28.2 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.281 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -74.71 -48.03 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 177.164 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.61 -45.13 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.408 -178.576 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.8 70.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.749 -177.823 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.04 -36.16 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 -177.106 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.436 ' HG3' ' ND1' ' A' ' 15' ' ' HIS . 10.7 ttp -70.08 -31.3 68.82 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -178.836 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.728 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 6.6 mmt180 -63.95 -41.6 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.908 176.574 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -59.75 -32.35 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.132 177.249 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.3 mt -58.06 -36.49 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -178.602 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.728 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 20.6 ptt180 -68.11 -32.34 72.58 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 -179.036 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.0 m -70.55 -36.09 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.904 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -66.33 -39.17 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.194 175.192 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 66.2 mmtt -62.69 -54.64 36.3 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 110.768 177.334 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.958 -174.352 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.598 ' O ' HG12 ' B' ' 398' ' ' ILE . 51.3 m . . . . . 0 C--O 1.231 0.092 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 34.4 tt0 -55.01 -41.21 71.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.124 0.487 . . . . 0.0 110.221 178.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.14 87.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.314 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.44 94.78 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.019 178.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 394' ' ' THR . 37.9 mm -58.27 -55.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.128 175.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' B' ' 402' ' ' ILE . 52.4 mtpt -60.92 -42.09 97.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.91 -174.44 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.8 mm-40 -64.22 -39.21 93.49 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.295 -178.709 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' B' ' 439' ' ' LEU . 3.1 mm-40 -71.5 -36.9 71.26 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.523 175.703 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.708 HG12 ' HB3' ' B' ' 439' ' ' LEU . 97.1 mt -53.94 -54.21 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 172.739 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' B' ' 400' ' ' GLU . 44.5 mtm180 -62.77 -30.05 71.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -178.882 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.508 ' HD2' ' OE1' ' B' ' 401' ' ' GLU . 22.6 ttm180 -71.41 -44.73 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 178.393 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 83.6 mm-40 -71.41 -34.11 70.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.27 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG2' HD21 ' B' ' 436' ' ' LEU . 98.2 mt-10 -62.7 -40.17 96.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.211 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.16 -44.4 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.701 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.9 mt -60.63 -45.46 93.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.296 177.63 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 15.0 tp -65.2 -45.63 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 0.0 109.708 179.194 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -56.34 -52.43 64.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.217 178.007 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -40.05 96.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.906 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' B' ' 429' ' ' LEU . 0.5 OUTLIER -52.62 -50.72 62.53 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.196 0.522 . . . . 0.0 110.397 170.766 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 75.1 m-70 -67.83 -32.99 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.185 -177.415 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -75.71 -44.7 40.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -179.309 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.34 -46.44 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.483 0.658 . . . . 0.0 110.945 -177.139 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' B' ' 425' ' ' LYS . 69.7 mt -73.66 -25.77 60.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.914 -176.097 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 22.6 tt0 -54.11 -25.21 20.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.121 0.569 . . . . 0.0 112.233 -173.857 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.39 -5.17 85.44 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.252 -178.946 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.74 27.85 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.73 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 60.1 mt -99.58 131.48 46.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.557 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -134.0 145.34 49.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.774 0.797 . . . . 0.0 112.41 -177.244 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.6 t70 -149.8 170.57 18.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.161 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.79 -29.9 66.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.482 0.658 . . . . 0.0 109.236 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 7.4 m -66.02 -39.48 90.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.53 -177.84 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.97 -38.98 89.95 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.066 -172.544 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.9 pt-20 -73.31 -40.48 64.47 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.782 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -63.24 -42.18 99.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 176.682 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.56 -42.37 82.72 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.324 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' B' ' 412' ' ' LEU . 7.5 mt -56.03 -51.82 66.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -178.24 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 77.9 m95 -65.48 -31.46 72.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 178.264 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.923 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 42.3 tt0 -65.85 -49.34 68.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 178.439 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 37.7 t -57.39 -41.55 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.485 0.659 . . . . 0.0 109.414 177.093 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.628 HE21 ' HB ' ' B' ' 437' ' ' THR . 19.6 tp60 -56.77 -43.0 80.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.697 178.076 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.923 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 55.3 mtp180 -55.5 -51.73 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.408 0.623 . . . . 0.0 110.375 179.294 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 432' ' ' VAL . 5.7 mt -64.65 -50.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.544 -177.323 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 23.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.559 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.628 ' HB ' HE21 ' B' ' 433' ' ' GLN . 5.6 t -66.39 -37.59 85.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -175.563 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.43 -35.97 76.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.36 0.6 . . . . 0.0 109.913 176.467 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.708 ' HB3' HG12 ' B' ' 402' ' ' ILE . 4.6 mp -65.94 -37.67 86.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.519 177.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 68.2 mmtt -59.05 -43.56 91.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.653 0.74 . . . . 0.0 109.336 175.349 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.43 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 1.2 tmt_? -62.85 -47.88 81.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.179 177.751 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.8 mmmt -65.57 -25.0 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.299 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.632 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.3 tp -62.3 -44.34 96.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.025 0.44 . . . . 0.0 110.178 172.723 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -81.99 -5.65 58.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 110.454 178.761 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' B' ' 442' ' ' LYS . 1.8 tp10 -80.73 -35.66 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.971 177.383 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.439 ' HB3' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.654 -177.351 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.707 0.289 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . 63.15 17.04 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.461 0.705 . . . . 0.0 112.801 175.05 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' HE3' ' A' ' 16' ' ' LYS . 30.2 tp -122.61 127.66 49.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.108 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 93.0 m-70 -137.46 138.72 40.05 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.954 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -130.36 127.03 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.467 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -136.47 140.48 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -120.2 137.69 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.2 mmm -88.65 124.72 34.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.808 179.211 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD23 ' A' ' 91' ' ' LEU . 28.8 m -105.26 143.83 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 111.104 -179.081 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.17 161.38 11.11 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.114 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.435 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 12.4 t -81.44 70.47 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.501 0.651 . . . . 0.0 110.323 -175.967 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 -67.4 3.51 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.708 177.009 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.568 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -79.3 -105.1 0.23 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 121.392 -0.433 . . . . 0.0 112.836 -178.064 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 21.8 t 56.99 16.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 -176.722 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.68 32.65 25.26 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.531 -178.538 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 27.7 mtmm -68.13 -43.29 78.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -175.96 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.734 -174.608 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.94 83.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.987 -178.532 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.19 -41.97 63.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 -177.967 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.6 p -71.12 -31.34 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.039 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.2 -42.47 88.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.373 178.014 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 94.1 mt-30 -71.02 -26.52 63.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 0.0 110.968 178.179 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -72.76 -30.63 64.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 177.475 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.452 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.1 mtm -98.81 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.454 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -83.72 -26.22 29.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.001 -177.165 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.9 t0 68.3 21.21 8.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.511 -179.164 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.233 176.123 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -76.37 140.07 41.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.229 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.77 111.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.713 0.768 . . . . 0.0 112.298 -172.901 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -106.11 -39.64 5.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.528 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -149.38 96.22 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.057 176.144 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -167.89 91.29 0.33 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.772 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 6.6 mm-40 -103.96 -39.37 0.19 Allowed Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.559 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.772 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 3.9 Cg_endo -46.97 101.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.665 2.243 . . . . 0.0 113.194 179.112 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.05 39.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.104 176.549 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.31 -54.29 4.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.723 0.773 . . . . 0.0 108.979 -177.415 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.46 7.78 8.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.591 172.219 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.5 m-20 -79.39 121.37 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.157 -171.333 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.63 ' HB3' ' OE1' ' B' ' 433' ' ' GLN . 12.2 t -133.64 150.33 51.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.382 178.445 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -137.52 137.88 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.692 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -88.58 118.18 28.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.644 -178.122 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 60.8 tptt -103.14 128.19 50.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.607 -179.578 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -107.12 130.44 54.69 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.323 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -132.29 145.95 33.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.785 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.5 p -100.97 104.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.788 0.804 . . . . 0.0 109.482 178.148 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 tp -96.74 108.43 21.08 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.017 -175.113 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 73.63 -29.56 0.2 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.183 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.22 -42.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.805 -1.188 . . . . 0.0 113.784 -178.338 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.02 149.02 24.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.457 0.629 . . . . 0.0 111.081 -178.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.0 mt-10 -81.78 122.09 27.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.555 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -107.09 149.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.923 -177.187 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.83 117.77 32.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 110.922 -178.211 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.549 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.5 tt -114.68 139.46 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 -178.394 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.954 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 51.9 t0 -108.47 116.88 32.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.484 -176.02 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.9 mm -109.07 126.93 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.28 -171.758 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' B' ' 430' ' ' TRP . 3.0 mt -131.04 126.29 35.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.249 0.547 . . . . 0.0 111.312 173.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 t0 -100.58 145.46 28.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.549 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 p -124.41 151.6 44.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.302 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.53 111.2 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.379 171.453 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -83.43 63.66 4.43 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.731 -176.056 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -129.75 168.03 17.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.682 0.277 . . . . 0.0 110.977 -179.653 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.2 -12.41 54.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.4 m-20 -64.9 -78.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.345 -177.632 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.534 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.0 m-85 -85.09 81.33 8.91 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.051 -175.91 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.7 -18.58 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 175.626 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.836 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -70.25 -7.03 39.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.813 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.7 mt -99.51 -40.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.763 177.844 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 36.0 ptt180 -85.19 -64.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.825 -176.463 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 4.1 t70 -60.62 -43.74 97.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.818 0.818 . . . . 0.0 111.102 -177.027 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.836 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 44.7 m-80 -75.68 -27.2 58.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.41 -168.723 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.39 -34.86 15.49 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.912 175.954 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.662 ' HB3' HG21 ' A' ' 114' ' ' VAL . 5.7 m-30 -60.08 -22.84 63.25 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.48 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.731 HH21 ' HA ' ' A' ' 115' ' ' LYS . 3.7 mmp_? -56.78 -73.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.479 178.394 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.8 m -81.54 14.31 2.61 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.895 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' O ' ' HE2' ' A' ' 115' ' ' LYS . . . -99.66 104.07 2.79 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.637 178.53 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.47 -60.8 2.17 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.855 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.14 144.18 16.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.597 -0.811 . . . . 0.0 113.137 -174.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.99 136.92 49.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 111.067 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 20' ' ' VAL . 86.6 mt -106.25 112.75 25.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.161 175.874 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.571 HD23 HG21 ' A' ' 20' ' ' VAL . 58.3 mt -83.96 106.77 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.249 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.4 t -111.4 142.98 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.704 -174.865 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -155.65 144.51 20.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.526 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.533 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 29.6 t -83.57 138.9 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.778 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.684 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -70.35 -7.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.827 0.346 . . . . 0.0 111.622 -178.462 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 132' ' ' LEU . 16.8 p -84.83 -19.05 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.249 0.547 . . . . 0.0 109.914 173.737 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 45.4 mt-10 -103.33 100.36 10.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.326 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.12 -25.1 65.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.986 176.701 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.16 -49.2 46.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.103 -179.758 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -58.09 -36.92 73.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.723 0.297 . . . . 0.0 110.577 176.595 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.53 -40.23 93.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 176.658 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.2 m -76.0 -33.29 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.321 0.581 . . . . 0.0 110.495 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.83 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.211 -178.119 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.8 p -56.81 -37.84 71.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.0 110.494 178.661 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.1 98.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.335 177.33 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.44 -45.73 91.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.939 178.957 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.1 m-85 -58.69 -49.75 76.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.58 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 108' ' ' ARG . 34.8 ttt180 -53.78 -54.28 40.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.964 -178.347 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.53 -28.62 67.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.085 -176.98 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.1 -35.47 74.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.452 . . . . 0.0 110.027 178.564 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.2 mt -62.44 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.416 175.598 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.54 -26.11 68.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 177.734 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.58 -49.09 28.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 177.409 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 83' ' ' PHE . 27.0 m -74.88 -23.94 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.806 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.768 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 38.4 mttm -106.55 -85.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.65 -73.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.682 0.793 . . . . 0.0 113.07 -178.851 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.39 59.1 5.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.503 . . . . 0.0 111.334 -174.59 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.768 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 14.5 mm-40 -114.9 -170.37 1.73 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -77.57 -71.93 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 172.466 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 31.8 mmmt -143.28 153.44 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.5 mt -122.35 105.94 36.04 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.378 -0.374 . . . . 0.0 109.992 177.594 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HB2' HD11 ' A' ' 172' ' ' LEU . 55.8 Cg_endo -90.72 132.93 1.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.268 2.646 . . . . 0.0 112.667 179.526 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.539 HD23 HD11 ' A' ' 91' ' ' LEU . 5.6 mp -129.0 142.41 50.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 111.09 -178.598 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.93 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.4 tp -136.17 125.07 24.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.24 174.453 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 124' ' ' LEU . 15.3 t -92.58 125.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.959 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.7 t -118.14 116.4 51.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.947 -176.178 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.48 102.23 2.89 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 173.15 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 157' ' ' THR . 32.9 p-10 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.464 0.649 . . . . 0.0 112.353 -168.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 131' ' ' ASP . 54.6 mttt 70.28 57.36 0.27 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.299 177.122 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -78.74 15.79 0.99 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.271 0.558 . . . . 0.0 110.096 176.4 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 129' ' ' LYS . 18.7 t70 -75.5 -25.08 56.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.563 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -73.06 -57.8 3.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.414 177.476 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 65.26 -67.02 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.765 0.826 . . . . 0.0 112.279 -179.465 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.885 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.0 pt-20 -57.74 -29.38 64.72 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.083 0.468 . . . . 0.0 111.957 -176.617 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.885 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 74.8 mtt180 -100.28 17.77 20.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.655 -171.823 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.68 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 35.4 ttm180 -63.93 111.97 2.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.274 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -86.13 -33.58 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.057 -172.898 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.87 122.42 42.54 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.468 179.424 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.17 113.27 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.409 2.073 . . . . 0.0 111.314 176.776 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -72.27 -12.02 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.085 0.469 . . . . 0.0 110.795 -171.889 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.46 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.544 177.63 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.37 -20.59 54.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.69 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.41 80.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 109.939 175.394 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 69.2 mtp180 -68.03 -32.56 73.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.804 176.152 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.8 t -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.453 177.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.85 -40.27 94.75 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 175.599 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.63 -37.93 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 176.517 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.4 -42.26 96.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.051 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.25 -40.43 90.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.968 179.596 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -85.76 -5.67 59.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 0.0 111.407 -175.461 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.95 35.94 80.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.185 -179.21 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 -174.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.751 0.31 . . . . 0.0 110.244 -178.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.93 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.3 pm0 -113.39 154.26 27.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 176.758 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -123.95 125.69 45.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.979 178.542 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.3 t -132.32 129.33 59.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -178.94 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.79 125.94 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.917 0.389 . . . . 0.0 110.562 175.392 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.602 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 93.1 m -125.47 137.47 53.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.578 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.06 110.95 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 -178.314 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.71 -14.43 59.95 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.417 -178.521 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -78.49 -4.55 49.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.741 -176.555 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 7.1 0.79 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.868 -177.719 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 62.94 33.8 14.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.267 175.993 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.91 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.527 -176.981 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 67.24 18.17 10.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.745 175.187 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 -47.34 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.083 0.468 . . . . 0.0 110.647 -177.688 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -76.29 -27.4 56.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.976 -178.218 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.27 -50.08 70.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.795 -177.428 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.0 -32.72 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.32 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -73.35 -55.95 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.375 -179.517 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 52.9 m-85 -61.91 -31.75 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 -176.643 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -51.92 62.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -178.894 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.6 tp -67.93 -31.25 70.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.316 0.579 . . . . 0.0 110.253 -179.783 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.549 ' SD ' HD12 ' A' ' 64' ' ' ILE . 67.4 mtp -62.17 -32.04 72.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.487 179.186 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 24.6 mmt180 -61.33 -49.82 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.814 179.701 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.776 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 8.6 mm-40 -57.24 -35.88 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.426 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 65.0 mt -55.33 -27.42 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.902 0.382 . . . . 0.0 111.579 -175.074 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -70.23 -51.89 27.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 0.0 110.274 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.5 m -65.45 -30.74 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.504 -174.306 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.776 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 59.1 mmtt -64.55 -39.8 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -74.14 -33.01 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.36 -179.69 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.562 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.495 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 17.0 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 121.561 0.696 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -61.84 -26.77 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.38 21.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.55 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.36 -32.42 83.56 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.881 179.017 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 394' ' ' THR . 45.0 mm -64.11 -46.22 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.52 -38.89 92.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.5 0.191 . . . . 0.0 111.233 -179.367 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.37 -45.5 93.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 109.755 175.315 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.92 -44.5 80.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.287 -178.896 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.601 ' HA ' HD23 ' B' ' 439' ' ' LEU . 65.1 mt -54.13 -53.68 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.988 177.016 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -59.93 -33.56 72.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 0.0 111.019 -179.312 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -63.21 -47.41 82.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.77 176.311 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.504 ' OE1' HG23 ' B' ' 432' ' ' VAL . 86.7 mm-40 -76.75 -31.58 57.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.662 -177.145 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.4 mt-10 -65.57 -36.29 83.34 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.044 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -67.98 -39.21 83.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.482 176.648 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 64.6 mt -60.49 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 175.031 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.0 tp -61.79 -43.64 98.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.554 0.692 . . . . 0.0 109.313 178.224 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.62 -44.17 80.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.789 176.336 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 13.3 t -62.36 -53.17 58.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.917 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -53.26 -41.97 66.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 110.776 176.043 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.648 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.0 m-70 -65.88 -32.25 73.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.668 178.981 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -79.46 -51.88 8.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.724 0.297 . . . . 0.0 111.662 177.496 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.9 -55.0 29.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.999 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' B' ' 425' ' ' LYS . 3.1 mp -65.52 -25.55 67.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.427 -175.677 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.648 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 46.4 tt0 -61.96 -18.29 59.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.195 -177.947 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.88 -6.78 73.89 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.653 179.566 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.73 14.51 40.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.17 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.16 124.72 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.751 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.4 pttp -126.79 144.3 51.0 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.346 1.07 . . . . 0.0 113.019 -178.232 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 13.0 t70 -150.46 170.35 19.29 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.045 178.517 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 3.7 mm? -73.74 -35.04 64.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 171.96 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 70.4 m -65.37 -32.06 73.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.545 -178.73 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.0 OUTLIER -71.6 -35.98 70.68 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.271 -172.733 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.62 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 13.1 pt-20 -72.31 -42.8 65.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.145 178.21 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.21 -49.48 77.45 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 179.016 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.413 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.9 tpt180 -62.23 -39.81 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.772 -177.014 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -60.88 -55.81 28.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.104 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 74.6 m95 -63.11 -37.03 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.63 179.303 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.89 -55.57 32.56 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -176.859 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' B' ' 408' ' ' LEU . 7.6 p -63.15 -33.41 60.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.63 ' OE1' ' HB3' ' A' ' 50' ' ' SER . 5.6 tp-100 -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.944 178.106 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.648 ' HA ' HG22 ' B' ' 437' ' ' THR . 1.9 mpt_? -65.21 -34.92 79.5 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.355 -176.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 432' ' ' VAL . 54.6 mt -61.13 -43.28 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 175.157 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' B' ' 406' ' ' GLU . 46.9 tp -65.23 -46.11 81.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.004 178.428 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.648 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.3 t -65.85 -35.91 81.98 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.946 0.403 . . . . 0.0 110.404 -176.97 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.55 -36.13 78.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.956 0.408 . . . . 0.0 109.958 173.905 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.1 mp -65.89 -34.73 78.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.619 178.736 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -65.81 -36.39 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.317 0.58 . . . . 0.0 109.762 175.853 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.32 -41.08 85.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.049 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.5 mmmt -58.05 -36.72 73.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.998 175.087 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' B' ' 402' ' ' ILE . 56.0 tp -60.91 -40.32 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.853 177.583 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -79.16 -12.29 59.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 179.191 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.58 -20.9 17.38 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -178.675 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.876 -173.084 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.601 0.238 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.89 3.74 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.325 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -139.94 106.97 5.43 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.048 179.029 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.64 151.69 29.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.139 -173.087 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 2.2 mmtp -118.38 122.69 43.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.765 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' ILE . 69.4 t -116.19 118.86 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.398 . . . . 0.0 110.861 179.718 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.58 126.65 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.322 179.16 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.805 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 62.6 mtt -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 176.032 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 91' ' ' LEU . 33.6 m -110.98 177.14 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.211 175.3 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.81 160.36 9.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.118 -0.563 . . . . 0.0 111.981 178.815 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -83.54 45.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.938 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.91 -56.03 0.75 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.11 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.72 111.88 0.33 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.0 t -88.95 -68.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.937 0.399 . . . . 0.0 110.312 176.916 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.87 34.88 1.98 Allowed Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.208 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.805 ' HE3' ' HB2' ' A' ' 19' ' ' MET . 26.2 mttp -58.71 -74.81 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 111.102 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 16.9 p -69.11 -11.92 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.184 -175.701 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.95 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.458 . . . . 0.0 110.357 175.072 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.76 -38.98 67.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 69.8 p -67.0 -40.35 87.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.505 -176.886 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.12 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.082 178.367 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -65.03 -40.95 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 110.292 174.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 53' ' ' LYS . 64.6 t80 -72.72 -22.9 60.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.531 -177.836 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 67.5 mtm -104.93 -53.75 2.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.628 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -102.37 -11.72 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.486 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 67.01 32.09 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.787 0.803 . . . . 0.0 110.236 -178.098 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -135.0 142.24 46.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.101 -178.965 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -78.52 144.12 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.484 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.35 116.39 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.804 0.812 . . . . 0.0 112.569 -176.002 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -117.78 -44.12 2.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.675 171.748 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -127.1 107.62 10.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.749 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -169.71 91.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.739 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.543 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.7 mm-40 -74.57 -51.16 4.25 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.561 -177.776 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 9.3 Cg_endo -52.77 106.68 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 111.712 177.294 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -158.21 1.5 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.097 -176.187 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.52 -54.55 4.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -125.48 -40.85 2.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.125 176.91 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' OD2' ' HE3' ' B' ' 440' ' ' LYS . 16.1 t70 -59.07 122.11 12.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -174.876 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -134.15 -175.47 3.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.101 -176.614 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 8.4 t80 -143.21 146.85 34.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -176.124 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -92.62 140.72 29.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.552 178.072 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HG2' ' CE2' ' A' ' 34' ' ' PHE . 48.9 tptt -116.69 136.78 52.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -177.248 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 19.5 mttp -97.78 131.06 44.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.124 0.488 . . . . 0.0 110.554 170.864 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.23 145.47 30.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.88 176.676 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 61' ' ' GLU . 2.1 p -138.62 108.64 4.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 121.321 0.582 . . . . 0.0 110.643 177.131 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -93.28 96.94 10.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.912 179.193 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 39.69 67.75 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.368 1.043 . . . . 0.0 111.871 -178.637 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.22 -122.71 0.94 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.968 -179.859 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -113.25 162.93 15.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.162 0.481 . . . . 0.0 110.112 -177.603 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 46.7 mt-10 -59.74 119.35 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.316 0.579 . . . . 0.0 111.955 -176.303 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 t -107.63 148.61 11.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.067 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -117.15 140.05 50.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.38 0.609 . . . . 0.0 112.057 -176.7 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 17' ' ' VAL . 4.8 tt -134.73 125.87 46.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.188 -179.41 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -94.02 128.43 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.473 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -108.15 129.75 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.364 -177.727 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.65 124.68 51.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.029 0.443 . . . . 0.0 111.814 -177.991 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.3 t0 -94.71 158.54 15.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 171.815 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.0 p -142.67 141.86 31.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.771 0.32 . . . . 0.0 111.819 -171.615 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' A' ' 78' ' ' ILE . . . -78.58 96.47 5.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 165.741 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.21 71.07 1.79 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.056 -175.422 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -149.94 173.39 13.86 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.54 -20.05 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.581 -173.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.2 m-20 -60.11 -67.24 0.41 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.204 0.526 . . . . 0.0 110.942 179.355 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -80.41 63.88 5.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.313 -178.469 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.84 63.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -58.1 -23.77 56.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.997 176.556 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.667 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 33.9 mt -93.24 -21.84 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.623 -179.053 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -83.51 -63.48 1.35 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.725 179.049 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.52 ' HA ' HG11 ' A' ' 114' ' ' VAL . 20.9 m-20 -68.06 -57.96 5.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.201 0.524 . . . . 0.0 111.808 -172.434 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.594 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 10.1 m120 -71.17 -40.08 71.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.243 -168.544 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.667 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 11.5 m-85 -72.25 -25.91 61.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.554 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' A' ' 114' ' ' VAL . 5.8 m-30 -75.15 -5.73 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 111.436 -177.665 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -70.06 -63.44 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 14.02 4.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -171.663 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.41 135.44 12.19 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.645 177.579 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 2.1 mt-10 -80.39 -69.42 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.853 0.327 . . . . 0.0 111.259 -177.803 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.62 152.22 19.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.064 -174.115 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.2 m-85 -128.2 135.96 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 -178.152 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 93.6 mt -106.69 115.42 30.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.018 177.219 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HG22 ' A' ' 20' ' ' VAL . 40.5 mt -83.71 106.41 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.031 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 126' ' ' VAL . 40.3 t -109.91 127.68 66.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.409 -173.162 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' HA ' HG21 ' A' ' 25' ' ' VAL . 43.9 p90 -138.96 175.37 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.026 176.159 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.88 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 43.3 t -122.84 151.33 41.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.301 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.83 1.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -177.573 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.594 ' CG2' HD13 ' A' ' 132' ' ' LEU . 31.8 p -108.98 -29.99 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.278 0.561 . . . . 0.0 109.907 169.84 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.88 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.0 mm-40 -82.35 77.07 9.18 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.801 179.78 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -65.91 -26.05 67.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 -177.145 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.51 -44.55 90.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.495 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.9 m -66.56 -32.41 73.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 176.966 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.9 -43.68 98.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 177.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -77.25 -30.2 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 110.921 179.038 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.47 62.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.191 -178.748 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.583 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -53.95 -33.17 56.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.927 0.394 . . . . 0.0 111.263 178.45 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.34 88.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.778 177.799 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.18 -40.02 93.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 178.448 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 22.7 m-85 -57.39 -45.03 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.66 -177.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.01 -54.04 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 110.257 179.092 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.27 -28.65 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.14 -33.95 72.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.001 179.359 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.2 mt -71.8 -40.99 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.15 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.622 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.2 mp -71.71 -11.13 60.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.145 0.498 . . . . 0.0 111.056 176.973 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -79.4 -26.26 41.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.273 177.152 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 80' ' ' ASP . 17.6 m -110.85 -23.23 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.63 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 43.4 mtmt -137.88 135.94 36.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.133 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.54 -76.18 0.48 Allowed 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.456 178.75 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.26 35.09 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -173.916 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -58.39 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -171.5 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.377 176.214 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.581 ' HG3' ' HD2' ' A' ' 179' ' ' LYS . 35.7 mmtm -144.43 150.33 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 175.271 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 111' ' ' ILE . 62.9 mt -120.61 92.29 47.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.043 178.339 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.68 125.1 10.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.079 2.519 . . . . 0.0 112.013 -178.462 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.8 mt -119.21 122.44 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.15 0.5 . . . . 0.0 111.161 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.864 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -121.29 122.82 40.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.013 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.0 t -86.67 127.18 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.161 -177.465 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.571 ' HB ' HG22 ' A' ' 92' ' ' VAL . 58.8 t -117.65 116.14 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.73 -176.72 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.05 124.53 8.16 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 175.749 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -120.36 176.23 5.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.179 0.49 . . . . 0.0 110.016 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 66.93 27.65 8.84 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 123.586 0.554 . . . . 0.0 110.837 -176.235 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -10.01 4.14 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.723 178.468 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.1 -20.43 65.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.909 176.023 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 96' ' ' THR . 40.1 mt -78.52 49.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.568 174.103 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.36 -25.91 68.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.041 -176.719 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.37 -26.18 13.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 -177.003 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -91.73 11.37 24.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.17 179.222 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.2 ttp180 -61.9 112.15 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.428 . . . . 0.0 110.332 -177.593 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -94.75 -29.23 14.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 7.2 p -111.41 121.4 40.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.328 175.734 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.91 121.3 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.662 2.241 . . . . 0.0 111.854 178.069 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.49 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.5 OUTLIER -71.16 -13.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.457 0.646 . . . . 0.0 109.702 -178.363 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.6 -49.88 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.869 176.556 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.97 -22.74 49.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.72 94.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.928 174.052 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.46 -33.35 75.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.435 174.168 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.1 t -62.79 -42.31 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.29 179.441 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -54.47 -40.03 68.04 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.828 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.15 -47.72 80.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.048 0.451 . . . . 0.0 110.725 177.245 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.78 -33.78 74.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.338 179.23 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.5 -42.0 98.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.604 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -87.44 -17.21 32.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.283 -176.85 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.67 32.45 18.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.887 -179.027 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.18 -168.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.711 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.864 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -116.74 153.68 31.96 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.588 173.889 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 41.4 t80 -133.53 125.21 28.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.396 177.477 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.76 134.39 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 -178.303 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -84.87 121.79 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.312 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.4 p -109.97 129.05 55.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 111.21 -177.147 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.4 m -112.17 99.21 7.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.892 178.558 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.63 -16.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -179.215 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -69.21 -42.51 75.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.585 -179.482 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.6 p -112.23 7.41 19.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.231 -178.145 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 54.7 73.29 0.41 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.121 -177.387 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.28 127.47 37.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 178.9 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 65.89 16.34 10.43 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.04 0.837 . . . . 0.0 111.768 178.334 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.93 -55.2 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.68 -25.23 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -179.184 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.91 -47.33 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.52 -32.52 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.322 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -69.63 -45.48 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 34.4 m-85 -68.81 -37.14 79.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.299 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.57 -51.1 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -178.596 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.62 -39.48 88.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.433 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 56.1 mtm -62.09 -31.1 71.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.419 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 8.4 mmm180 -71.29 -43.05 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.604 178.96 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 1.3 mt-10 -55.49 -43.53 75.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.57 176.402 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.9 mt -56.3 -47.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 123.548 0.53 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 173' ' ' MET . 69.1 mtt180 -56.15 -51.31 68.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.695 177.499 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.8 m -57.83 -38.48 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.68 -178.134 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 45.9 mmtm -64.64 -46.53 82.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.613 -179.461 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 43.4 mtpt -69.89 -31.62 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 -177.778 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.292 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' B' ' 398' ' ' ILE . 67.3 mt-30 -58.35 -32.03 68.16 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.122 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' B' ' 399' ' ' LYS . . . -65.27 -41.16 94.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.002 -176.531 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.0 -36.65 93.75 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 173.528 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.563 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.6 mm -60.71 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.195 -0.502 . . . . 0.0 109.909 174.553 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' B' ' 396' ' ' ALA . 11.6 mmmm -57.82 -44.56 86.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.552 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.33 -49.32 77.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.37 -179.351 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.702 -178.481 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.587 HG12 ' HB3' ' B' ' 439' ' ' LEU . 83.7 mt -58.64 -52.88 54.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.622 0.249 . . . . 0.0 110.612 -178.641 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 403' ' ' ARG . 38.4 mtm-85 -62.9 -29.1 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -177.27 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.648 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 33.9 ttt180 -61.56 -51.01 70.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.931 0.395 . . . . 0.0 109.983 176.017 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.507 ' OE1' HG23 ' B' ' 432' ' ' VAL . 80.7 mm-40 -71.79 -29.58 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.518 -178.446 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.0 mt-10 -60.45 -41.82 94.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -71.95 -39.99 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.568 176.467 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.8 mt -62.22 -51.72 66.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.723 0.297 . . . . 0.0 110.951 -178.968 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.606 HD11 ' OH ' ' A' ' 82' ' ' TYR . 58.4 tp -62.03 -32.51 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.956 0.407 . . . . 0.0 110.186 176.801 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.51 -42.4 87.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.313 178.096 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 98.8 p -60.52 -48.72 80.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.602 -177.923 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.5 mm? -57.65 -45.86 84.95 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.785 173.746 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.481 ' HE1' ' HB2' ' A' ' 48' ' ' ALA . 1.9 m170 -57.99 -47.28 83.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.303 -175.847 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -77.53 -35.07 53.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.637 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.39 -53.78 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.943 0.401 . . . . 0.0 111.577 -175.018 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' B' ' 425' ' ' LYS . 68.2 mt -63.53 -34.09 77.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 -176.373 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 32.6 tt0 -61.92 -21.37 64.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.099 -177.572 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.82 87.17 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.828 -178.826 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.82 12.35 5.0 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.789 178.615 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 64.6 mt -106.95 136.41 42.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.444 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 81' ' ' ASN . 21.2 pttp -163.34 140.79 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.443 0.639 . . . . 0.0 111.42 175.909 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 14.5 t70 -149.45 161.45 42.08 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.803 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.57 -31.79 70.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.163 0.506 . . . . 0.0 110.879 -177.388 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.39 -31.98 73.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.228 178.591 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 57.4 mmtt -72.78 -42.5 63.89 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.279 -176.779 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -57.34 -47.07 82.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.497 -178.866 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -68.72 -37.42 79.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.874 -179.305 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.541 ' O ' HG12 ' B' ' 432' ' ' VAL . 18.0 mmt180 -64.43 -45.56 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.745 178.233 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 429' ' ' LEU . 10.5 mt -55.96 -50.36 71.01 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 123.299 0.374 . . . . 0.0 111.642 -178.389 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.454 ' HE3' ' HD2' ' B' ' 434' ' ' ARG . 7.4 m95 -66.39 -44.25 83.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.508 179.898 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.424 ' O ' HG13 ' B' ' 435' ' ' ILE . 18.1 tp10 -60.45 -55.72 30.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.829 -0.168 . . . . 0.0 111.185 -175.034 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.597 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.5 p -62.34 -34.61 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.16 0.505 . . . . 0.0 110.467 -178.709 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.2 tp60 -56.61 -50.3 72.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.738 176.513 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.519 ' HA ' HG22 ' B' ' 437' ' ' THR . 18.1 mtp180 -69.04 -33.25 73.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 -177.893 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.9 mt -67.24 -45.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.23 176.632 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.29 -47.35 81.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 177.417 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.519 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.9 t -72.09 -34.27 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.76 0.314 . . . . 0.0 111.063 -176.388 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.89 -36.43 83.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.477 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.587 ' HB3' HG12 ' B' ' 402' ' ' ILE . 40.1 mt -69.78 -36.59 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.554 178.902 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.505 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 70.4 mmtt -59.35 -40.24 85.78 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.659 0.742 . . . . 0.0 109.037 173.57 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -66.37 -44.73 82.34 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.064 179.139 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -58.48 -33.07 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.344 177.811 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 398' ' ' ILE . 46.7 tp -61.43 -55.07 35.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 178.586 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -82.05 -0.32 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 0.0 111.107 -179.767 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.57 -28.94 30.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.707 178.605 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.161 -177.365 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 HD22 ' HG3' ' A' ' 180' ' ' LYS . 28.2 mt . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.81 10.91 12.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.547 -173.591 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 tp -110.98 125.55 53.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.852 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -135.1 144.45 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.351 -178.245 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.81 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.25 118.74 26.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.836 0.35 . . . . 0.0 110.224 173.399 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.5 129.12 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.489 0.661 . . . . 0.0 110.671 -179.036 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.94 120.96 60.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.838 178.178 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 87.1 mtp -96.63 114.84 26.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.261 0.553 . . . . 0.0 109.904 179.241 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -94.67 160.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.402 -171.869 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' A' ' 71' ' ' GLY . . . 176.76 -167.03 38.22 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.051 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -142.46 -61.48 0.44 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.48 0.64 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.81 -111.55 1.59 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.11 178.661 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 -66.7 1.01 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.275 -178.919 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.523 HG11 HG23 ' A' ' 92' ' ' VAL . 98.0 t 71.36 -53.2 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 123.272 0.629 . . . . 0.0 111.779 178.924 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.01 19.36 9.1 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.474 -177.117 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.8 pttp -78.92 -23.02 44.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.232 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -69.75 -32.48 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.884 178.329 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.72 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.557 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.69 -36.3 78.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.736 -175.602 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.9 p -70.29 -44.16 68.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.159 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG22 ' A' ' 40' ' ' VAL . 6.4 tt -67.88 -35.91 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' OE1' ' HG2' ' A' ' 162' ' ' ARG . 81.1 mt-30 -65.57 -37.7 87.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.521 176.194 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.98 -34.02 68.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 61.0 mtm -73.85 -49.22 26.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.367 -179.839 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.8 m-85 -111.8 -76.65 0.59 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.047 -175.707 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 24.2 t70 168.45 -30.34 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.681 0.613 . . . . 0.0 111.047 -174.687 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -95.62 160.03 14.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.395 0.616 . . . . 0.0 112.036 -168.007 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.09 149.62 37.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.708 176.743 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG22 HD13 ' A' ' 32' ' ' LEU . 48.8 t -72.38 100.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 111.177 -179.123 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -79.86 -46.67 16.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.682 176.535 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.72 109.31 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 110.809 -178.821 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -172.86 91.24 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.946 176.344 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 40.7 tt0 -72.18 -63.29 1.28 Allowed Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.288 -176.001 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 26.6 Cg_exo -26.14 -103.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 125.001 3.8 . . . . 0.0 115.814 -167.755 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.54 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 24.2 p 45.23 40.07 4.74 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.016 0.526 . . . . 0.0 112.216 -178.478 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.04 -59.17 2.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.273 0.559 . . . . 0.0 109.761 179.17 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.16 7.94 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.17 171.669 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.74 125.13 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.415 -171.079 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB2' HD13 ' A' ' 67' ' ' LEU . 34.3 t -118.21 138.19 52.49 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.319 0.58 . . . . 0.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.44 145.18 33.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.465 178.974 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -105.87 154.25 20.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.253 0.549 . . . . 0.0 110.861 -176.34 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HG3' HG13 ' A' ' 55' ' ' VAL . 51.6 tptt -127.23 131.17 50.66 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.624 176.901 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.08 117.16 29.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.003 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.9 m -127.2 144.14 38.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.134 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 60' ' ' GLU . 7.5 p -110.66 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.656 0.741 . . . . 0.0 109.246 175.206 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.45 102.81 14.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.818 -179.708 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 77.6 -34.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.786 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.57 -70.29 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.042 -1.551 . . . . 0.0 115.587 -170.548 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -109.12 152.59 24.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.579 0.689 . . . . 0.0 111.612 -168.395 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.28 111.01 6.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.71 178.354 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' GLU . 40.6 t -106.68 141.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.077 -174.151 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -113.07 121.06 43.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.072 0.463 . . . . 0.0 110.154 -176.249 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 tt -123.29 127.21 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -178.21 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.81 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 60.6 m-20 -87.64 129.28 35.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.949 177.893 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -107.64 128.24 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 50' ' ' SER . 45.0 tp -123.53 108.46 12.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.867 0.365 . . . . 0.0 110.369 176.968 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.54 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 28.4 t0 -94.7 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.111 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -93.81 147.58 22.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.132 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.09 124.68 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.636 169.957 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 21' ' ' GLY . . . -95.11 85.44 0.96 Allowed Glycine 0 C--O 1.235 0.201 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.772 -176.193 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 2.5 pt? -152.64 167.31 29.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -73.62 -23.62 59.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.135 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.5 m-20 -58.66 -66.64 0.46 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.141 -176.659 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 72.0 m-85 -81.49 78.69 8.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.633 0.73 . . . . 0.0 111.4 -174.057 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -28.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.776 -179.636 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.901 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -73.74 -12.78 60.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 110.867 -179.404 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.705 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 17.0 mt -96.82 -32.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 178.773 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -92.08 -64.2 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.093 0.473 . . . . 0.0 110.567 178.194 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.64 -55.1 9.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.967 -174.306 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.848 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.3 m-20 -78.0 -18.01 56.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -171.187 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.09 -30.98 13.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.861 -0.524 . . . . 0.0 112.224 -175.926 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.583 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.6 m-30 -66.72 -25.19 66.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.21 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 1.6 tmt_? -59.47 -41.15 89.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.158 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.562 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -92.38 24.8 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.756 0.312 . . . . 0.0 111.621 -178.35 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.93 151.93 17.68 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -96.54 -71.23 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.615 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -110.72 154.66 16.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.219 -176.691 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -131.36 135.99 47.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.998 0.428 . . . . 0.0 111.075 -176.653 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 62.9 mt -104.52 107.58 18.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.211 177.65 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 8.0 mp -80.68 106.48 12.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.06 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 1.083 HG12 ' HB ' ' A' ' 126' ' ' VAL . 18.0 m -117.1 135.87 56.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.033 0.445 . . . . 0.0 110.285 -177.918 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -142.21 171.88 13.45 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 12.2 t -112.52 138.94 48.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.872 177.723 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.96 5.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.454 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 15.4 p -126.87 -0.57 6.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.174 0.511 . . . . 0.0 110.844 176.356 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 32.7 mt-10 -116.93 84.29 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.047 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.641 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 20.7 t-80 -59.02 -30.2 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.756 -170.637 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.26 -46.11 72.57 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 p -70.6 -27.97 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -177.358 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.64 -44.85 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.6 m -72.27 -32.98 67.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.027 0.441 . . . . 0.0 110.683 179.571 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.26 -13.94 62.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.212 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 p -51.1 -48.97 61.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.72 0.295 . . . . 0.0 111.628 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.53 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.61 -42.79 98.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.449 178.676 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -60.64 -51.73 68.13 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.56 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -50.75 -55.92 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.998 -177.472 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -37.43 78.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.927 -177.38 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.91 -34.8 71.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.756 0.312 . . . . 0.0 110.454 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 121' ' ' ILE . 96.9 mt -61.86 -45.28 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.629 177.573 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -40.77 92.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.794 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -57.13 -47.54 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.762 -177.88 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.583 HG21 ' HB2' ' A' ' 83' ' ' PHE . 33.1 m -81.09 -10.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.169 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.533 ' HB3' ' OE2' ' A' ' 118' ' ' GLU . 30.3 mtmt -126.9 -99.39 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.508 -178.625 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.62 -49.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 177.814 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.8 60.37 3.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.31 0.576 . . . . 0.0 110.886 -175.546 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.533 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 pt-20 -142.42 -157.93 0.82 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.15 179.668 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.46 -67.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.923 176.521 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.449 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 9.4 mmtp -160.68 138.24 9.41 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -176.634 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 111' ' ' ILE . 58.9 mt -98.65 109.38 52.95 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.559 177.345 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.615 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.2 Cg_endo -82.45 126.11 4.67 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 178.931 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.95 132.99 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.436 0.636 . . . . 0.0 111.002 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.808 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -129.75 118.04 21.22 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.785 172.867 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 17.5 t -90.39 127.36 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.923 -177.289 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 1.083 ' HB ' HG12 ' A' ' 92' ' ' VAL . 49.6 t -120.48 131.34 72.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.95 -175.535 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.97 122.49 7.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.726 178.455 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -113.38 177.58 4.58 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.546 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 69.32 16.84 8.32 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.185 0.594 . . . . 0.0 110.689 -179.164 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 m -65.33 -5.66 7.92 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.925 -177.855 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.67 -22.78 62.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.134 -179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 64.0 mt -68.22 -49.1 62.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.476 -179.103 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 62.04 -74.13 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 124.116 0.885 . . . . 0.0 112.494 178.191 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.98 -21.69 56.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.077 0.465 . . . . 0.0 110.952 -175.671 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 81.1 mtp180 -85.59 1.6 48.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.622 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -54.56 114.99 1.89 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.282 -176.824 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.641 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 35.9 tt0 -81.22 -39.35 25.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 -178.695 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.7 p -117.9 123.88 29.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 -179.338 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 51.4 Cg_exo -56.7 126.08 21.09 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.053 2.502 . . . . 0.0 112.426 -179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.4 -22.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.056 178.926 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.7 -53.07 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.863 179.559 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -73.46 -29.5 62.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.806 178.595 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.1 mtp180 -60.25 -40.81 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.378 0.609 . . . . 0.0 110.93 177.532 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -75.32 -31.82 60.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.453 -172.932 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 14.0 tppt? -63.38 -48.95 75.77 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.241 178.031 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 152' ' ' VAL . . . -65.18 -37.11 86.32 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.703 177.386 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.38 -37.97 85.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 -178.718 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.44 -25.62 66.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.43 178.166 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.429 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 48.4 m0 -84.01 -4.36 58.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.93 0.395 . . . . 0.0 110.447 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.96 20.02 76.63 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.851 -178.975 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 147' ' ' ALA . 15.6 m -110.76 -179.94 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.266 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.808 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -110.63 149.68 30.08 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.458 177.088 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 86.9 t80 -121.89 122.64 39.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.871 176.642 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 40.4 t -122.77 135.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.309 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.9 143.91 27.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 178.691 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.2 p -131.12 154.75 47.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 178.414 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.2 m -133.35 103.56 6.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.618 176.735 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.71 6.92 13.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -178.891 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -87.1 -50.1 6.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.95 179.831 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 p -97.06 -2.61 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.428 ' HG2' ' OE1' ' A' ' 33' ' ' GLN . 87.6 mtm180 62.36 61.98 1.21 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.108 -175.243 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -121.71 134.71 54.95 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.843 -178.499 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 70.0 10.82 7.55 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.833 0.708 . . . . 0.0 111.667 176.084 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.76 -54.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.812 -176.834 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -74.16 -24.95 59.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 -178.514 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.7 -49.61 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.686 -176.897 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 35.7 m -68.34 -24.75 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.902 -177.151 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -74.36 -56.33 4.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.483 179.188 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -63.09 -32.89 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.307 -175.198 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.19 -51.06 65.6 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.787 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.575 HD11 HD11 ' A' ' 176' ' ' ILE . 1.7 tm? -65.12 -39.17 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.896 177.352 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.8 mtp -60.59 -31.25 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.478 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -67.85 -48.09 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.812 176.988 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.67 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 4.3 mm-40 -52.61 -44.93 66.33 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 177.359 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 172' ' ' LEU . 60.8 mt -58.89 -29.38 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.511 -177.246 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -65.1 -49.61 69.31 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.368 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.3 m -57.55 -32.4 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -178.204 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.1 mptt -70.28 -48.55 56.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 12' ' ' LEU . 14.2 ptpt -75.83 -20.07 58.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.649 179.037 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.563 0.221 . . . . 0.0 110.918 174.686 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.484 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 31.7 mt-30 -59.87 -28.89 67.91 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.62 0.247 . . . . 0.0 110.951 -178.189 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.14 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 110.503 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.39 91.72 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.843 177.597 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.633 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.9 mm -59.06 -48.69 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 175.906 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -58.59 -40.28 82.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.342 -178.954 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.06 -38.37 90.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 179.052 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.548 ' HB3' HD11 ' B' ' 439' ' ' LEU . 3.4 tp10 -73.94 -35.77 64.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.053 179.507 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 398' ' ' ILE . 74.0 mt -57.98 -54.28 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.748 175.902 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -63.32 -29.41 70.73 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 77.4 ttt180 -59.2 -50.68 73.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.047 174.843 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -73.02 -29.77 63.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 -179.122 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 81.4 mt-10 -61.96 -40.33 95.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.899 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.66 -44.23 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.689 176.317 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.3 mt -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.227 -178.519 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 40.9 tp -68.78 -32.46 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.229 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.73 -44.86 93.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.124 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 7.6 t -60.89 -54.49 44.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.839 177.662 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.5 mm? -52.73 -32.94 45.73 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.469 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.448 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 32.6 m170 -71.24 -50.69 30.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.008 177.878 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -77.07 -39.96 47.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -171.574 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -64.13 -39.41 93.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.916 0.388 . . . . 0.0 110.732 -178.653 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.578 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -78.22 -33.53 49.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.901 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 1.8 mt-30 -71.49 -12.29 61.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.078 174.055 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.85 -8.45 84.28 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.953 175.538 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 7.35 32.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.412 175.643 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 70.5 mt -102.6 117.26 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.006 0.403 . . . . 0.0 110.23 176.746 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.12 144.73 47.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.743 0.782 . . . . 0.0 111.503 179.42 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.1 t70 -148.67 161.73 41.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.28 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.512 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.1 mp -66.02 -26.33 67.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.11 0.481 . . . . 0.0 110.504 -177.791 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.4 m -66.98 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.0 176.007 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.3 mmtt -73.41 -44.09 59.09 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.382 -175.665 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 24.8 mt-10 -60.53 -48.46 81.67 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.038 -178.379 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 6.4 mm-40 -64.26 -44.71 90.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.791 177.765 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.489 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 tpt180 -68.61 -32.28 72.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 -177.1 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.461 HD22 ' CZ ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -56.18 -49.92 72.68 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.27 0.557 . . . . 0.0 109.568 176.727 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -65.26 -45.08 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.1 176.595 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.51 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 48.4 mt-10 -57.66 -55.85 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.073 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.0 p -61.35 -35.52 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.595 -176.783 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -62.28 -48.47 79.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.059 0.457 . . . . 0.0 110.762 174.519 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.51 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 31.5 mtp180 -59.99 -38.54 82.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -70.53 -42.26 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.452 178.121 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' B' ' 406' ' ' GLU . 3.2 tm? -57.63 -50.93 71.54 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.212 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 4.5 t -69.43 -30.89 68.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 -177.013 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.05 -38.05 75.7 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.33 174.922 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -59.85 -44.59 94.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.651 179.742 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.546 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -68.07 -42.92 79.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.16 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.1 mmmt -61.54 -27.95 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.973 176.418 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.27 -41.08 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.982 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -77.36 -16.81 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.359 176.361 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.54 -9.22 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.989 -175.312 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.484 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.6 179.005 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.234 0.27 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.54 15.06 2.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.743 174.226 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -149.25 112.4 4.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.119 0.485 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 10.3 m170 -126.81 136.2 52.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.424 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -111.54 123.58 50.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.308 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.7 120.01 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.593 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.7 mt -106.15 131.34 56.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 0.0 111.588 -174.682 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.772 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 9.1 mmt -88.59 111.93 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.799 175.015 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 90' ' ' LEU . 19.8 m -94.76 175.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.587 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.88 175.29 39.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.861 -1.162 . . . . 0.0 113.021 179.467 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.773 ' HB2' ' HE1' ' A' ' 107' ' ' PHE . 5.1 t -153.64 25.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.48 -139.25 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.277 -176.993 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.16 -73.74 1.01 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 119.865 -1.16 . . . . 0.0 112.185 178.097 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t 69.55 -46.56 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 112.158 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.51 31.59 4.23 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.158 -178.691 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.909 ' HB3' HG21 ' A' ' 92' ' ' VAL . 58.5 pttt -66.75 -40.64 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -174.45 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . 17.0 p -78.08 1.72 20.17 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.83 -174.462 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.96 -48.62 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 170.564 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.72 -40.93 96.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.292 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.5 p -65.4 -43.21 91.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.241 -176.771 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.93 -41.99 81.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.598 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.24 -35.23 79.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 178.505 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -69.13 -46.13 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 178.756 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 71.8 mtm -74.91 -41.43 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.649 -175.253 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -93.57 5.14 52.6 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.335 -176.037 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 73.36 -38.46 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.686 0.794 . . . . 0.0 112.664 172.351 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -106.29 -177.87 3.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.473 . . . . 0.0 111.407 -176.169 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -74.68 142.47 44.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.164 178.222 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG11 ' HD1' ' A' ' 43' ' ' TYR . 9.6 t -72.34 104.39 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.611 -173.702 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -100.09 -21.69 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.556 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.38 85.32 2.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.447 172.6 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.438 ' HD1' HG11 ' A' ' 40' ' ' VAL . 48.9 t80 -105.17 116.93 32.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.95 -177.119 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -120.88 146.01 42.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.152 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.95 107.03 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.276 2.651 . . . . 0.0 113.407 -178.192 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -87.7 93.03 9.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -87.75 -56.84 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 110.524 175.61 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.62 14.13 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.7 0.762 . . . . 0.0 109.537 175.054 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -86.83 103.94 15.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.077 -173.333 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -109.51 171.74 7.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.734 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 6.8 t80 -161.47 168.79 23.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.11 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' CB ' ' A' ' 52' ' ' ARG . 1.3 ptp180 -136.51 161.23 36.44 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.527 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 64' ' ' ILE . 49.1 tptt -127.64 143.01 51.2 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.617 -178.474 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -94.96 120.46 35.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 109.983 172.08 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.31 143.5 36.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.602 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 6.7 p -94.28 102.37 13.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.823 0.82 . . . . 0.0 109.308 178.279 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.72 102.07 14.68 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.944 -174.533 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.25 5.78 4.42 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.334 170.186 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.84 -30.23 1.81 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.257 176.679 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.4 pt-20 -95.74 130.18 42.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.192 0.496 . . . . 0.0 109.861 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -71.76 111.73 7.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 169.566 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.1 t -106.08 153.52 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.259 -166.816 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.29 119.25 38.63 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 167.883 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' LYS . 12.1 tt -101.03 111.16 29.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.872 0.844 . . . . 0.0 109.273 -178.42 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.662 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 21.2 t70 -87.95 109.52 19.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.959 -173.596 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mm -108.65 120.73 60.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.131 -173.059 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 82' ' ' TYR . 57.6 tp -111.49 118.51 35.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.262 176.946 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.567 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 24.0 t0 -98.77 94.98 6.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.34 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -78.17 149.59 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.088 -172.53 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.62 106.92 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 172.491 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' ' 79' ' ' ARG . . . -81.49 72.65 2.73 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.476 -178.048 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -150.6 170.99 17.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.818 0.342 . . . . 0.0 110.656 178.778 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 -24.69 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.874 -175.175 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.455 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.4 m-20 -61.94 -73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.353 0.596 . . . . 0.0 111.294 -177.471 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.401 ' CB ' HD12 ' A' ' 78' ' ' ILE . 65.5 m-85 -78.12 68.09 4.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.195 -176.507 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.14 68.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.216 177.258 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.19 -15.71 61.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.271 -179.698 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 64.9 mt -96.57 -32.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.722 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 27.5 ttp180 -92.35 -61.07 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.042 177.855 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.6 -53.96 10.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.591 -173.633 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.547 ' HB3' HD23 ' B' ' 416' ' ' LEU . 26.2 m120 -76.0 -17.65 59.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.668 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -79.64 -23.78 42.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.33 -179.382 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB2' HG21 ' A' ' 114' ' ' VAL . 22.1 m-30 -73.67 81.3 1.54 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.694 ' HG3' ' HB2' ' B' ' 426' ' ' GLU . 86.5 mmt-85 -133.88 -84.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.125 177.671 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.25 40.22 0.48 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.11 0.481 . . . . 0.0 111.733 -174.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.65 134.65 9.43 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.714 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 15.9 mp0 -87.6 -65.31 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.788 0.327 . . . . 0.0 110.81 -178.531 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.65 139.8 14.81 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.147 -171.986 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.516 ' CE2' HD12 ' A' ' 18' ' ' ILE . 94.7 m-85 -125.33 126.68 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 178.578 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 97.3 mt -96.66 116.61 29.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.428 179.493 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 123' ' ' LEU . 57.3 mt -90.47 107.18 19.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.128 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.909 HG21 ' HB3' ' A' ' 27' ' ' LYS . 18.8 m -108.87 139.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 -175.415 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -153.42 164.94 37.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 t -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.176 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.45 5.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.494 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.58 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.5 p -92.56 -27.16 17.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.213 0.53 . . . . 0.0 110.403 174.766 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.15 110.85 22.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.329 -178.489 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -70.88 -19.51 62.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.815 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.37 -55.01 24.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.407 179.118 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 m -59.0 -33.14 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.531 177.739 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -63.92 -36.08 82.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 177.57 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -79.87 -29.42 39.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.413 0.625 . . . . 0.0 110.096 178.8 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -13.91 62.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.933 -178.823 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 35.8 p -54.22 -39.63 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 178.112 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.08 82.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.759 177.469 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.49 87.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.34 179.197 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.773 ' HE1' ' HB2' ' A' ' 22' ' ' SER . 5.3 m-85 -57.76 -49.17 77.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.415 0.626 . . . . 0.0 109.721 178.064 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -59.23 -50.76 72.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.808 -176.922 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -32.64 74.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.953 -176.814 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.911 0.386 . . . . 0.0 109.976 177.676 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 107' ' ' PHE . 61.7 mt -62.72 -50.19 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.093 179.084 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.88 -24.19 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.262 -178.135 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 -178.799 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB2' ' A' ' 83' ' ' PHE . 22.6 m -95.35 -21.2 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.054 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HG2' HG23 ' A' ' 114' ' ' VAL . 6.7 mmmt -109.61 -84.09 0.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -177.876 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.6 -64.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.622 0.769 . . . . 0.0 112.915 179.231 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -80.11 54.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.147 0.499 . . . . 0.0 111.375 -175.392 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -103.92 178.31 4.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.801 -178.535 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.98 -69.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 170.62 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 35.0 mmtm -157.48 134.73 10.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.742 172.599 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 53.5 mt -101.52 104.36 33.68 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.501 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 7.9 Cg_endo -88.61 120.92 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.395 2.73 . . . . 0.0 112.665 179.794 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 91' ' ' LEU . 7.3 mp -109.89 153.89 23.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.29 177.799 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.9 tp -136.67 121.5 18.68 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.472 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.494 ' N ' HD12 ' A' ' 124' ' ' LEU . 23.1 t -86.06 116.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.094 -178.923 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -110.26 119.08 58.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.381 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.66 113.22 4.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.234 177.756 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -104.34 169.53 8.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 -177.404 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 69.14 33.01 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.697 0.623 . . . . 0.0 111.17 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -75.27 54.33 0.7 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.6 0.714 . . . . 0.0 109.692 174.682 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -135.01 0.9 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.032 -175.798 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.58 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.4 OUTLIER -99.78 -51.04 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 -179.467 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 64.59 -71.33 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 112.371 179.361 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 10.5 pt-20 -66.43 -21.47 66.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.995 0.426 . . . . 0.0 111.652 -175.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 54.0 mtt-85 -93.0 21.39 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -175.285 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.578 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 48.1 ttp180 -63.36 113.71 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -178.98 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -92.52 -27.68 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.156 0.503 . . . . 0.0 110.039 175.944 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 4.2 p -130.97 122.98 19.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 36.3 Cg_exo -62.27 133.48 43.75 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.916 2.411 . . . . 0.0 112.645 178.594 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -54.16 -28.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.021 174.625 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.44 -42.49 78.2 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.778 178.004 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.12 -39.0 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.277 179.515 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.02 88.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 178.879 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.6 mtp180 -70.29 -32.88 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.5 179.223 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.8 t -58.22 -45.01 88.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 178.311 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.74 -42.83 99.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.98 88.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.426 . . . . 0.0 110.528 177.339 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.76 -42.08 98.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.479 178.882 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.27 -36.45 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -178.423 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -83.77 -9.82 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -178.016 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.28 25.3 61.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.322 178.951 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.41 176.83 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 120.577 0.227 . . . . 0.0 110.696 -177.971 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.3 pm0 -102.2 157.79 16.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.087 175.519 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -120.7 121.2 37.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.156 175.749 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 127.44 74.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -177.951 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.56 122.88 30.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.496 178.709 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.6 p -129.87 150.83 50.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.372 0.606 . . . . 0.0 111.706 -177.02 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.8 p -136.68 102.31 4.87 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 173.721 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.73 -12.25 33.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.172 178.949 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -61.91 -36.31 80.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.423 179.762 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -130.93 12.68 5.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 -178.767 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 66.59 22.75 10.47 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.598 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.17 119.44 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.289 -177.215 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 69.59 7.74 6.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.765 175.628 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -42.19 94.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -175.796 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.86 -25.33 53.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.358 -176.901 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.89 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -175.545 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.38 -28.65 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.433 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -74.76 -51.3 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.693 0.283 . . . . 0.0 110.555 179.649 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -67.29 -39.69 86.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.063 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.768 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.166 -178.36 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.488 ' HA ' HD12 ' A' ' 176' ' ' ILE . 46.9 mtm -63.82 -29.94 71.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.728 -179.409 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -59.12 -43.85 91.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.032 178.518 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.82 -32.79 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 178.278 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 173' ' ' MET . 73.3 mt -59.23 -31.89 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.181 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -66.81 -51.62 53.55 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.526 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.0 m -60.65 -39.56 88.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.146 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.1 mptt -67.41 -45.05 77.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -178.924 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -73.89 -31.03 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 177.21 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.205 0.526 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 81.2 mt-30 -62.6 -27.75 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.673 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -59.95 -55.71 30.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.588 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.79 91.87 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 45.7 mm -61.87 -53.21 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.651 0.262 . . . . 0.0 110.85 177.957 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.2 mttt -63.84 -36.47 84.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.728 -175.814 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 70.6 mm-40 -58.93 -47.61 84.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.162 0.506 . . . . 0.0 109.963 176.371 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.73 -37.88 82.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.335 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 97.3 mt -55.92 -53.29 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.518 178.28 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.461 HH11 ' HD2' ' B' ' 403' ' ' ARG . 56.4 mtt85 -58.38 -35.37 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.287 -177.7 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -69.0 -44.82 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.864 179.129 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 30.8 mm-40 -72.55 -29.89 63.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.538 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 51.5 mt-10 -60.01 -46.47 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 173.7 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.2 -43.11 99.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.032 178.176 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 412' ' ' LEU . 38.0 mt -60.99 -52.46 64.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.786 179.593 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.42 -44.39 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.141 0.496 . . . . 0.0 110.027 178.579 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.46 -47.11 79.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.072 177.762 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 14.0 t -60.0 -55.45 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.714 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.9 mm? -56.17 -35.75 67.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.983 0.421 . . . . 0.0 111.5 179.459 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.571 ' HD2' HD21 ' B' ' 429' ' ' LEU . 21.4 m170 -70.39 -34.15 72.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.92 -50.71 10.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.639 0.257 . . . . 0.0 111.349 177.069 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -57.55 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.82 -174.375 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.9 mp -69.13 -26.74 65.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.702 -178.527 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.7 tt0 -69.43 -35.82 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.183 0.516 . . . . 0.0 109.857 177.282 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.41 -25.47 74.24 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.377 178.057 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.14 18.24 3.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.24 116.66 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.941 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -139.03 144.97 39.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.949 0.881 . . . . 0.0 111.95 179.469 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.747 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.9 t70 -149.49 162.54 39.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.459 179.068 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.69 -30.65 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.014 0.435 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.1 m -66.31 -32.22 73.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 177.969 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.747 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.6 mmtt -69.65 -52.45 25.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.734 -175.007 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.694 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . 6.2 pt-20 -66.44 -37.12 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.646 -175.124 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.35 -41.6 76.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.669 0.271 . . . . 0.0 111.131 175.276 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -61.65 -41.24 97.24 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.704 0.288 . . . . 0.0 110.564 174.489 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -55.4 -53.42 56.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.014 -176.143 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.503 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 48.0 m95 -62.54 -47.96 81.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.489 -179.316 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.28 -49.91 73.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.057 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.7 p -62.48 -35.24 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.945 0.402 . . . . 0.0 110.505 179.833 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 19.5 tp60 -56.86 -49.06 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 173.906 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 33.9 mtt180 -68.2 -37.75 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.445 179.655 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -61.15 -46.29 96.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.31 176.885 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 30.0 tp -64.2 -37.51 87.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.155 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.563 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.12 -39.89 68.53 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.643 -178.708 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.81 -35.82 80.94 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 109.613 174.665 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.486 ' HG ' HG12 ' B' ' 402' ' ' ILE . 30.9 tp -66.74 -35.78 80.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.183 178.662 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.58 -43.3 93.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.269 0.557 . . . . 0.0 109.759 173.461 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -59.55 -44.46 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.459 177.781 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.0 mmmt -58.98 -34.12 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.441 178.537 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 60.1 tp -66.02 -44.54 84.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.441 178.249 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -82.53 -2.1 52.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.454 179.589 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.51 -25.75 22.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.089 179.387 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.699 179.96 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 177' ' ' ARG . 76.1 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.706 0.288 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 2.23 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 178.819 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -123.48 123.33 40.41 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.654 178.745 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HE1' ' HB3' ' A' ' 177' ' ' ARG . 15.0 m-70 -133.27 135.41 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.017 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.46 125.95 50.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.259 0.552 . . . . 0.0 110.727 176.981 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.8 129.17 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.78 -174.243 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.79 122.24 63.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 29.5 mtt -90.63 127.95 36.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.205 175.431 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.99 173.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.16 -173.0 27.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.875 -179.387 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -87.22 -10.08 53.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.325 0.583 . . . . 0.0 110.556 179.71 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.96 -45.66 1.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.085 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.11 -1.55 49.6 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.431 -0.384 . . . . 0.0 113.033 -178.316 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 29.7 m -78.18 -0.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.775 -177.524 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.84 26.17 63.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.602 178.186 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 9.8 ptmm? -62.48 -31.0 71.67 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.764 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 m -75.33 -24.03 57.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 178.06 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.5 68.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.457 -177.175 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 128' ' ' ASN . 80.6 mt -68.99 -39.27 79.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.899 -176.635 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -67.41 -46.68 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.81 -178.208 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.77 -40.02 72.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 177.057 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -60.81 -52.17 66.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.417 177.18 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -67.68 -27.69 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -176.514 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -91.47 -52.58 4.71 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -174.04 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -109.89 -5.35 15.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.9 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.45 22.5 7.81 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.448 0.468 . . . . 0.0 111.522 179.88 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -125.32 159.12 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.953 0.406 . . . . 0.0 110.63 179.609 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.32 146.83 24.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.649 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.66 110.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 122.01 0.909 . . . . 0.0 111.53 -176.174 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -101.59 -43.75 5.79 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.802 175.7 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.8 94.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 177.504 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -170.57 90.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.564 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.617 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 62.0 mm-40 -104.26 -42.64 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.722 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.8 Cg_exo -26.59 -81.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 123.907 3.071 . . . . 0.0 114.98 -175.67 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 11.8 p 44.49 45.4 7.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.323 0.582 . . . . 0.0 111.649 -177.915 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.64 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 109.353 178.303 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' B' ' 409' ' ' LEU . . . -126.53 26.81 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.991 172.868 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.815 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -84.04 65.59 8.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.766 -171.777 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m -91.68 150.94 20.89 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.929 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 75.8 m-85 -142.43 160.19 40.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.958 0.409 . . . . 0.0 111.345 -176.542 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.53 ' HD2' ' OE1' ' A' ' 63' ' ' GLN . 4.0 tpp180 -94.42 108.15 20.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.344 -176.59 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -110.78 119.67 39.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.921 0.391 . . . . 0.0 110.152 177.678 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.49 126.39 41.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.541 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.53 147.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.52 175.806 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.05 115.03 44.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.13 178.552 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 170' ' ' PHE . 86.4 mt -93.95 96.04 9.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.505 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 20.79 85.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 125.272 1.607 . . . . 0.0 113.699 -174.273 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.01 -57.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.811 175.372 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.39 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.192 0.496 . . . . 0.0 111.875 -172.58 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.1 109.68 7.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 168.673 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -106.68 139.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -175.152 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.53 ' OE1' ' HD2' ' A' ' 52' ' ' ARG . 72.8 mt-30 -113.45 127.43 56.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.68 125.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.533 0.682 . . . . 0.0 110.337 177.852 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.36 117.77 35.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.444 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.88 128.6 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.744 -174.101 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 430' ' ' TRP . 57.1 tp -116.77 114.31 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.468 172.472 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.7 t70 -94.03 94.53 8.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.688 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -72.59 148.53 44.81 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.086 -175.317 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -75.97 142.94 41.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.968 174.388 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.61 22.44 39.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.993 -179.598 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -103.72 163.46 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 111.33 -177.525 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -93.57 -3.68 52.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.265 -178.734 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -59.16 -72.96 0.09 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.672 -178.518 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.57 -54.3 9.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.406 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.98 -45.55 0.5 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.096 -173.898 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.21 -38.18 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.432 0.693 . . . . 0.0 112.483 179.557 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.59 -36.78 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.22 0.325 . . . . 0.0 110.996 -177.204 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.0 ttm180 -93.52 -64.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.398 0.618 . . . . 0.0 111.262 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 3.4 m-20 -74.68 -41.78 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.34 -168.217 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 9.8 m120 -76.21 -15.79 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -176.584 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 77' ' ' ALA . 12.7 m-85 -89.01 1.42 55.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.477 176.51 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 8.0 m-30 -72.66 -169.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.767 -178.746 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.724 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 89.4 mtt180 70.22 -68.04 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.713 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 m -63.02 -24.22 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.904 0.383 . . . . 0.0 110.426 179.713 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.18 136.24 23.58 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 173.587 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.41 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -175.327 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.48 145.32 17.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.95 -176.913 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -128.57 135.42 49.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.146 0.498 . . . . 0.0 110.95 -179.159 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 95.2 mt -111.44 114.61 27.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.169 177.901 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 125' ' ' VAL . 45.7 mt -85.49 106.52 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.988 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -109.8 132.75 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.423 -175.891 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 26.2 p90 -147.98 160.88 42.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.073 178.04 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 39.9 t -95.18 146.28 24.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.145 176.767 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.49 6.36 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.161 0.505 . . . . 0.0 111.348 -178.305 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.911 HG21 HD22 ' A' ' 132' ' ' LEU . 42.4 p -123.92 5.9 8.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.88 0.371 . . . . 0.0 111.33 176.507 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 61.1 mt-10 -109.74 96.79 6.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.012 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -66.21 -30.05 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.338 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.24 -53.14 59.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.562 177.331 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -64.66 -32.39 74.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 110.576 179.015 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.58 -49.38 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.234 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 m -67.29 -29.19 68.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.194 0.521 . . . . 0.0 110.769 178.272 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.61 -21.96 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.207 -177.164 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.601 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.5 p -58.99 -35.88 73.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 -179.456 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.19 92.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.637 177.226 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.45 -42.16 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.436 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.5 m-85 -58.31 -51.48 69.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -178.464 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 108' ' ' ARG . 2.2 ptm180 -62.36 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -175.8 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.7 -33.43 73.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.99 -179.084 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.82 -33.74 76.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 178.58 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.7 mt -65.49 -47.18 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.05 178.376 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.81 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.749 178.377 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -63.81 -30.41 71.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.165 -179.329 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.7 m -108.76 -21.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.293 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.724 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 29.8 mtpp -106.64 -91.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -177.24 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.29 -68.1 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.601 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.41 38.76 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.819 0.448 . . . . 0.0 112.179 -172.956 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.687 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 3.6 mm-40 -100.34 -162.25 0.93 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.075 -176.183 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 62.7 m-20 -63.55 -79.35 0.04 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.703 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.913 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.4 mmtm -157.18 141.72 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.514 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 111' ' ' ILE . 44.8 mt -98.65 107.73 44.39 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 120.65 0.262 . . . . 0.0 110.612 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -93.39 122.14 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 123.328 2.686 . . . . 0.0 111.851 176.699 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.4 mp -117.54 124.89 49.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 0.0 110.351 -179.338 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.747 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -115.49 117.43 30.36 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 174.82 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.744 HG22 HD12 ' A' ' 91' ' ' LEU . 13.1 t -84.25 116.14 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.574 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.03 109.24 27.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.438 -176.371 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.62 115.07 3.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 174.632 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.611 HD21 HD21 ' A' ' 30' ' ' LEU . 6.2 t-20 -124.85 -169.97 2.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.986 0.393 . . . . 0.0 109.987 -176.37 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 131' ' ' ASP . 29.3 mmmt 60.85 24.9 14.84 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.464 0.477 . . . . 0.0 110.278 -176.311 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.41 ' HB2' ' HB3' ' A' ' 158' ' ' SER . 19.2 m -72.2 30.11 0.05 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.464 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.7 t70 -84.61 -28.42 26.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.595 0.712 . . . . 0.0 109.373 176.267 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.911 HD22 HG21 ' A' ' 96' ' ' THR . 6.1 mp -82.04 80.74 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.573 178.117 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -82.29 -42.88 18.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.513 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -82.06 -22.14 36.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.141 -178.959 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -105.89 8.53 32.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.735 -174.708 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.0 ttm105 -52.71 114.51 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.945 -178.129 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.612 ' HB2' ' HA ' ' A' ' 96' ' ' THR . 30.3 mm-40 -87.71 -33.13 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.785 -176.819 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 p -118.58 120.97 31.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.044 0.45 . . . . 0.0 110.695 176.908 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 123.26 13.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.064 2.509 . . . . 0.0 111.925 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.634 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -70.29 -18.28 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.937 -176.524 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.81 -50.82 69.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.274 178.826 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.77 -24.47 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.184 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.48 85.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.237 173.693 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.706 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 23.1 mtp180 -64.21 -39.57 94.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.179 0.514 . . . . 0.0 110.074 175.138 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.0 t -63.61 -33.0 74.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.609 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -65.81 -37.25 85.76 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -62.3 -37.43 85.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 0.0 110.095 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.42 -40.2 85.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.601 178.407 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.54 -40.57 92.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.919 179.453 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -88.66 -4.33 58.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.13 -176.431 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.22 40.8 70.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.625 179.17 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 29.2 m -125.62 -173.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.549 0.214 . . . . 0.0 111.22 -178.38 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.747 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -99.86 155.15 17.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.485 177.029 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.706 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 58.0 t80 -132.28 124.67 29.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.44 124.64 67.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 -179.276 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -85.19 115.1 22.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.061 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 80.6 p -121.62 162.02 21.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -174.317 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 30.0 p -152.93 130.13 11.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.362 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.75 -0.55 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.437 0.636 . . . . 0.0 110.166 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -79.51 -44.59 20.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.51 -179.925 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 40.1 p -99.99 -9.17 23.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 -178.336 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 45.56 9.99 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.452 -177.256 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -115.99 136.11 53.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 70.44 7.97 6.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.879 176.846 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 168' ' ' VAL . 82.4 t -70.52 -52.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.655 0.264 . . . . 0.0 110.622 -178.583 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -72.29 -23.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -57.83 -47.11 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.522 -176.596 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -65.03 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.901 -174.841 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -70.95 -50.86 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.637 -179.556 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.453 ' CD1' HD21 ' A' ' 57' ' ' LEU . 47.4 m-85 -68.11 -38.91 82.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.276 -177.421 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.53 -51.91 67.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.628 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 176' ' ' ILE . 37.8 tp -61.64 -42.94 99.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.552 -179.003 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.8 mtm -61.24 -30.82 70.68 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.648 -178.515 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 9.5 mmm180 -68.0 -39.9 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.907 179.412 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.733 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 21.3 mt-10 -72.7 -37.29 67.88 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.795 175.127 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -54.63 -48.12 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.606 0.241 . . . . 0.0 111.082 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 181' ' ' MET . 13.9 ptp180 -67.86 -29.12 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.767 -178.377 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.2 m -77.19 -31.32 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -178.22 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.913 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 70.7 mmtt -66.11 -36.51 83.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.068 0.461 . . . . 0.0 110.255 178.934 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 24.5 mtpp -74.11 -21.65 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 -177.742 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 61.6 mtt . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.819 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.552 ' O ' HG12 ' B' ' 398' ' ' ILE . 46.9 m . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.94 -30.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.87 -54.91 41.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.19 -34.81 90.98 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.963 178.845 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 394' ' ' THR . 46.4 mm -60.45 -52.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.338 . . . . 0.0 110.168 176.374 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 63.0 mttm -59.11 -43.98 91.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.606 -178.084 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.21 -38.55 90.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.164 -178.157 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.648 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 8.5 tp10 -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.957 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.686 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.5 mt -53.62 -53.58 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.592 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 79.2 mtp180 -61.79 -35.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.939 -177.17 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.648 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 38.0 ttm180 -61.2 -52.56 64.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.37 176.637 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.1 mm-40 -68.77 -27.8 66.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.14 -176.93 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.9 mt-10 -60.38 -37.41 80.7 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.019 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.99 -49.44 67.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 178.27 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.549 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.9 mp -56.09 -52.2 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.999 176.028 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.514 HD23 HG13 ' B' ' 432' ' ' VAL . 2.4 tm? -56.21 -47.1 79.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.12 177.574 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -57.58 -45.8 84.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.167 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.73 -55.27 36.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.379 -178.294 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -52.17 -43.08 63.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.92 0.391 . . . . 0.0 111.033 177.863 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.83 -44.14 96.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.374 -179.85 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -76.48 -41.03 48.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.28 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.3 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.384 -179.126 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 38.6 mt -70.4 -27.52 64.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.443 -175.624 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.23 -23.99 62.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 178.285 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.72 3.35 56.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.156 -178.632 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.82 28.76 10.64 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.908 178.494 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.5 133.58 68.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.843 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -155.52 144.77 20.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 0.0 111.798 178.898 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.578 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 24.8 t70 -150.86 166.88 29.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.761 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.26 -23.94 62.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.416 0.627 . . . . 0.0 110.603 -179.43 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -67.86 -31.48 71.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.615 175.898 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 60.8 mmtt -72.72 -49.74 29.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.61 -176.567 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.5 ' OE1' ' HD2' ' A' ' 84' ' ' ARG . 8.9 pt-20 -59.34 -45.65 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.997 -177.819 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.2 mm-40 -63.23 -47.01 84.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.004 178.433 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.553 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.5 mmt180 -61.09 -37.23 81.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.898 178.242 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.407 HD11 HD12 ' B' ' 416' ' ' LEU . 9.1 mt -56.37 -49.93 73.02 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.004 177.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.555 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 93.7 m95 -70.66 -34.35 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.867 -177.489 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.553 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 54.4 mt-10 -61.61 -56.4 20.3 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.803 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.9 p -64.96 -33.26 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.408 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -54.88 -52.23 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.394 177.271 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.2 mpt_? -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.245 -178.196 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.8 mt -65.77 -47.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.826 0.345 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.423 HD11 HG23 ' B' ' 402' ' ' ILE . 34.8 tp -59.85 -42.91 94.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.686 -179.068 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.2 -34.46 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.289 -178.308 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.33 -39.49 94.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.031 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.686 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.2 mp -59.3 -44.14 92.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 175.824 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -58.45 -41.35 84.92 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.244 0.545 . . . . 0.0 110.194 177.102 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.403 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 2.4 tmt_? -67.39 -43.68 80.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.572 179.166 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.5 mmmm -57.98 -35.97 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.018 176.786 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.1 -45.01 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.548 178.028 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.33 -2.93 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.38 179.2 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -91.61 -20.14 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.398 0.618 . . . . 0.0 109.518 175.454 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.438 179.357 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -93.86 17.52 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.508 -177.976 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 36.1 tp -130.24 127.42 39.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.487 174.96 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -132.25 144.57 50.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -175.435 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 30.8 mmtp -118.54 132.05 56.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.847 0.356 . . . . 0.0 110.063 179.161 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' HB ' HD13 ' A' ' 66' ' ' ILE . 83.3 t -127.85 117.98 47.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.685 177.76 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.2 mt -91.98 116.74 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.552 175.797 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.445 ' HE3' HG21 ' A' ' 92' ' ' VAL . 8.3 tpt -84.57 103.84 14.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.91 -176.54 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.95 143.21 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -175.011 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.83 -176.67 38.62 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.213 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -110.51 8.19 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.513 0.673 . . . . 0.0 109.991 -176.738 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.13 -80.85 0.36 Allowed Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.686 -178.286 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.7 46.32 1.29 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.401 -175.713 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 27' ' ' LYS . 34.5 m -86.86 9.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.338 0.589 . . . . 0.0 110.083 175.6 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.62 40.7 79.76 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.369 -177.775 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 25' ' ' VAL . 18.6 pttp -82.78 -16.58 47.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.99 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.6 m -77.26 -19.55 56.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 177.234 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -70.39 -50.15 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.938 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.28 -39.82 95.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.16 -176.667 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -69.91 -36.95 75.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -177.932 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -60.29 -49.51 77.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.754 177.567 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' ' 39' ' ' PHE . 45.2 mt-30 -66.25 -35.23 79.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.259 -176.706 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 87.6 t80 -69.13 -37.91 78.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.335 -178.764 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.6 mtm -91.83 -47.93 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.759 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' ' 32' ' ' LEU . 96.4 m-85 -91.93 -1.5 57.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.38 -175.42 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 69.97 2.35 3.86 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.715 0.634 . . . . 0.0 112.394 171.306 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 45.2 mt-10 -131.97 165.91 22.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.021 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.639 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 69.8 t80 -75.74 141.03 42.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.895 0.379 . . . . 0.0 110.597 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.592 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -70.02 123.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.446 0.641 . . . . 0.0 111.331 -179.566 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.62 -47.06 3.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.597 178.532 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -148.82 100.43 3.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.279 176.055 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -163.5 107.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.918 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 mm-40 -116.53 -42.23 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -179.422 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 5.7 Cg_endo -48.31 102.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.735 2.29 . . . . 0.0 113.354 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.52 70.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.826 177.256 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -88.29 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 109.169 170.405 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HD21 ' B' ' 409' ' ' LEU . . . -127.52 15.33 7.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.641 170.365 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.6 m-20 -79.44 80.01 5.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.129 -173.435 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -90.68 167.31 12.61 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.978 177.882 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -136.06 149.27 48.69 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.473 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -95.22 111.96 23.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.861 0.363 . . . . 0.0 110.598 -175.114 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 55.6 tptt -101.6 135.01 43.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -111.46 125.02 53.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.887 0.375 . . . . 0.0 110.289 174.215 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.59 144.9 34.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.655 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.402 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 p -100.36 125.36 54.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.129 0.49 . . . . 0.0 109.959 178.056 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.1 tp -108.97 109.44 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.697 178.572 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 72.83 -46.48 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.256 0.972 . . . . 0.0 112.589 177.797 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.84 -49.34 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.995 -1.097 . . . . 0.0 113.933 -174.275 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -95.34 141.13 29.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 117.79 0.795 . . . . 0.0 111.191 -177.138 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 50.9 mt-10 -75.4 131.28 40.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.353 179.541 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -121.75 145.47 28.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.715 -177.371 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.32 149.37 34.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.054 0.454 . . . . 0.0 110.036 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 173' ' ' MET . 12.2 tt -144.85 131.61 15.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 -176.37 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 43.1 m-20 -101.62 125.82 48.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.428 176.372 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.453 HD13 ' HB ' ' A' ' 17' ' ' VAL . 43.3 mm -107.64 112.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.629 -178.013 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 tp -96.77 104.29 16.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -178.99 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.95 99.94 12.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.843 176.932 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -86.06 167.24 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.673 -173.236 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.58 129.4 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.068 175.455 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.81 39.76 2.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.215 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -116.75 168.08 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.505 0.193 . . . . 0.0 110.95 -178.19 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HA ' HH21 ' A' ' 79' ' ' ARG . 21.3 mm-40 -70.14 -35.69 74.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.979 -172.462 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.8 m-20 -56.11 -75.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.314 0.578 . . . . 0.0 111.794 -178.609 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.406 ' HB3' HD12 ' A' ' 78' ' ' ILE . 98.0 m-85 -81.27 57.44 3.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.16 -175.159 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.88 -24.22 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.343 0.592 . . . . 0.0 110.225 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -67.16 -10.11 46.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.428 177.765 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 57.0 mt -94.18 -34.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.89 178.837 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.545 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 14.7 ptt180 -92.15 -64.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.384 177.514 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 3.8 m-20 -62.08 -51.43 67.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 111.411 -175.001 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.433 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 10.3 m120 -76.41 -15.3 59.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.554 -172.001 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -91.87 -12.52 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.068 -0.395 . . . . 0.0 111.792 178.888 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.83 -34.41 77.87 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.826 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -47.23 85.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.803 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.733 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 16.7 m -91.25 18.82 6.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -171.875 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 143.38 15.82 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.486 175.512 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.639 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -98.91 -38.77 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.616 0.708 . . . . 0.0 111.368 -179.345 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.91 125.57 8.39 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.013 -174.968 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CE2' ' HE3' ' A' ' 115' ' ' LYS . 97.9 m-85 -121.16 115.73 23.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.789 -179.028 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.8 mt -93.89 111.42 23.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.706 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 107' ' ' PHE . 31.6 tp -92.73 106.34 18.33 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.844 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' A' ' 126' ' ' VAL . 48.3 t -119.36 131.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -171.888 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.473 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 35.8 p90 -144.13 158.83 43.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.474 173.419 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.662 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 1.5 m -83.54 139.34 32.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.855 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.484 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -70.83 8.9 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.468 -178.408 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.4 p -106.56 -0.93 23.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.235 0.541 . . . . 0.0 110.344 173.018 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 94' ' ' SER . 33.8 mt-10 -108.35 101.55 10.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.191 179.557 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -79.58 -28.45 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.38 -48.04 76.98 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -61.41 -30.48 70.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 178.303 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 142' ' ' GLU . 43.5 t80 -66.92 -48.55 68.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.798 175.388 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -35.2 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.125 0.488 . . . . 0.0 110.825 178.998 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 -14.64 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.617 -175.811 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 51.9 p -53.45 -38.57 63.69 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.563 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.95 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.735 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.04 -41.85 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 -178.19 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 91' ' ' LEU . 35.6 m-85 -57.38 -47.22 82.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.628 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -56.85 -54.02 51.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.213 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.28 -39.95 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -176.615 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' A' ' 113' ' ' ARG . 7.4 tp-100 -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.722 -177.716 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.3 mt -65.59 -39.27 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.696 178.26 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.87 -26.13 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 110' ' ' GLN . 69.1 ttt180 -65.15 -36.78 85.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -178.742 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.8 m -90.51 -4.89 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.409 . . . . 0.0 111.33 -178.667 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.9 mttm -124.59 -106.65 0.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.392 -175.991 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.88 -46.7 0.51 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.237 1.015 . . . . 0.0 113.405 178.409 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.42 1.86 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.116 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.08 -163.46 1.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.483 178.525 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.79 -90.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.049 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 33.4 mmtp -143.81 148.24 35.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -175.987 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 33.5 mt -111.92 95.48 29.26 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -177.178 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.639 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 4.2 Cg_exo -78.16 129.82 9.86 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.422 2.748 . . . . 0.0 112.205 179.218 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 89' ' ' PHE . 35.6 mt -119.99 156.53 30.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.544 ' CD1' ' HG2' ' A' ' 153' ' ' GLN . 15.0 tp -150.49 122.29 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 171.085 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.3 t -96.77 122.2 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.014 0.435 . . . . 0.0 110.083 -178.21 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 92' ' ' VAL . 46.2 t -108.16 127.51 64.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.706 -176.635 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 90.65 1.56 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.711 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -88.96 168.94 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.702 -0.293 . . . . 0.0 110.451 -174.649 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 29.3 mmtp 72.47 15.12 5.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 178.715 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 156' ' ' GLU . 23.2 t -61.77 -9.41 6.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.417 0.627 . . . . 0.0 110.655 -179.518 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 158' ' ' SER . 34.2 t70 -63.12 -14.59 50.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.68 177.685 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.6 mt -75.05 -43.54 52.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.205 176.412 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 63.28 -77.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.747 0.819 . . . . 0.0 112.636 177.239 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.59 4.52 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.432 . . . . 0.0 110.978 -172.186 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 75.6 mtt180 -110.08 7.5 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.831 179.307 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -56.36 118.71 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.287 -177.23 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.669 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 51.8 tp60 -92.0 -29.73 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -177.222 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.8 p -109.25 113.75 58.41 Favored Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.568 ' HD2' ' OE2' ' A' ' 142' ' ' GLU . 74.6 Cg_exo -52.11 125.52 17.61 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.637 2.225 . . . . 0.0 111.243 174.372 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.686 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.6 t -54.15 -28.89 18.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.861 -178.018 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.29 -41.48 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.513 -178.565 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.568 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 42.8 mt-10 -57.88 -46.12 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.75 0.786 . . . . 0.0 110.207 178.06 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.38 60.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.436 -1.257 . . . . 0.0 112.106 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' HG12 ' A' ' 140' ' ' VAL . 20.1 mtp180 -63.39 -41.62 98.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.137 0.494 . . . . 0.0 110.462 178.576 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -58.57 -34.45 71.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 176.916 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 48.0 mmtm -69.84 -43.77 71.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.29 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.04 -40.62 77.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.615 -178.698 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.07 -42.79 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.749 -179.53 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.33 -34.11 76.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.747 -178.958 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -87.65 -16.78 33.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.043 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.27 38.07 22.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.266 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.0 m -128.64 177.26 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.472 . . . . 0.0 111.264 -178.595 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.544 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -96.14 147.59 23.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.708 176.257 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.521 ' HE2' HG13 ' A' ' 140' ' ' VAL . 66.2 t80 -132.67 113.57 13.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.073 0.463 . . . . 0.0 109.761 171.221 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 167' ' ' LYS . 2.5 p -137.38 147.59 26.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.399 178.364 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 130' ' ' SER . 43.0 mt-10 -84.81 138.07 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 111.13 -175.205 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.5 m -122.39 140.23 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.483 -178.969 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 131' ' ' ASP . 59.3 p -126.28 132.8 51.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.714 175.574 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.5 -41.17 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.901 0.382 . . . . 0.0 111.605 -174.238 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -67.94 -35.59 78.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.973 -174.561 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.84 -4.97 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.554 176.639 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.442 ' HG2' HE22 ' A' ' 33' ' ' GLN . 51.9 mtm180 52.04 80.64 0.09 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.379 0.671 . . . . 0.0 111.922 -177.274 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.57 122.89 14.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 178.094 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 70.6 22.18 5.14 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.805 0.69 . . . . 0.0 112.246 175.629 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 34.2 t -78.39 -21.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.601 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.95 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.311 -177.662 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HD3' HG11 ' A' ' 155' ' ' VAL . 3.4 ptpp? -58.07 -52.76 64.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.282 -0.872 . . . . 0.0 113.234 -171.892 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.432 HG11 HG13 ' A' ' 126' ' ' VAL . 27.3 m -48.29 -38.16 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.119 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -75.94 -55.44 5.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.09 177.251 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.419 ' HA ' ' SD ' ' A' ' 173' ' ' MET . 49.2 m-85 -61.91 -36.66 81.99 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.717 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.15 -46.88 88.73 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.642 0.258 . . . . 0.0 110.897 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -66.5 -37.27 84.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.325 0.583 . . . . 0.0 109.848 178.164 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.49 ' HG2' HD12 ' A' ' 64' ' ' ILE . 65.5 mtp -60.91 -31.31 70.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.342 178.864 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -70.81 -47.9 56.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.044 178.66 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.48 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -53.51 -36.29 61.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.402 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.671 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 80.3 mt -56.04 -37.9 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 178.514 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 181' ' ' MET . 93.1 mtt180 -71.07 -52.17 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.037 -178.249 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.7 m -57.36 -38.57 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.217 -177.006 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -65.21 -45.92 82.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 178.291 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.8 mmtp -67.64 -28.74 67.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.647 0.261 . . . . 0.0 111.317 -178.693 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.7 mtt . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.113 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.664 0.269 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 48.4 mt-30 -63.23 -34.93 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.108 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.73 76.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.565 177.287 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.67 -39.76 97.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.775 177.547 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.464 HD12 ' HB3' ' B' ' 442' ' ' LYS . 27.1 mm -58.99 -47.78 88.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.817 0.341 . . . . 0.0 110.26 174.869 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.5 mttt -63.94 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 -179.002 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.54 -33.91 77.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 175.684 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' B' ' 439' ' ' LEU . 45.2 mt-10 -75.36 -37.57 60.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.232 175.05 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' B' ' 439' ' ' LEU . 90.2 mt -56.11 -53.71 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.496 174.761 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -28.45 69.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 110.83 -178.886 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 404' ' ' ARG . 20.9 ttt180 -62.37 -45.31 93.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 175.777 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.2 mm-40 -73.29 -31.67 64.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.356 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.93 -41.14 91.14 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.222 176.816 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -64.26 -47.42 79.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.435 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.3 mt -61.62 -49.41 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 -179.179 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 48' ' ' ALA . 14.4 tp -62.15 -40.03 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.849 179.036 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.21 -49.31 72.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.114 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.3 t -61.81 -55.16 32.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 -178.999 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.606 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.6 mm? -57.0 -30.44 64.17 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.097 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.447 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 8.6 m-70 -70.63 -48.62 54.11 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 122.163 -0.336 . . . . 0.0 110.905 175.578 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.24 -52.48 22.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 0.0 111.706 -174.87 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.57 -33.06 72.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.978 -173.586 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' B' ' 425' ' ' LYS . 11.2 mp -81.95 -27.01 33.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.023 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 417' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 50.7 mt-30 -65.17 -23.78 67.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.739 0.304 . . . . 0.0 110.644 178.604 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.22 -21.57 78.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.517 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.11 -14.47 7.0 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.418 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.9 mt -79.51 116.04 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.283 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.572 ' HB2' ' NZ ' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -146.37 136.06 23.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.594 0.712 . . . . 0.0 111.067 -179.929 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.7 t70 -144.42 167.98 21.19 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -177.628 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 423' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.7 mm? -61.24 -39.53 90.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.815 0.34 . . . . 0.0 110.416 -178.971 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 428' ' ' ARG . 17.2 p -59.39 -37.83 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' B' ' 416' ' ' LEU . 44.3 mmtt -67.61 -46.16 73.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.245 0.545 . . . . 0.0 109.78 -176.273 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -67.8 -37.88 82.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.779 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 427' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 48.7 mt-10 -67.79 -45.92 73.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.213 175.687 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.699 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.4 mmt180 -60.45 -45.33 94.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.775 179.277 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.5 mt -56.32 -42.03 76.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.162 0.289 . . . . 0.0 111.53 -179.162 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.733 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 8.0 m95 -68.83 -32.67 72.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.404 177.84 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.942 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 49.5 mt-10 -68.63 -53.02 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.749 179.19 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.5 t -56.77 -34.54 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.379 179.779 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.499 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 0.5 OUTLIER -55.16 -57.39 11.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.396 -1.274 . . . . 0.0 109.577 176.131 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.942 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 18.7 mtp180 -55.44 -46.55 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.74 -179.246 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 432' ' ' VAL . 9.5 mt -67.12 -38.76 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.012 -176.935 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.74 -47.13 85.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -77.85 -34.59 51.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -176.698 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.42 -36.73 84.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.502 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 401' ' ' GLU . 0.2 OUTLIER -63.38 -40.34 96.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.822 177.52 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' B' ' 444' ' ' ARG . 94.4 mttt -61.31 -38.34 86.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.219 176.787 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 441' ' ' ARG . . . . . 0.517 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 1.0 OUTLIER -68.79 -42.66 77.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.775 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -57.48 -33.05 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.911 176.891 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 56.6 tp -68.54 -36.36 78.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.598 176.435 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 440' ' ' LYS . 68.3 mtp180 -82.46 -9.29 59.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -91.42 -16.14 27.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.237 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.629 -179.555 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.21 14.38 1.51 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.858 -1.064 . . . . 0.0 113.871 176.946 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 tp -149.21 128.59 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 111.082 -179.063 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -137.41 149.96 47.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.243 178.939 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 37.8 mmtt -123.54 127.51 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.335 177.307 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 172' ' ' LEU . 16.3 m -128.44 108.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.557 0.694 . . . . 0.0 109.784 174.279 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.12 122.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.723 -176.62 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 92.3 mmm -86.36 111.02 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.856 179.097 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 91' ' ' LEU . 26.6 m -94.87 168.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.498 -177.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.97 31.47 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.172 179.611 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -105.29 12.63 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.386 0.612 . . . . 0.0 109.915 -177.177 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.32 -61.83 0.31 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.853 -179.95 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.06 44.02 1.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.07 -175.769 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 93' ' ' PHE . 48.5 t -89.79 -21.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.298 0.57 . . . . 0.0 110.121 176.538 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.74 63.41 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.871 -177.782 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -121.48 -37.05 2.96 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -173.514 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -67.24 -26.64 66.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.865 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.75 -49.0 33.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.973 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.31 -33.13 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.916 -172.701 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.51 -45.09 88.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.988 0.423 . . . . 0.0 110.727 -179.63 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 40' ' ' VAL . 95.9 mt -64.54 -29.44 70.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.557 ' HB2' HG11 ' A' ' 165' ' ' VAL . 10.2 mm100 -66.83 -49.88 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.456 -178.761 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 89.6 t80 -69.11 -37.9 78.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.967 -179.222 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.3 mtm -74.61 -44.26 51.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.852 -175.802 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -110.23 -91.04 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.466 -176.474 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 171.59 -31.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.367 0.417 . . . . 0.0 110.472 -174.322 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.39 150.96 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -172.979 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -81.19 150.32 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.891 -178.012 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.0 p -64.71 118.45 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 111.297 -178.031 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.82 -49.51 4.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.441 178.12 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.39 108.72 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.514 178.239 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -158.26 106.11 1.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 110.855 -178.507 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.626 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 43.2 mt-10 -91.91 -53.99 0.27 Allowed Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.744 178.407 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 50.0 Cg_exo -53.47 106.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.752 2.301 . . . . 0.0 113.544 -175.182 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -153.42 35.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.229 172.014 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.79 -55.88 3.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.186 -178.135 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.07 27.35 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.368 177.753 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 12.2 m-20 -96.08 100.23 11.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.565 -172.694 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -106.84 148.65 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 171.596 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.471 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 68.6 m-85 -136.88 145.42 44.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.274 0.559 . . . . 0.0 111.765 -175.871 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -102.07 115.85 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.158 -175.068 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 64' ' ' ILE . 46.0 tptt -105.75 132.64 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.344 177.814 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.08 129.47 35.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.285 176.584 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.9 m -137.15 151.88 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.005 175.531 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.0 p -148.16 128.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.044 0.45 . . . . 0.0 110.455 176.934 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -115.37 95.96 5.42 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.445 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 45.1 29.81 0.54 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.252 0.97 . . . . 0.0 113.097 -179.71 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.53 -113.48 0.36 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.343 -1.408 . . . . 0.0 114.621 -175.388 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.4 pt-20 -90.9 146.03 24.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -171.188 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.75 108.39 5.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.37 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.7 t -106.68 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.223 -171.644 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -112.1 118.13 34.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 176.265 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.5 tt -104.5 117.76 50.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.396 176.457 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 21.9 t0 -94.52 124.71 38.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.907 -175.772 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -107.3 112.37 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -173.803 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.3 tp -101.53 113.32 26.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.031 178.704 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.54 85.72 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.404 0.621 . . . . 0.0 110.088 178.311 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 79' ' ' ARG . 25.7 m -62.94 142.74 58.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.588 -176.388 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 131.07 34.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.042 174.144 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.21 64.88 1.94 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.63 -176.548 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -143.71 153.2 42.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -75.65 -12.71 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.501 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -56.67 -71.6 0.09 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.469 0.652 . . . . 0.0 110.446 176.038 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.629 ' H ' HD13 ' A' ' 72' ' ' LEU . 95.2 m-85 -89.65 64.8 6.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.703 -178.228 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.64 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.042 177.611 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.14 -6.56 46.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.768 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.901 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 70.3 mt -109.13 -31.56 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.925 0.393 . . . . 0.0 110.403 178.193 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HA ' ' CG2' ' A' ' 69' ' ' THR . 56.6 ttp180 -92.86 -65.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 111.269 179.864 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.85 -53.71 9.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.564 0.697 . . . . 0.0 110.924 -173.012 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.725 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 14.4 m120 -76.75 -16.97 59.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.683 -170.759 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.901 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -84.59 -14.07 49.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -174.282 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 114' ' ' VAL . 18.1 m-30 -75.07 22.65 0.11 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.93 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 23.9 mmt180 -75.47 -82.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 179.484 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 m -80.19 44.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 112.055 -173.603 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.61 119.25 2.83 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 176.768 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.1 pm0 -90.3 -41.46 11.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.711 0.255 . . . . 0.0 110.781 -179.03 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 87' ' ' GLU . . . -93.9 131.69 10.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.151 -175.031 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -131.18 132.64 44.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.89 0.376 . . . . 0.0 111.409 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 109.64 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 176.807 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.509 HD23 HG21 ' A' ' 20' ' ' VAL . 73.9 mt -84.96 106.67 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.71 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.5 m -110.04 133.41 55.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.968 0.413 . . . . 0.0 111.24 -176.811 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' HA ' HG11 ' A' ' 25' ' ' VAL . 28.0 p90 -143.31 158.42 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.968 176.102 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 p -97.15 129.88 44.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 177.696 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.42 20.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -174.161 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 135' ' ' ARG . 33.5 p -116.5 -31.76 5.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 174.433 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.3 109.67 20.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.704 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -56.78 -44.81 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.627 -175.349 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -14.67 61.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -173.091 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.9 m -72.57 -32.23 65.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.898 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.13 -39.33 60.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.992 174.511 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 m -63.82 -32.08 73.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 176.907 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.32 61.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -175.99 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.5 p -55.14 -41.59 71.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.545 -178.096 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.26 80.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.47 -44.61 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.05 179.052 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.8 m-85 -58.19 -44.72 88.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.111 0.481 . . . . 0.0 109.931 175.962 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -55.52 -53.41 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.068 -178.472 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -64.28 -36.18 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.26 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -59.47 -26.94 65.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.398 178.349 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -79.05 -46.0 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.458 178.033 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.24 -44.77 28.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.846 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -57.89 -33.87 69.2 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.695 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.2 m -85.07 -1.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.617 -177.402 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.7 mtmm -141.24 -85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.916 -178.676 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.32 -62.33 0.32 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.724 0.809 . . . . 0.0 112.858 177.452 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -84.04 31.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.66 0.384 . . . . 0.0 111.672 -172.995 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.579 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 13.4 mm-40 -87.64 -166.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.751 178.199 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.63 -82.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 174.726 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.975 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 31.9 mmmt -149.17 128.28 12.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.499 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 54.3 mt -101.92 110.5 62.38 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.696 0.284 . . . . 0.0 110.841 -178.105 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.603 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.1 Cg_endo -88.02 126.29 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.303 2.669 . . . . 0.0 112.141 177.436 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.8 141.44 48.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.599 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.6 tp -133.42 121.55 22.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.971 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.3 t -89.54 123.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.8 179.874 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.718 ' HB ' HG12 ' A' ' 92' ' ' VAL . 60.8 t -119.08 123.85 72.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 -177.312 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.18 126.78 8.81 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.298 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 4.8 p30 -113.48 165.95 11.98 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.2 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.543 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 35.7 mmtm 73.39 13.94 4.51 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.886 0.741 . . . . 0.0 110.297 -174.595 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 m -68.98 -4.6 17.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.231 0.539 . . . . 0.0 110.519 179.034 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.187 175.334 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.528 ' CD1' HG21 ' A' ' 96' ' ' THR . 84.8 mt -69.41 -61.45 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.655 -179.344 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 65.46 -69.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.765 0.665 . . . . 0.0 111.409 -178.099 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.902 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 8.0 pt-20 -59.96 -29.99 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 0.0 110.979 -178.784 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.902 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.4 mtt180 -102.15 12.93 36.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.316 -173.661 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm105 -61.28 112.95 2.35 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.668 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 96' ' ' THR . 78.8 mt-30 -92.19 -26.04 18.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.361 -174.099 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.9 116.6 56.94 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.103 174.083 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.94 113.48 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.782 2.321 . . . . 0.0 111.385 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.22 -4.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -171.229 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.86 -50.78 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.347 179.182 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.84 -27.35 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 178.5 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.8 88.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 0.0 110.428 177.873 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -68.15 -36.76 80.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.35 175.282 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -62.49 -33.48 74.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.074 178.386 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.9 mmtt -63.67 -30.79 71.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.55 178.767 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.1 -45.78 91.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.043 0.449 . . . . 0.0 110.213 176.151 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.34 -34.78 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.402 179.07 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -37.24 80.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.974 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -97.21 -5.92 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -176.503 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.48 34.38 40.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.428 179.386 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.66 -172.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.29 . . . . 0.0 110.784 -178.871 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.5 pm0 -114.08 151.99 31.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.528 174.834 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 57.9 t80 -123.03 122.03 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.078 176.939 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.19 133.4 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.269 -179.583 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -92.98 129.72 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 0.0 110.404 176.817 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -112.76 134.93 54.03 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.866 -178.7 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.7 m -107.8 124.74 50.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.952 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.27 -8.77 23.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 -176.308 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -76.57 -47.61 21.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.019 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.2 t -99.83 -5.53 28.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.524 178.326 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 60.74 80.61 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.072 -179.229 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.37 136.96 38.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -177.647 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 69.13 4.55 4.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.095 0.872 . . . . 0.0 111.809 177.559 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.0 t -69.34 -46.14 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.128 -175.9 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.514 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 4.0 m-20 -70.12 -42.41 72.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -177.716 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.31 -44.84 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.269 -170.566 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.4 m -57.39 -33.41 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.041 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.18 -43.84 69.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.722 0.296 . . . . 0.0 110.336 177.592 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -66.89 -41.49 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.859 178.749 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.29 -51.38 69.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.935 179.248 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 17' ' ' VAL . 39.3 tp -66.52 -35.72 80.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -178.108 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 64' ' ' ILE . 60.3 mtm -63.51 -33.35 75.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.164 178.452 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.549 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 21.2 mmt180 -64.77 -37.25 86.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.675 0.274 . . . . 0.0 110.662 177.639 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.475 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 15.1 mt-10 -69.79 -40.9 75.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.721 0.296 . . . . 0.0 110.515 176.197 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.494 HG23 ' HG3' ' A' ' 87' ' ' GLU . 76.1 mt -55.75 -38.85 52.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.463 -178.586 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 16.4 ptt180 -68.73 -45.68 70.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.903 -177.537 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 177' ' ' ARG . 26.3 m -64.29 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.464 -179.674 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.975 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.5 mptt -58.24 -57.34 13.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.659 178.317 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -76.41 -33.79 58.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -174.874 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.3 mtt . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.298 177.316 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.538 ' O ' HG12 ' B' ' 398' ' ' ILE . 16.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.18 -27.78 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.998 -178.384 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -55.49 -53.7 53.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.267 174.824 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.7 90.62 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 394' ' ' THR . 13.7 mm -58.89 -54.2 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.041 176.707 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.29 -37.61 78.14 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.909 -177.876 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 41.1 mm-40 -58.19 -47.74 82.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 178.973 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.654 ' HB3' HD21 ' B' ' 439' ' ' LEU . 48.0 mm-40 -71.67 -36.84 70.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.579 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.578 ' HA ' HD23 ' B' ' 439' ' ' LEU . 77.8 mt -53.94 -54.04 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.944 179.703 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 403' ' ' ARG . 11.2 ptp85 -69.78 -28.55 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.398 -178.412 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 74.3 ttt180 -59.02 -52.14 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.852 175.167 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.6 mm-40 -73.73 -27.59 61.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 39.4 mt-10 -59.09 -50.01 75.68 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.259 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.34 -44.57 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.726 178.71 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 412' ' ' LEU . 69.3 mt -61.85 -51.48 68.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.691 -179.058 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.509 ' HG ' ' CE1' ' B' ' 413' ' ' HIS . 36.2 tp -64.56 -35.41 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.836 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -65.12 -41.67 94.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.549 178.655 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -59.77 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.679 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -58.73 -37.83 77.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 175.268 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.509 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 33.0 m170 -62.6 -45.11 94.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.232 177.816 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -77.39 -33.9 55.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.521 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -56.81 -51.86 67.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 53.0 mt -71.84 -26.79 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.228 -177.159 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.47 -17.4 62.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.384 179.39 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -86.19 17.15 39.39 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.674 179.659 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.87 20.22 76.47 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.653 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 40.0 mt -120.15 142.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' B' ' 416' ' ' LEU . 60.1 pttt -149.13 150.63 33.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.345 0.593 . . . . 0.0 111.288 174.32 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.621 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.5 t70 -146.7 160.19 42.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.434 179.798 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.17 -36.14 83.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.358 . . . . 0.0 110.993 -176.004 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 34.8 t -64.52 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.117 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.621 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.8 mmtt -64.21 -52.02 60.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.654 0.74 . . . . 0.0 109.698 -179.715 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.92 -46.0 92.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.128 -1.397 . . . . 0.0 110.985 -175.523 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.24 -48.34 80.38 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.385 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.599 ' O ' HG12 ' B' ' 432' ' ' VAL . 16.3 mmt180 -60.75 -37.04 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.61 178.897 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' B' ' 429' ' ' LEU . 11.2 mt -55.7 -56.2 23.28 Favored 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 123.122 0.264 . . . . 0.0 111.443 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.478 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 78.2 m95 -66.0 -30.39 70.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.578 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 34.4 tt0 -71.67 -56.75 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.935 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.6 p -63.58 -32.79 58.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.122 0.487 . . . . 0.0 110.215 -179.275 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -55.74 -50.95 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.623 175.61 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.578 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 0.8 OUTLIER -67.58 -26.63 66.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.714 -176.887 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.0 mt -75.63 -46.14 37.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.459 176.519 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.52 HD11 ' HE3' ' B' ' 440' ' ' LYS . 3.1 tm? -57.11 -42.63 81.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.156 177.363 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.429 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.6 t -72.63 -34.85 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.311 -178.073 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.41 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.313 0.578 . . . . 0.0 109.762 176.884 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' B' ' 401' ' ' GLU . 2.2 mp -63.22 -44.05 96.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.472 177.607 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' B' ' 436' ' ' LEU . 83.4 mttt -63.43 -34.31 77.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.511 178.286 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.06 -47.06 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 177.083 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -63.27 -31.44 72.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 179.894 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.11 -49.83 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.006 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 444' ' ' ARG . . . . . 0.851 ' HE ' ' HA ' ' B' ' 444' ' ' ARG . 2.8 mmp_? -84.02 -1.89 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.937 0.398 . . . . 0.0 112.047 178.539 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -80.28 -22.76 41.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.777 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.403 178.486 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 180' ' ' LYS . 1.3 pt? . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 1.59 36.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.075 0.941 . . . . 0.0 109.905 175.464 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' ' 16' ' ' LYS . 2.4 pt? -144.28 148.03 34.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.336 175.108 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 176' ' ' ILE . 57.3 m-70 -136.37 136.32 39.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -172.074 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -114.56 115.81 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 176.994 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.22 112.48 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.151 177.917 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 89' ' ' PHE . 56.7 mt -90.87 123.91 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -176.174 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmt -77.28 107.65 9.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.876 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 91' ' ' LEU . 51.4 t -95.0 133.16 36.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.982 0.42 . . . . 0.0 111.266 -172.714 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.04 160.35 27.35 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.714 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -64.85 -40.68 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.297 178.527 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' HA2' ' CA ' ' A' ' 71' ' ' GLY . . . -132.23 -70.04 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.654 175.386 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 69.57 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.253 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 94' ' ' SER . 44.8 t -44.47 -55.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.167 0.587 . . . . 0.0 112.174 -178.918 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.627 ' HA3' ' ND2' ' A' ' 128' ' ' ASN . . . -152.2 16.97 0.79 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.201 177.831 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HE2' ' OD2' ' A' ' 68' ' ' ASP . 19.8 ptmt -63.26 -43.96 96.51 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.964 -0.139 . . . . 0.0 111.259 -176.904 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -65.95 -30.85 71.49 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -177.762 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.99 -47.06 54.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.104 0.478 . . . . 0.0 110.854 178.49 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.14 -39.34 89.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.469 -177.071 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -67.26 -32.08 72.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.668 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.38 -41.93 88.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.033 175.987 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.562 ' HB2' HG11 ' A' ' 165' ' ' VAL . 88.0 mt-30 -76.03 -15.43 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.654 -177.887 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -72.38 -27.19 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 110.529 175.632 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -107.41 -51.39 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.185 -178.058 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.91 -28.5 15.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.234 -175.326 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.7 t0 62.63 31.14 16.94 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.041 0.924 . . . . 0.0 109.725 -176.576 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 40.9 mt-10 -117.92 156.98 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.554 178.517 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -85.16 150.51 24.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.67 107.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.533 0.682 . . . . 0.0 112.168 -174.275 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.74 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.591 172.381 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.99 121.28 13.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.786 177.345 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -163.64 93.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.246 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.9 tp10 -93.41 -39.37 0.33 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.816 178.85 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 66.2 Cg_exo -40.22 136.95 1.5 Allowed 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 122.26 1.973 . . . . 0.0 111.711 171.4 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' PRO . 2.9 t 171.24 -10.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.601 -166.734 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' O ' HD13 ' A' ' 78' ' ' ILE . 21.8 mtpp -72.63 -58.95 2.97 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 -171.529 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' B' ' 409' ' ' LEU . . . -126.41 11.51 7.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.741 0.781 . . . . 0.0 109.43 174.889 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -78.31 125.95 30.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.895 -175.876 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 70.1 m -152.67 163.46 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -177.856 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -133.96 139.0 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 0.0 111.803 -171.198 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -95.97 107.01 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.119 170.848 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -97.82 128.62 44.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 36.4 ttpt -107.5 126.85 53.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.282 0.563 . . . . 0.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 m -129.03 143.88 39.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.255 178.33 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 13.9 p -92.08 119.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.573 0.701 . . . . 0.0 110.997 -175.266 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' HG21 ' A' ' 62' ' ' VAL . 53.8 mt -113.81 106.63 14.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.544 179.612 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 73.89 7.96 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.783 172.546 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.46 -32.31 2.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.38 175.748 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.38 140.65 37.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.723 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 54' ' ' LYS . 65.8 mt-10 -76.76 116.56 17.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.476 0.655 . . . . 0.0 109.777 178.053 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 t -107.24 154.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.337 -171.679 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 39.2 mt-30 -112.38 135.52 52.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.048 0.451 . . . . 0.0 111.985 -170.998 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -125.21 127.74 72.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.36 0.6 . . . . 0.0 109.499 171.892 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 23.2 t0 -101.87 120.56 40.58 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.212 -173.513 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 50' ' ' SER . 36.3 mm -109.12 113.64 44.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.889 -174.867 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' OG ' ' A' ' 50' ' ' SER . 44.3 tp -101.08 127.34 47.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 8.4 t70 -98.98 -177.54 3.66 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.641 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -148.57 141.16 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.102 0.41 . . . . 0.0 112.076 -171.444 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.12 126.0 30.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.323 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.439 ' CA ' ' HA2' ' A' ' 23' ' ' GLY . . . -79.18 62.02 4.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.155 -174.971 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -160.61 156.68 26.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.784 0.326 . . . . 0.0 111.136 -179.679 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.97 -12.06 55.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.615 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.474 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.6 m-20 -53.94 -52.39 60.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.449 0.642 . . . . 0.0 110.447 178.326 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.448 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.9 m-85 -104.07 65.37 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.616 176.576 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.77 -25.42 60.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.206 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.994 ' HA ' ' HB3' ' A' ' 81' ' ' ASN . . . -67.17 -5.85 15.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.15 179.26 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 ' O ' ' A' ' 47' ' ' LYS . 51.4 mt -96.92 -43.03 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.981 179.171 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -93.84 -66.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.565 0.697 . . . . 0.0 110.917 177.989 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.44 -55.99 5.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.582 -168.086 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.994 ' HB3' ' HA ' ' A' ' 77' ' ' ALA . 8.5 t-20 -71.41 -16.14 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.665 -173.115 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -82.0 -20.16 38.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.838 -178.633 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' HB2' HG21 ' A' ' 114' ' ' VAL . 21.5 m-85 -70.09 81.43 0.5 Allowed 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.988 0.423 . . . . 0.0 110.366 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 19.8 mmm180 -145.04 -79.45 0.18 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 179.628 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 m -72.38 -5.0 33.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.867 -176.673 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.46 136.61 15.23 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.436 175.865 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 35.8 tt0 -93.84 -62.49 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 -177.521 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.509 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.8 141.46 18.67 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.533 -175.939 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 18' ' ' ILE . 98.5 m-85 -125.62 127.28 46.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 110.977 179.05 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -103.08 109.68 21.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 20' ' ' VAL . 52.8 mt -91.24 107.82 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.026 -177.458 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.752 HG12 ' HB ' ' A' ' 126' ' ' VAL . 31.5 m -101.91 141.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.0 111.953 -176.033 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -150.6 175.58 11.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.511 174.778 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.45 ' HB2' HG11 ' A' ' 25' ' ' VAL . 47.2 t -118.01 143.84 46.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.319 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.64 -0.84 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.968 179.881 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD13 ' A' ' 132' ' ' LEU . 43.1 p -111.17 -7.68 14.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 174.028 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.26 91.32 3.57 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.937 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -69.38 -22.18 63.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.25 -177.265 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.6 -52.77 64.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.882 177.798 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 66.9 m -71.73 -25.77 62.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.839 178.584 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.44 -45.14 95.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.821 0.343 . . . . 0.0 110.234 176.308 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.231 0.539 . . . . 0.0 110.3 177.111 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.07 -15.31 63.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.117 -177.499 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 45.2 p -58.24 -36.99 74.02 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 178.429 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.39 88.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.265 177.005 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 9.8 tp10 -64.12 -37.44 87.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.948 178.823 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -62.89 -49.21 75.71 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.274 175.522 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -56.48 -50.8 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.131 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.7 -28.76 68.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.821 -178.861 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.8 tp-100 -63.86 -41.3 97.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 178.212 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 107' ' ' PHE . 68.2 mt -61.34 -43.68 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.988 179.555 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -73.23 -21.36 60.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.948 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -78.92 -26.98 43.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 -177.672 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.1 m -107.88 -24.06 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.678 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 25.0 mtpp -110.03 -88.77 0.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.245 -179.406 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.02 -60.93 0.29 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.1 46.03 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.027 0.442 . . . . 0.0 111.591 -173.979 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 5.6 mm-40 -102.87 -162.4 0.91 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.856 -176.905 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.07 -69.61 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.52 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -144.95 129.3 17.82 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.214 177.654 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 111' ' ' ILE . 68.9 mt -105.69 107.3 59.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 87.2 Cg_endo -90.82 127.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.19 2.593 . . . . 0.0 112.771 176.104 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.7 122.59 42.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.486 -179.231 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 153' ' ' GLN . 10.8 tp -114.2 120.55 40.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.071 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.14 122.41 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.482 -176.837 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.752 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.3 t -108.65 109.86 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.538 -176.948 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.88 112.36 3.7 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.038 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.627 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 64.0 t30 -100.98 172.69 6.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.971 0.385 . . . . 0.0 110.335 -176.027 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 71.09 21.04 4.99 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.664 0.602 . . . . 0.0 111.367 175.337 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.5 m -62.19 -7.7 4.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -179.314 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.02 -18.44 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.879 177.828 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 96' ' ' THR . 72.3 mt -70.33 -73.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.69 -174.709 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 67.18 -65.74 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.458 0.703 . . . . 0.0 111.962 -177.828 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.898 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.4 pt-20 -59.31 -30.79 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.525 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.898 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 84.5 mtt180 -106.41 14.72 26.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.13 -173.69 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -55.24 121.28 8.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 -177.319 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -97.22 -28.34 14.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.02 123.85 27.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.731 176.773 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.1 119.12 5.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.64 2.226 . . . . 0.0 111.234 176.483 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.676 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.4 p -74.22 -13.72 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.702 -173.936 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.09 -49.73 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.23 -20.9 60.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 110.477 178.115 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.87 -33.55 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.122 0.487 . . . . 0.0 110.139 175.845 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 67.7 mtp180 -68.51 -31.89 71.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.364 0.602 . . . . 0.0 109.391 173.348 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 23.0 t -71.91 -36.12 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.098 -176.515 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -52.92 -52.07 59.07 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.533 176.481 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -60.55 -39.1 86.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.99 177.905 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.03 -37.39 87.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.414 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 43.8 mt-10 -64.66 -35.64 81.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.391 . . . . 0.0 110.954 177.416 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -84.55 -4.76 59.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -177.296 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.29 27.92 65.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.434 HG23 ' HB1' ' A' ' 147' ' ' ALA . 32.9 m -120.79 179.9 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 -178.989 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.626 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -101.58 153.59 19.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.466 172.911 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.509 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 52.4 t80 -117.57 120.03 36.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 47.0 t -115.24 125.78 72.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.551 -179.748 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -89.55 126.91 35.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.108 177.456 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.5 p -114.15 129.05 56.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.482 0.658 . . . . 0.0 111.303 -175.231 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.0 m -109.14 127.13 53.92 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.494 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -106.78 -25.18 11.83 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.456 -172.726 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.36 -40.46 23.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.072 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.0 p -90.54 -13.1 35.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.494 176.733 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 61.1 87.61 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.395 179.555 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.22 128.21 12.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.903 -178.936 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 66.87 18.57 10.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.747 0.655 . . . . 0.0 111.936 175.478 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 33' ' ' GLN . 85.4 t -66.87 -50.08 68.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -178.123 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -76.24 -18.35 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -178.388 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.26 -48.54 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.451 -175.226 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 30.6 m -62.47 -30.95 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.279 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.6 -51.05 15.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.147 -177.868 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 170' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 49.4 m-85 -68.71 -34.4 75.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.146 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.05 -52.3 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.194 -177.118 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.06 -26.63 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.271 0.558 . . . . 0.0 109.918 -179.512 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.418 ' SD ' HD11 ' A' ' 57' ' ' LEU . 7.9 ttm -63.3 -39.81 95.61 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.134 176.869 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 9.1 mmm180 -69.42 -34.35 74.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.388 -176.586 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.4 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 0.0 110.967 177.591 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 15' ' ' HIS . 74.3 mt -63.64 -25.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 111.132 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -59.86 -49.59 77.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.542 179.167 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 4.5 m -59.34 -36.46 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.272 -175.965 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.447 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.6 -51.65 66.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 180' ' ' LYS . 12.7 mmtp -74.47 -19.69 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.662 -175.42 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.963 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.518 ' O ' HG12 ' B' ' 398' ' ' ILE . 3.6 m . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.638 0.256 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.07 -27.58 68.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.792 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -64.32 -49.53 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.122 177.45 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 397' ' ' GLY . . . . . 0.401 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -61.72 -36.73 93.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.699 176.393 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.518 ' O ' HG13 ' B' ' 402' ' ' ILE . 43.5 mm -60.83 -47.93 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.198 . . . . 0.0 110.557 176.347 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -59.68 -33.97 72.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.593 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.1 mt-10 -60.61 -47.35 86.6 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.025 0.441 . . . . 0.0 110.243 176.624 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 19.6 mt-10 -73.25 -35.53 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.976 -178.107 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.578 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.9 mt -56.71 -53.7 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.502 174.549 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.49 -29.42 70.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 -179.021 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.0 ttm180 -60.19 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.254 174.946 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.493 ' HB2' HD23 ' B' ' 436' ' ' LEU . 69.8 mm-40 -72.85 -37.61 67.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.487 -177.567 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 82.7 mt-10 -60.84 -37.65 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.374 179.026 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.85 -47.5 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.806 175.959 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.7 mt -61.5 -46.5 89.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 -179.768 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' B' ' 413' ' ' HIS . 18.7 tp -61.67 -45.83 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 178.635 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -57.38 -44.51 84.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.937 179.003 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.9 t -60.14 -55.21 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.414 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -53.97 -39.87 66.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 111.136 177.58 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 413' ' ' HIS . . . . . 0.534 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 22.1 m170 -65.14 -48.31 74.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.832 178.381 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -68.69 -44.21 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.243 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.08 -33.99 72.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.955 0.407 . . . . 0.0 111.613 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.4 mp -66.03 -29.37 69.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.8 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.27 -9.51 56.18 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.973 179.411 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.85 3.69 63.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.115 176.938 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.82 68.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.111 178.256 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.18 119.44 33.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.885 0.374 . . . . 0.0 110.682 -177.895 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -133.42 134.18 43.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 172.405 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.679 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.4 t70 -148.22 162.34 39.67 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.889 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.13 -27.1 69.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.376 0.607 . . . . 0.0 109.618 177.626 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 11.4 m -73.53 -36.14 65.64 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.035 -178.593 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' B' ' 416' ' ' LEU . 0.1 OUTLIER -70.08 -36.39 74.88 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.695 -173.123 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.567 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.5 pt-20 -73.76 -44.84 54.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.468 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.43 -35.19 80.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.94 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.645 ' O ' HG23 ' B' ' 432' ' ' VAL . 22.7 mmt180 -64.14 -44.62 91.59 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.498 175.605 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 10.9 mt -56.5 -53.87 52.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.704 -179.231 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 86.7 m95 -62.86 -31.4 72.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.044 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.29 -54.04 20.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.392 174.683 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 428' ' ' ARG . 21.3 t -56.82 -36.05 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 109.37 178.345 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -56.75 -55.29 36.05 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.475 179.15 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.693 ' HD3' HG13 ' B' ' 435' ' ' ILE . 0.0 OUTLIER -68.78 -26.31 65.14 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.441 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.693 HG13 ' HD3' ' B' ' 434' ' ' ARG . 22.1 mt -72.33 -44.15 63.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 110.058 176.001 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -63.49 -44.22 95.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.477 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.658 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.2 t -69.68 -30.86 68.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.011 0.434 . . . . 0.0 110.077 -178.978 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.693 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.86 -43.69 82.92 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.716 173.757 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 0.872 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.444 -178.996 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -58.9 -39.3 81.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.682 0.753 . . . . 0.0 109.793 175.925 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -65.62 -40.72 92.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.962 178.026 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' B' ' 439' ' ' LEU . 24.3 mtpp -61.44 -32.4 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.331 176.678 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.494 ' HA ' HG21 ' B' ' 398' ' ' ILE . 44.8 tp -59.57 -44.93 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.716 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -83.74 -2.89 57.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 176.662 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' B' B ' 445' ' ' GLU . . . . . 0.663 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 30.5 tt0 -82.2 -31.77 30.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 178.328 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.086 -178.176 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.84 8.8 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.468 0.651 . . . . 0.0 110.488 178.361 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -139.24 128.92 24.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.977 177.87 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -136.93 152.62 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.107 0.48 . . . . 0.0 111.891 -176.822 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 23.1 mmtp -122.41 112.52 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.396 178.047 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -121.5 129.79 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.731 -176.596 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE2' ' A' ' 89' ' ' PHE . 51.0 mt -107.45 127.91 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.95 -178.046 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.657 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 19.0 mmt -78.58 111.66 14.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.414 173.616 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 HD23 ' A' ' 91' ' ' LEU . 16.9 m -115.34 138.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.114 0.483 . . . . 0.0 111.07 -178.493 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.3 158.14 12.78 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.703 -179.163 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -84.14 122.39 28.77 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.843 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 -93.33 1.3 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.453 -175.693 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' HA2' ' CD ' ' A' ' 27' ' ' LYS . . . 162.01 65.92 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.52 176.511 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.08 -68.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.722 -179.277 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.68 14.11 4.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.395 -179.094 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.863 ' HB3' HG21 ' A' ' 92' ' ' VAL . 11.9 ptmm? -72.41 -11.03 60.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.32 . . . . 0.0 111.491 -175.422 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -109.9 -30.03 8.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 176.796 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.44 -55.08 7.59 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.28 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.6 -31.81 72.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.057 0.456 . . . . 0.0 111.347 -174.745 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.547 HG21 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -64.37 -39.76 94.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.01 -174.349 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.857 HD12 ' HB ' ' A' ' 40' ' ' VAL . 73.3 mt -66.35 -23.16 66.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.653 0.263 . . . . 0.0 111.364 -178.594 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -71.27 -44.2 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.155 0.502 . . . . 0.0 109.915 175.432 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.22 -38.05 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp -70.85 -57.66 4.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.246 -178.878 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 98.7 m-85 -106.06 -80.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -176.993 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.4 t70 157.59 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.297 0.998 . . . . 0.0 108.946 -172.323 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -95.49 153.89 17.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.025 -172.124 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -83.18 150.5 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.242 -175.181 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.857 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.4 p -67.68 123.02 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -92.97 -42.85 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.609 176.364 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.58 137.04 8.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.536 172.341 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.38 94.17 0.97 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.645 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.5 mt-10 -74.45 -58.78 1.75 Allowed Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.06 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.3 Cg_exo -58.84 -91.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.456 2.104 . . . . 0.0 114.036 -170.217 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 40.4 p 50.19 32.39 5.99 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.143 0.577 . . . . 0.0 111.441 -174.235 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 70' ' ' ALA . 37.7 mtmt -87.24 -50.77 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.778 177.02 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.07 27.59 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.228 178.923 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 22.0 m-20 -89.63 111.46 22.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.3 0.571 . . . . 0.0 110.963 -177.424 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' B' ' 433' ' ' GLN . 41.9 t -122.45 140.76 52.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.688 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -135.24 132.7 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.789 0.328 . . . . 0.0 110.292 -177.529 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -95.12 127.58 41.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.75 179.533 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -117.18 133.7 55.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.759 -177.52 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -101.31 122.76 44.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.542 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 53' ' ' LYS . 20.3 m -132.66 144.7 35.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.107 177.483 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.3 p -116.56 103.18 14.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.539 0.685 . . . . 0.0 109.76 177.043 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 ' HE ' ' A' ' 174' ' ' ARG . 2.5 pt? -96.46 98.37 10.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.577 0.703 . . . . 0.0 110.435 -177.968 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 61.19 15.64 6.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.098 174.199 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.37 -85.33 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 118.394 -1.86 . . . . 0.0 115.593 -176.426 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' CD ' HH12 ' A' ' 177' ' ' ARG . 8.3 pt-20 -100.61 148.64 24.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 111.595 -168.595 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.45 105.85 5.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.47 174.57 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 13' ' ' ALA . 8.2 t -106.17 136.17 41.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.593 -175.81 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -113.18 123.79 51.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 -176.848 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 173' ' ' MET . 10.2 tt -122.65 120.07 59.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.836 -175.979 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.3 m-20 -88.3 120.56 29.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.386 176.934 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.547 HG21 HG21 ' A' ' 31' ' ' THR . 47.5 mm -107.15 120.83 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.669 0.271 . . . . 0.0 110.517 -179.334 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.26 115.41 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.428 176.993 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 33.1 t0 -98.95 105.87 18.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.029 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -85.57 152.91 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.266 -174.959 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 47' ' ' LYS . . . -73.89 118.89 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.04 173.146 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.62 62.85 3.47 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.763 -178.224 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -138.62 -172.34 3.28 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.239 0.215 . . . . 0.0 110.623 179.997 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -100.07 -22.69 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.189 0.519 . . . . 0.0 111.036 -176.861 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.52 -65.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.594 -174.181 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.404 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 90.6 m-85 -82.54 67.79 8.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 -172.787 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.87 -23.83 65.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.19 179.217 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.56 -29.47 70.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.987 178.838 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 9.8 mt -89.43 -25.01 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.985 -179.137 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -92.04 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.384 -176.072 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.66 -44.94 39.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.901 -173.264 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.571 HD22 ' HA ' ' A' ' 77' ' ' ALA . 93.3 m-20 -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.248 -170.269 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' OH ' HD11 ' B' ' 409' ' ' LEU . 25.9 m-85 -83.1 -11.34 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.491 174.711 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -76.27 77.8 3.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 179.161 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 31.3 ttt-85 -162.66 -62.15 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.023 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -67.3 -23.43 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.559 178.825 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.53 124.02 17.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.831 177.818 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 25.0 mt-10 -85.3 -64.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.144 0.497 . . . . 0.0 110.333 -176.785 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.74 150.57 18.79 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.672 -175.661 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 115' ' ' LYS . 87.9 m-85 -129.13 128.31 43.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 0.0 110.695 -178.961 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.62 110.66 23.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 176.764 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.714 HD12 HG22 ' A' ' 125' ' ' VAL . 78.3 mt -81.92 107.42 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.356 179.27 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.863 HG21 ' HB3' ' A' ' 27' ' ' LYS . 27.2 m -98.23 120.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.557 0.694 . . . . 0.0 111.408 -176.308 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.7 p90 -151.3 166.37 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.974 176.691 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.79 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 12.6 t -118.68 146.49 44.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.931 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.81 -2.04 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.731 -176.752 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.457 ' CG2' HD22 ' A' ' 132' ' ' LEU . 18.8 p -94.28 -28.27 15.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.878 0.371 . . . . 0.0 110.284 171.26 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.1 mm-40 -90.67 95.56 10.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.858 -177.519 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -67.97 -29.53 68.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.571 -176.863 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.78 -39.7 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.33 . . . . 0.0 110.344 179.09 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 93' ' ' PHE . 17.0 m -62.91 -37.54 87.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.377 178.33 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.41 -42.99 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.809 179.856 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.9 m -69.29 -34.15 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 111.253 -179.946 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.94 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.695 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.534 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 67.7 p -61.02 -28.89 69.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -177.63 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.11 80.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.729 -178.696 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.93 -42.36 94.76 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.703 -179.636 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 13.0 m-85 -60.48 -50.58 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.863 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -51.28 -58.41 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.447 -178.532 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.84 -30.35 69.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.462 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.63 -32.67 68.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.014 0.435 . . . . 0.0 110.242 -179.678 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.1 mt -65.76 -47.81 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.782 177.865 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.82 -19.47 65.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.743 -179.321 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -71.06 -41.93 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.637 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.5 m -101.23 -19.97 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.554 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 114' ' ' VAL . 24.5 mtpp -119.4 111.25 17.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.683 0.277 . . . . 0.0 111.432 -175.929 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.51 20.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 110.476 172.82 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CD ' HH21 ' A' ' 84' ' ' ARG . 28.4 mt-10 -105.15 -0.06 26.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.999 -174.475 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 5.3 pt-20 -111.46 -170.82 1.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.477 -169.975 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.45 -75.37 0.05 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.294 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.592 ' HB2' ' CG ' ' A' ' 179' ' ' LYS . 65.6 mmtt -157.09 161.49 39.44 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.386 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mt -109.67 102.84 51.5 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 -177.813 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_endo -88.42 116.62 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.757 2.971 . . . . 0.0 112.638 179.6 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.75 152.39 24.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.301 176.955 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -136.08 120.81 18.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.712 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.714 HG22 HD12 ' A' ' 91' ' ' LEU . 10.7 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.531 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -109.01 116.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -174.366 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.61 101.41 2.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.634 177.295 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.465 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.4 m120 -82.64 143.9 30.67 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 -178.692 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' HD2' ' OD1' ' A' ' 131' ' ' ASP . 23.9 tptm 63.34 71.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.789 0.681 . . . . 0.0 110.24 177.768 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.7 p -97.18 9.4 42.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.388 0.614 . . . . 0.0 109.783 176.437 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.436 ' OD1' ' HD2' ' A' ' 129' ' ' LYS . 4.0 m-20 -67.16 -20.97 65.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.218 -176.91 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.6 OUTLIER -72.11 -47.73 49.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 -179.291 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 62.22 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.378 0.671 . . . . 0.0 112.1 -179.132 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.29 -27.65 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.573 -173.647 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 48.5 mtt180 -84.38 17.54 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 -177.331 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -64.17 114.38 4.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.101 0.476 . . . . 0.0 110.753 -178.076 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -176.894 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.84 112.48 32.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 134.61 53.99 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.784 2.322 . . . . 0.0 112.025 -179.571 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.4 t -58.77 -26.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.823 178.763 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.31 -36.15 68.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -78.79 -40.87 31.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.342 0.591 . . . . 0.0 110.264 178.722 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.203 179.179 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 78.6 mtp180 -65.09 -34.97 79.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.32 178.253 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -59.18 -45.2 91.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.22 176.351 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 65.9 mmtt -66.13 -36.22 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.133 179.633 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.35 80.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.251 0.548 . . . . 0.0 110.17 174.566 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -72.72 -49.29 32.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.545 178.384 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.11 -43.59 91.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.633 -177.452 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -83.06 -25.62 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -176.692 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.71 45.09 5.29 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.18 -179.651 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.9 m -132.85 -174.91 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 -177.691 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 153' ' ' GLN . . . . . 0.788 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -106.08 156.75 18.11 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 175.785 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.409 ' HE2' HG13 ' A' ' 140' ' ' VAL . 78.3 t80 -128.87 123.26 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.164 178.141 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.426 HG13 ' ND2' ' A' ' 164' ' ' ASN . 96.9 t -132.73 125.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -178.61 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -86.05 144.92 27.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.811 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 p -135.65 130.78 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 111.841 -173.223 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 163' ' ' ALA . 4.7 p -118.29 102.3 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.148 175.804 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.35 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.891 -177.113 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.98 -42.95 36.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 178.042 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 16.6 p -110.41 5.24 21.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.408 -179.519 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 64.01 24.57 13.61 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.097 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.421 ' HB3' ' OG ' ' A' ' 158' ' ' SER . . . -80.91 122.42 27.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.878 -174.018 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.426 ' ND2' HG13 ' A' ' 155' ' ' VAL . 1.0 OUTLIER 66.5 11.45 8.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.169 174.394 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.475 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.4 t -75.63 -37.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 -177.156 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.37 -38.46 84.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.727 -178.342 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.353 -174.736 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -57.77 -32.89 43.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -173.308 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -75.52 -52.57 10.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 179.244 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -69.09 -39.01 79.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.551 -176.057 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.72 -50.05 75.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.203 -177.532 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.0 tp -67.82 -39.04 83.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.811 -177.491 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 64' ' ' ILE . 41.8 mtm -60.91 -34.36 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.592 -179.903 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.827 ' HE ' HD11 ' A' ' 57' ' ' LEU . 7.2 mmt85 -75.97 -38.05 57.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.857 178.389 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.617 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.8 mm-40 -61.25 -35.57 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 176.352 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.534 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 83.6 mt -59.11 -40.63 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 109.96 173.744 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.416 HH12 ' CD ' ' A' ' 60' ' ' GLU . 29.6 mtp180 -68.6 -37.59 79.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 m -55.52 -42.76 74.98 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.408 0.623 . . . . 0.0 110.011 174.474 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.617 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.3 mptt -70.69 -41.45 71.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.534 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 75.1 mmtt -62.56 -33.19 74.44 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.248 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.5 mtt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.476 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 394' ' ' THR . . . . . 0.54 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.6 m . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 395' ' ' GLN . . . . . 0.452 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 52.2 mt-30 -60.69 -36.17 78.09 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.11 178.063 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 396' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.05 -55.18 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.952 0.406 . . . . 0.0 110.726 177.475 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.82 95.03 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.233 178.69 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 398' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 394' ' ' THR . 45.5 mm -61.5 -47.69 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 110.714 177.655 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 399' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 56.5 mtpt -63.8 -36.88 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.183 -178.132 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 400' ' ' GLU . . . . . 0.614 ' HG2' HH21 ' B' ' 403' ' ' ARG . 32.6 mt-10 -68.03 -36.06 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.246 176.832 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.98 -39.59 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.96 177.252 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 402' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' B' ' 439' ' ' LEU . 96.6 mt -56.14 -53.15 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.228 174.263 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 403' ' ' ARG . . . . . 0.614 HH21 ' HG2' ' B' ' 400' ' ' GLU . 49.8 mtm180 -55.57 -38.16 69.01 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.032 0.444 . . . . 0.0 110.873 -178.777 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 404' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.3 ttm180 -62.17 -52.09 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.779 -179.756 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 405' ' ' GLN . . . . . 0.414 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -73.0 -27.44 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.61 -177.455 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.52 -54.12 50.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.39 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.69 -41.29 97.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.152 -179.462 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 60.7 mt -60.2 -50.86 72.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 -179.223 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 409' ' ' LEU . . . . . 0.577 HD13 HG13 ' B' ' 432' ' ' VAL . 42.4 tp -70.18 -36.17 74.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.016 178.986 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.45 -47.65 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.421 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.3 t -59.77 -40.98 90.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.004 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 412' ' ' LEU . . . . . 0.765 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 56.6 mt -58.73 -49.69 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 173.739 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -57.29 -48.47 78.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.395 -177.992 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.55 -31.53 69.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -176.697 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.17 -48.2 62.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.621 178.342 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 416' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 23.3 mt -61.61 -42.15 98.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.47 -9.76 28.42 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.442 -178.943 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.48 -10.51 85.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.511 173.7 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.24 16.15 11.63 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.529 178.898 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 420' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 25.2 mt -131.98 117.45 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 O-C-N 122.838 -0.213 . . . . 0.0 111.211 -178.451 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 421' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' B' ' 416' ' ' LEU . 0.0 OUTLIER -135.5 165.14 26.21 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 172.185 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' B' B ' 422' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 20.5 t70 -147.79 154.35 40.37 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.084 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.45 -30.41 68.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 -177.589 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -35.48 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.12 177.647 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 425' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' B' ' 429' ' ' LEU . 20.0 mttt -73.37 -43.94 59.65 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -177.152 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 426' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 429' ' ' LEU . 1.1 mm-40 -57.15 -41.64 79.52 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.086 -177.502 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.586 178.785 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 428' ' ' ARG . . . . . 0.546 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 mmt180 -59.53 -40.97 88.91 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.012 176.269 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 429' ' ' LEU . . . . . 0.669 HD11 HD11 ' B' ' 416' ' ' LEU . 84.1 mt -55.82 -54.87 39.21 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.723 -177.514 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 430' ' ' TRP . . . . . 0.546 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 57.8 m95 -61.31 -41.57 97.21 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.197 0.311 . . . . 0.0 111.745 -178.017 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 431' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 7.9 tp10 -70.65 -53.79 14.43 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.265 -176.145 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 432' ' ' VAL . . . . . 0.634 ' HA ' HD12 ' B' ' 435' ' ' ILE . 12.3 p -60.61 -33.73 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 0.0 110.709 -179.512 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 433' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 50' ' ' SER . 25.9 tp60 -56.29 -53.31 58.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.303 177.766 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 434' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 0.0 OUTLIER -71.04 -26.61 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.505 -179.059 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' B' B ' 435' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' B' ' 432' ' ' VAL . 84.1 mt -66.2 -47.96 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.56 175.588 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 436' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' B' ' 439' ' ' LEU . 49.8 tp -58.1 -40.63 81.67 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.782 0.325 . . . . 0.0 111.692 176.359 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 437' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 434' ' ' ARG . 4.1 t -74.24 -31.6 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 -177.299 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 438' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.91 -37.0 86.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.974 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 439' ' ' LEU . . . . . 1.103 HD23 ' HD3' ' B' ' 442' ' ' LYS . 63.9 mt -62.0 -37.12 83.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.788 176.168 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.25 -38.84 81.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 109.571 175.246 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -66.68 -44.66 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.264 177.851 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 1.103 ' HD3' HD23 ' B' ' 439' ' ' LEU . 53.6 mtpt -58.24 -40.48 81.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.159 178.468 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 443' ' ' LEU . . . . . 0.451 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.5 tp -61.21 -42.93 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.012 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.057 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -90.32 -39.21 12.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.95 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' B' B ' 446' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.294 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -128.84 10.12 5.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.928 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -67.37 -22.97 65.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' HD2' ' A' ' 180' ' ' LYS . 19.9 m -88.19 3.51 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.458 0.647 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.72 -25.05 11.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.48 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -84.79 2.54 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -124.93 124.45 42.07 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.219 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -123.86 138.73 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.661 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ASP . 62.3 mmtt -118.11 116.31 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 66' ' ' ILE . 97.7 t -129.68 121.93 53.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 0.0 111.208 -176.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 89' ' ' PHE . 57.5 mt -105.14 131.75 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.09 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.549 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 44.3 ttm -111.06 118.65 36.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.891 0.376 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.08 162.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.32 -165.76 20.99 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 21.3 t -92.97 4.95 53.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.653 0.74 . . . . 0.0 109.762 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.68 -64.94 0.49 Allowed Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.93 -91.17 1.77 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.1 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG11 HG12 ' A' ' 92' ' ' VAL . 96.8 t 71.23 -51.75 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.415 0.686 . . . . 0.0 111.448 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.641 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 139.03 24.38 0.32 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.55 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.5 pttp -81.25 12.15 3.76 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -106.8 -33.34 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.18 69.14 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.99 -39.81 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.159 0.504 . . . . 0.0 110.707 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -49.88 66.97 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.256 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD22 HG22 ' A' ' 40' ' ' VAL . 10.8 mp -62.52 -35.06 78.2 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 121.288 -0.165 . . . . 0.0 111.204 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.77 -48.93 79.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.597 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -71.17 -14.43 62.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.521 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.571 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 72.0 mtm -106.49 -47.5 3.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.07 -13.18 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.32 23.16 13.66 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.881 0.372 . . . . 0.0 110.646 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -116.0 145.03 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.661 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -84.69 143.19 29.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.672 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 32' ' ' LEU . 45.8 t -68.1 100.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.859 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.96 -59.96 2.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.202 0.525 . . . . 0.0 109.596 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -154.15 102.69 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.284 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.8 93.4 2.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 41.7 tt0 -75.26 -64.0 0.64 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.417 -172.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 38.9 Cg_exo -27.67 -104.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.963 3.775 . . . . 0.0 115.699 -167.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.467 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 51.3 p 43.6 37.01 1.34 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.114 0.566 . . . . 0.0 112.318 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -84.63 -55.08 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' CB ' ' HE1' ' B' ' 413' ' ' HIS . . . -125.44 -9.99 6.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.812 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.93 119.03 15.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.8 m -153.3 156.2 37.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.879 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -124.03 162.96 22.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' NH1' ' HB3' ' B' ' 434' ' ' ARG . 33.7 mtm180 -104.62 144.49 31.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.202 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 55.6 tptt -106.28 128.83 54.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.939 0.399 . . . . 0.0 111.108 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.26 115.92 26.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.829 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.8 m -126.85 146.2 33.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.29 114.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.335 0.588 . . . . 0.0 110.035 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mp -102.76 100.77 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.551 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 62.99 16.91 9.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.834 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.28 -30.78 2.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 119.62 -1.276 . . . . 0.0 114.136 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.85 129.07 43.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.813 0.807 . . . . 0.0 110.424 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.66 109.53 14.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -106.45 142.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.518 -171.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -113.58 123.71 50.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.293 0.568 . . . . 0.0 111.108 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -108.57 121.21 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.575 0.702 . . . . 0.0 110.009 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.687 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 46.4 t0 -95.66 110.75 22.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.472 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 17' ' ' VAL . 27.7 mm -110.21 142.74 21.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -131.16 117.73 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.491 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 38.4 t0 -91.3 91.33 8.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.2 p -88.18 144.4 26.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.814 -169.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -69.4 130.62 43.05 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.999 171.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.24 97.64 0.22 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.587 ' HG ' ' N ' ' A' ' 73' ' ' GLU . 2.4 pt? -142.14 -58.26 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 9.5 tp10 176.08 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.895 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.11 -72.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.743 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.431 ' HB3' HD12 ' A' ' 78' ' ' ILE . 95.6 m-85 -80.26 53.42 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.668 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -18.96 65.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.399 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -71.58 -10.33 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.479 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 50.6 mt -101.11 -34.37 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.835 0.35 . . . . 0.0 110.07 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 51.4 ttp180 -86.89 -65.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 4.2 m-20 -74.54 -46.67 37.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 -171.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.45 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 11.5 m120 -70.01 -15.96 63.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.884 -174.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 15.2 m-85 -93.32 -9.61 38.28 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 5.1 m-30 -63.14 -22.93 67.19 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.533 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -58.91 -54.62 45.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 111.793 -174.01 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 2.3 m -91.37 37.97 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.923 0.392 . . . . 0.0 111.936 -169.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.37 122.09 4.29 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.53 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.567 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 32.7 mm-40 -65.22 -74.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.757 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.14 155.87 18.6 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.634 -173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 18' ' ' ILE . 92.6 m-85 -130.03 135.85 48.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.969 0.414 . . . . 0.0 111.092 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.2 mt -106.99 112.89 26.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.929 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 125' ' ' VAL . 48.9 mt -89.47 106.42 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 ' HB ' ' A' ' 126' ' ' VAL . 44.7 t -110.54 117.3 54.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -173.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -138.33 172.9 12.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.34 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -121.22 146.52 46.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.46 5.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.885 HG23 HD22 ' A' ' 132' ' ' LEU . 6.3 p -89.49 -17.64 28.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.0 109.742 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HB2' ' OG ' ' A' ' 100' ' ' SER . 45.0 mt-10 -110.32 106.7 16.17 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.059 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.88 -23.9 59.65 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.66 -48.27 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.839 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 13.4 p -70.58 -24.33 62.75 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.433 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.51 -48.84 75.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 m -65.4 -32.36 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.633 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.29 62.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.56 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.6 p -58.3 -39.43 79.31 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.048 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.79 81.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.544 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.71 -46.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.807 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.01 -44.38 91.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.228 0.537 . . . . 0.0 110.033 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 112' ' ' LEU . 61.8 ttt180 -55.91 -51.25 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.702 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 37.7 mt-10 -69.26 -32.2 71.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.837 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.219 0.533 . . . . 0.0 110.076 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.91 -41.35 81.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.78 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.8 mm? -61.96 -33.08 73.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 55.5 mtp180 -70.27 -21.97 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.482 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.6 m -110.21 -17.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.445 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.525 ' HD2' ' OE1' ' A' ' 118' ' ' GLU . 15.5 mtmt -136.42 118.33 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.725 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.26 -31.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.04 4.82 49.07 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.525 ' OE1' ' HD2' ' A' ' 115' ' ' LYS . 11.1 pt-20 -86.73 -169.36 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.568 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -82.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.078 0.236 . . . . 0.0 111.407 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.824 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 12.4 mmmm -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 -175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.1 mt -102.47 104.19 36.37 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.779 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_exo -72.94 120.64 6.75 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.17 2.58 . . . . 0.0 111.918 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 89' ' ' PHE . 77.7 mt -119.61 129.27 54.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.8 tp -130.91 119.75 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.015 0.435 . . . . 0.0 109.866 175.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.492 HG22 HD12 ' A' ' 91' ' ' LEU . 12.6 t -90.3 121.5 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.691 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.595 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -110.29 120.95 62.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.49 -175.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.46 115.96 5.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 56.4 t30 -101.42 155.6 17.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.71 ' HB3' HD23 ' A' ' 132' ' ' LEU . 25.3 mmmt 77.09 42.15 0.14 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.024 0.827 . . . . 0.0 112.302 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -70.97 15.08 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.248 0.547 . . . . 0.0 110.868 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 129' ' ' LYS . 3.5 p-10 -103.62 -1.48 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.453 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 96' ' ' THR . 2.7 pp -83.88 -45.65 13.0 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.318 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 132' ' ' LEU . 41.5 tt0 62.2 -77.66 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.806 0.843 . . . . 0.0 112.74 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.14 -16.43 59.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.82 7.16 15.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -60.4 119.43 7.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.303 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.46 -16.82 14.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.3 p -128.93 121.38 20.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 24.3 Cg_exo -63.3 132.85 37.79 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.909 2.406 . . . . 0.0 112.281 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.608 HG12 ' HG3' ' A' ' 144' ' ' ARG . 18.2 t -63.4 -22.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.636 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.5 -47.32 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.029 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 15.7 pt-20 -81.52 -27.56 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.98 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.608 ' HG3' HG12 ' A' ' 140' ' ' VAL . 38.4 mtp180 -70.33 -32.76 70.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.029 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.5 t -63.36 -35.48 80.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 67.3 mmtt -65.24 -36.87 85.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.877 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.88 -45.58 89.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 0.0 110.014 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.57 -37.58 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.523 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.56 -39.02 86.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.101 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.413 ' HB2' HG22 ' A' ' 152' ' ' VAL . 35.7 m0 -97.55 -5.75 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.53 30.39 60.24 Favored Glycine 0 C--O 1.228 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.16 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 150' ' ' TRP . 29.5 m -120.28 -170.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.764 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -114.82 150.67 35.13 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.29 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.527 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 85.6 t80 -121.15 124.15 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.507 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.67 134.21 66.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.19 130.29 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.033 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -137.62 173.44 11.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.123 0.487 . . . . 0.0 110.852 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.0 t -169.83 135.94 1.5 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.32 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.03 -6.99 58.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.727 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.618 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 28.1 tptp -77.89 -51.72 9.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.511 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -89.94 -17.82 27.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.886 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 61.44 66.43 0.86 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.628 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -130.72 132.73 45.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.31 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 65.93 16.04 10.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.24 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.529 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 90.7 t -71.15 -42.77 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -52.65 -57.52 9.77 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.54 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.24 -33.84 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 51.2 m-85 -74.97 -51.2 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.9 m-85 -66.17 -43.85 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.195 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.64 -49.3 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.775 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 90' ' ' LEU . 45.5 tp -67.21 -39.42 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 16.2 ptp -67.1 -29.58 69.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.742 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 18.4 mmm180 -69.33 -39.16 78.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.284 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.58 -35.34 74.11 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.911 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.27 -32.93 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.916 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -65.56 -43.47 89.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.206 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.4 m -62.8 -37.74 87.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.824 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.3 mptt -68.48 -39.43 81.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.075 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HD2' ' HB3' ' A' ' 11' ' ' SER . 23.4 mmtm -74.14 -23.98 59.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.1 mtt -81.37 -21.52 39.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 48.7 m 64.79 173.91 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.52 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -107.73 -73.62 0.68 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.052 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 50.55 52.63 14.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.589 0.709 . . . . 0.0 110.212 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.514 -179.311 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 26.3 p -157.47 28.22 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -51.5 -59.84 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.557 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 18.8 m -84.92 -33.06 22.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -64.51 -28.07 69.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.67 -54.51 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.087 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.61 -35.06 91.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.059 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 442' ' ' LYS . 42.9 mm -65.13 -48.78 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.847 177.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.61 -42.45 92.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.102 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.606 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 7.4 tp10 -68.81 -42.08 77.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' B' ' 443' ' ' LEU . 96.3 mt -55.68 -49.54 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.046 175.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.09 -37.78 75.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.606 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 37.4 ttm180 -63.96 -42.92 97.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.528 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.0 mm-40 -71.12 -38.44 72.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.133 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.04 -41.14 96.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.078 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.29 -48.38 81.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.512 ' HB2' HG21 ' B' ' 432' ' ' VAL . 62.8 mt -56.8 -46.9 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.533 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.482 HD11 ' OH ' ' A' ' 82' ' ' TYR . 12.9 tp -67.96 -46.56 71.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.3 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.38 -48.79 79.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.435 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -59.91 -52.98 63.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.57 ' HB3' HD21 ' B' ' 429' ' ' LEU . 31.2 mt -56.15 -31.2 63.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.023 0.439 . . . . 0.0 111.064 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.453 ' HE1' ' CB ' ' A' ' 48' ' ' ALA . 28.6 m170 -72.52 -48.77 37.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.213 -0.305 . . . . 0.0 111.222 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -68.81 -43.12 76.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 111.032 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.3 -44.76 96.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.469 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.69 HD22 HD11 ' B' ' 429' ' ' LEU . 10.2 mp -75.65 -27.57 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -63.98 -22.01 66.74 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.482 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.61 -2.33 74.97 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.549 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.33 -7.21 51.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.575 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.8 mt -93.62 115.18 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.665 ' HA ' ' HD2' ' B' ' 425' ' ' LYS . 0.0 OUTLIER -146.47 154.4 41.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.136 0.493 . . . . 0.0 109.773 176.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 18.7 t70 -147.62 158.57 44.06 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.431 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 8.5 mp -64.02 -26.82 68.74 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.364 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.9 m -65.48 -36.18 83.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.494 0.664 . . . . 0.0 109.393 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 22.4 mttm -73.91 -45.4 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.54 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 36.9 mt-10 -60.38 -45.49 93.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.018 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -68.15 -41.81 81.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 110.473 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.56 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.6 tpt180 -66.57 -32.9 74.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.69 HD11 HD22 ' B' ' 416' ' ' LEU . 12.4 mt -56.17 -53.05 61.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.595 ' HB3' ' CZ ' ' B' ' 434' ' ' ARG . 25.2 m95 -63.12 -45.53 91.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.622 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.446 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 39.9 tt0 -57.83 -54.77 43.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.76 -175.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.69 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.3 p -64.58 -34.25 68.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 0.0 110.796 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 33.2 tp60 -55.97 -47.79 77.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.595 ' CZ ' ' HB3' ' B' ' 430' ' ' TRP . 27.2 mtt180 -65.66 -28.46 69.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.491 . . . . 0.0 110.545 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' B' ' 432' ' ' VAL . 44.7 mt -75.76 -39.26 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.064 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -58.38 -45.94 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.343 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.4 t -70.56 -32.57 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 110.271 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.71 -36.75 76.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.208 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.3 mm? -63.86 -35.93 82.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.017 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -57.49 -42.93 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.437 0.636 . . . . 0.0 109.746 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.54 89.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.466 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.5 mmmt -58.7 -35.75 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.489 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.631 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -64.01 -47.51 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 444' ' ' ARG . 36.4 mtm180 -82.23 -1.97 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.8 -42.09 20.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.012 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.233 -176.186 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.641 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -161.77 -69.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.37 . . . . 0.0 110.285 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.498 ' HB2' ' HD2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER -154.74 15.1 0.43 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.915 -178.041 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m 67.07 92.62 0.08 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.672 0.748 . . . . 0.0 111.544 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 177' ' ' ARG . 97.3 mt -96.51 -10.31 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.413 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.93 7.52 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.5 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 13' ' ' ALA . 3.5 mm? -126.33 125.42 42.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.553 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -135.5 125.31 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -112.32 114.82 27.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.162 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 96.0 t -115.44 129.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 110.922 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -111.65 125.48 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.349 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtt -97.85 117.27 31.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.844 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.49 176.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.266 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.9 -161.83 30.52 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.875 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 p -84.7 -9.59 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.386 0.612 . . . . 0.0 110.437 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.53 -49.32 0.9 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.262 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . . . -89.32 -102.78 1.06 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.855 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t 70.16 -51.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.481 0.712 . . . . 0.0 112.033 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.514 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . 135.08 17.48 0.89 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.695 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -60.36 -47.09 87.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.665 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.2 m -68.32 -25.15 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.0 111.13 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.8 -49.85 35.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.614 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.459 HG22 HG21 ' A' ' 66' ' ' ILE . 19.0 p -66.37 -35.97 81.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.685 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD23 ' HB ' ' A' ' 40' ' ' VAL . 23.0 tp -76.03 -31.52 58.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.567 ' HB2' HG11 ' A' ' 165' ' ' VAL . 19.3 mm100 -69.15 -36.79 77.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.24 -2.25 21.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.297 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 39.7 tpp -106.11 -57.71 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -96.31 -105.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.483 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 177.79 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.028 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.13 165.53 12.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -76.52 142.3 40.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.898 -174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' HD23 ' A' ' 32' ' ' LEU . 6.2 p -75.43 133.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.529 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -126.35 -32.91 2.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.207 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -144.97 109.4 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.769 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -166.95 100.73 0.54 Allowed 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.602 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 31.4 mt-10 -91.18 -59.99 0.22 Allowed Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -172.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -74.93 110.3 3.09 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.488 2.125 . . . . 0.0 114.544 -166.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.705 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 42.3 p -145.82 7.13 1.07 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.576 170.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.57 -56.51 13.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.144 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.92 26.92 6.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -135.73 101.03 4.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.689 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.5 p -108.81 167.98 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.856 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.457 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.5 t80 -131.9 104.61 6.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.199 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -84.56 133.63 34.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.314 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -137.04 177.3 7.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -178.009 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 39.7 ttmt -106.53 127.84 53.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.707 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.86 146.72 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.286 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.66 103.76 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.783 0.802 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.99 97.72 9.98 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 36.82 81.27 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.789 1.305 . . . . 0.0 112.648 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.41 -99.66 0.2 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.744 -1.217 . . . . 0.0 113.908 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.6 pt-20 -123.45 163.92 19.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 0.0 111.079 -172.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.619 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 36.1 mt-10 -65.11 111.1 2.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.704 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -109.09 145.35 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.82 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -114.84 134.9 54.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.241 0.543 . . . . 0.0 110.861 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 ' SD ' ' A' ' 173' ' ' MET . 17.6 tt -129.7 142.02 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.082 -173.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -129.53 138.41 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.715 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 31' ' ' THR . 15.2 mm -127.45 127.19 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.415 0.15 . . . . 0.0 111.068 -173.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 115.28 27.65 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.705 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 26.2 t70 -92.82 83.69 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.2 p -80.02 157.05 26.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.711 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 151.33 22.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.8 62.03 0.81 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.078 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -149.12 151.5 34.5 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 122.193 0.197 . . . . 0.0 110.581 -178.212 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -77.35 -16.33 58.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -49.39 -63.09 1.21 Allowed 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.301 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.476 ' H ' HD13 ' A' ' 72' ' ' LEU . 78.6 m-85 -94.3 74.81 3.94 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.122 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.01 -21.49 66.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.359 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.56 -6.66 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.574 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.3 mt -106.36 -37.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.092 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 1.8 mtm180 -92.34 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.547 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.37 -46.16 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.194 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.786 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 12.9 m120 -77.22 -16.15 59.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.842 -175.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.86 6.35 48.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 176.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' A' ' 114' ' ' VAL . 6.5 m-85 -79.88 -159.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.634 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' H ' ' HB3' ' A' ' 83' ' ' PHE . 31.0 mmm180 69.38 -69.45 0.16 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.058 0.543 . . . . 0.0 111.8 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 -14.48 61.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 146.74 37.47 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.927 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -105.27 -71.83 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 110.292 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.68 145.67 17.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.712 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.2 128.69 47.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 111.071 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 124' ' ' LEU . 80.7 mt -104.96 113.28 26.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.482 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.3 106.31 17.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.897 HG12 ' HB ' ' A' ' 126' ' ' VAL . 26.8 m -116.25 134.18 60.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 111.106 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -147.84 154.18 40.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.561 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.3 p -93.11 152.0 19.52 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.851 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.94 -4.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.915 0.388 . . . . 0.0 111.086 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -91.6 4.15 53.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.805 174.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.53 93.16 3.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.942 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -71.78 -29.3 64.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.23 -53.89 31.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 m -60.73 -27.33 67.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.424 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.16 -49.88 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 m -68.13 -28.3 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.286 0.565 . . . . 0.0 110.431 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.95 63.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.124 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 39.8 p -56.11 -37.06 68.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.252 0.549 . . . . 0.0 111.033 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.22 -35.78 74.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.388 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.61 -39.56 80.8 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.41 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.92 -50.26 73.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 111' ' ' ILE . 14.0 ptm180 -63.83 -38.45 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.099 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -67.24 -37.28 83.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 110.651 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.87 -35.58 81.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 109.739 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 86.0 mt -66.42 -51.2 60.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.558 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' HA ' ' H ' ' A' ' 116' ' ' ALA . 8.6 mp -69.75 -20.95 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 113' ' ' ARG . 26.0 ttp85 -61.55 -34.98 76.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 83' ' ' PHE . 19.9 m -104.24 -10.04 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.98 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.697 ' HB3' ' HG3' ' A' ' 118' ' ' GLU . 42.4 mttm -121.55 -87.73 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.027 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.496 ' H ' ' HA ' ' A' ' 112' ' ' LEU . . . 66.15 -74.47 0.06 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.485 0.714 . . . . 0.0 112.091 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.35 42.31 0.94 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.703 0.287 . . . . 0.0 111.423 -173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.697 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 5.2 mm-40 -102.2 -33.1 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' HB3' ' HD2' ' A' ' 120' ' ' LYS . 31.8 t70 75.23 -48.51 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.37 0.668 . . . . 0.0 111.762 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 179' ' ' LYS . 2.5 mptp? -84.1 50.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 -173.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 115' ' ' LYS . 52.4 mt -114.92 90.15 21.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 2.6 Cg_endo -87.25 131.79 3.08 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.173 2.582 . . . . 0.0 111.72 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -117.62 122.87 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 0.0 110.649 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 11.2 tp -119.09 122.75 42.79 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.421 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.6 t -88.57 126.86 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.511 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.897 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -127.44 129.78 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.157 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.07 138.6 13.95 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -136.13 179.54 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.335 0.567 . . . . 0.0 110.704 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.571 ' HE2' ' C4 ' ' A' ' 500' ' ' GNP . 35.0 mmtp 62.98 63.83 0.91 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.423 0.689 . . . . 0.0 111.164 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -82.62 5.32 21.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.6 -30.22 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 112.045 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.646 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -83.37 -58.38 2.86 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.57 -176.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.578 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 40.3 tt0 67.55 -67.48 0.18 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.679 0.791 . . . . 0.0 111.683 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.77 -34.23 77.86 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -86.27 26.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.648 0.737 . . . . 0.0 110.794 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.851 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.4 ttm180 -66.0 113.68 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.099 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -78.15 -40.93 36.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.25 0.548 . . . . 0.0 110.854 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -108.75 124.73 33.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.962 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.3 Cg_exo -56.42 114.42 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.34 2.027 . . . . 0.0 110.762 175.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -69.79 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 110.235 -174.354 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.11 -48.05 83.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.0 pt-20 -77.56 -19.55 55.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.514 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.95 79.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.5 mtp180 -65.4 -35.0 79.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.825 173.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.3 t -63.2 -33.59 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.2 mmtt -66.09 -35.71 81.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 0.0 111.232 176.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.41 98.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.071 0.463 . . . . 0.0 109.78 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.98 -44.79 95.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.955 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -58.54 -41.39 85.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.397 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -91.4 -13.83 31.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.597 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.78 34.43 18.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.296 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.08 -168.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.592 0.234 . . . . 0.0 110.979 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 3.2 pm0 -112.53 157.27 21.34 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.53 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -124.25 125.55 44.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.57 128.58 72.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -86.08 134.77 33.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.561 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.0 p -126.37 134.92 50.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.262 0.553 . . . . 0.0 111.455 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.4 m -113.14 97.66 6.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.332 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.4 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -66.68 -45.35 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.419 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 26.2 p -88.2 -3.59 58.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 61.47 49.04 5.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -117.24 139.25 51.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.573 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 70.18 10.22 7.27 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.847 0.717 . . . . 0.0 111.922 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 33' ' ' GLN . 60.2 t -67.4 -47.59 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.42 -28.63 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.844 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.25 -52.55 64.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.896 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.63 -28.34 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.965 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.02 -56.59 4.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 22.3 m-85 -62.52 -41.12 98.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.509 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.03 -41.7 97.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.427 HD22 ' HG ' ' A' ' 90' ' ' LEU . 34.5 tp -65.83 -38.94 90.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.497 ' SD ' HD12 ' A' ' 64' ' ' ILE . 54.3 mtp -61.09 -31.24 70.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.707 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 1.5 mmt85 -68.82 -45.2 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.629 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 122' ' ' PRO . 13.6 mt-10 -58.14 -39.81 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.325 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.632 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 72.6 mt -56.38 -41.1 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.543 ' HG2' HD22 ' A' ' 12' ' ' LEU . 40.3 mtt180 -61.59 -45.03 95.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.627 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -39.47 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.509 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.747 ' HB3' ' HG3' ' A' ' 120' ' ' LYS . 14.5 mptt -69.88 -31.87 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.8 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 70.3 mmtt -66.36 -51.73 54.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.309 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.7 mtt -70.75 -37.49 73.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.321 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 t 70.44 167.07 0.3 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.079 -174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.03 96.74 5.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.433 0.635 . . . . 0.0 109.852 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -109.63 10.47 24.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.041 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.226 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.822 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 63.8 m -156.24 92.85 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.726 0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.29 -71.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 0.0 110.808 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.5 m -74.68 -34.46 62.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.16 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.822 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 41.8 mt-30 -57.58 -35.78 70.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.749 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.7 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.71 -43.98 98.18 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.708 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 402' ' ' ILE . 23.9 mm -56.36 -51.93 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' B' ' 402' ' ' ILE . 8.7 mtpm? -62.1 -40.3 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -176.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 1.4 mm-40 -65.28 -30.58 71.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.2 mt -58.31 -50.35 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.573 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 25.0 mmt180 -63.03 -33.06 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 177.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 72.0 ttt180 -60.61 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.54 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.432 ' HB2' HD13 ' B' ' 436' ' ' LEU . 72.7 mm-40 -69.46 -36.27 76.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 47.7 mt-10 -59.69 -44.57 93.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.07 175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.6 -45.59 92.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.5 mt -58.31 -51.42 69.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' B' ' 413' ' ' HIS . 23.7 tp -58.97 -48.58 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.774 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -55.77 -39.57 71.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.722 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -58.79 -53.48 57.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.414 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 5.7 mp -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.519 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' B' ' 409' ' ' LEU . 0.3 OUTLIER -57.79 -43.85 85.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.63 -39.95 50.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.03 -49.96 63.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.401 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 64.2 mt -62.84 -24.55 67.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.538 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.73 -17.16 54.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 111.386 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.13 -2.94 84.39 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.655 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.77 -18.78 34.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.141 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.6 mt -75.17 126.32 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -153.95 154.08 33.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.457 0.646 . . . . 0.0 110.336 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.691 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 20.8 t70 -148.01 162.91 38.4 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.96 0.409 . . . . 0.0 110.656 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.7 m -66.44 -32.15 73.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 43.1 mmtt -73.87 -49.42 25.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.229 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.98 -43.12 91.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.307 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.75 -34.88 79.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.689 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.9 tpt180 -65.51 -47.35 76.26 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 8.5 mp -56.4 -49.66 73.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 16' ' ' LYS . 65.5 m95 -57.39 -32.08 66.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.875 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 434' ' ' ARG . 9.3 tp10 -68.97 -54.25 16.32 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.213 0.32 . . . . 0.0 110.898 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.6 t -65.8 -38.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 110.584 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -56.52 -49.61 74.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.393 1.092 . . . . 0.0 109.514 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 431' ' ' GLU . 6.1 ttt180 -56.65 -45.78 81.41 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.063 -1.88 . . . . 0.0 111.671 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' B' ' 432' ' ' VAL . 26.8 mt -65.18 -49.41 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' B' ' 405' ' ' GLN . 38.7 tp -58.43 -42.42 87.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.457 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.7 t -70.34 -42.36 71.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.8 0.333 . . . . 0.0 111.012 -175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.94 -35.37 80.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.388 0.614 . . . . 0.0 109.89 176.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.25 -32.8 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.069 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.99 -36.65 85.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.971 0.415 . . . . 0.0 110.276 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.481 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 0.6 OUTLIER -66.86 -40.04 87.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -57.37 -35.41 69.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.164 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.52 ' HA ' HG21 ' B' ' 398' ' ' ILE . 2.6 tm? -63.26 -50.39 70.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.328 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -74.54 -12.38 60.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.734 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -79.8 -16.71 54.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 109.677 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.444 179.067 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.571 ' C4 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' HOH . . . . . 0.631 ' O ' ' OD2' ' A' ' 68' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -141.88 -153.1 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.2 m -60.0 171.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.423 0.289 . . . . 0.0 111.202 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . 54.2 m -54.46 128.79 33.42 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.045 0.45 . . . . 0.0 110.571 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER -85.24 43.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 -172.141 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -93.96 14.08 20.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 33.0 tp -119.61 115.33 23.75 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -125.8 142.93 51.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.775 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 31.3 mmtp -119.23 116.6 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.12 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' HB ' HD13 ' A' ' 66' ' ' ILE . 57.3 t -123.49 113.02 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.0 110.426 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.684 HG12 HD12 ' A' ' 67' ' ' LEU . 56.5 mt -101.65 127.31 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.789 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.499 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 38.5 mtt -95.9 110.07 22.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.422 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -95.3 145.97 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 163.7 -170.67 39.12 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.549 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 4.1 p -84.6 -24.31 29.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.555 0.693 . . . . 0.0 110.172 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.46 -41.64 1.34 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.925 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -122.67 4.88 Favored Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 93' ' ' PHE . 60.9 t 68.31 -52.13 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.544 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.529 ' HA2' " O3'" ' A' ' 500' ' ' GNP . . . 158.65 32.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 20.4 ttpp -86.72 -63.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.271 . . . . 0.0 111.221 -172.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -64.75 -16.6 63.2 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB2' " H4'" ' A' ' 500' ' ' GNP . . . -70.58 -39.14 74.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.81 -37.32 76.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -61.62 -53.99 48.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.509 -176.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.06 -31.37 71.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.525 0.202 . . . . 0.0 111.199 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 63.3 mm-40 -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.576 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 67.8 t80 -73.66 -33.18 64.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.247 0.546 . . . . 0.0 110.374 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.4 mtp -75.92 -62.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.001 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -119.42 -2.65 10.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 37.2 t70 69.78 16.69 7.81 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.43 145.74 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.733 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.1 148.57 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.46 105.74 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.98 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.5 -40.49 9.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -160.47 101.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.264 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -155.75 114.69 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.736 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 31.4 tt0 -96.5 -59.62 0.17 Allowed Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 11.6 Cg_endo -52.45 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.158 2.572 . . . . 0.0 114.819 -166.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -153.96 65.14 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.368 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -86.33 -59.72 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 109.722 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.13 7.01 6.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.877 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.15 112.74 1.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.974 -171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 1.3 m -104.37 149.07 25.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.863 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.76 112.05 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.319 0.581 . . . . 0.0 111.071 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -75.53 107.09 7.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -100.92 130.03 46.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.034 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -86.9 112.54 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 53' ' ' LYS . 18.6 m -134.56 153.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.78 136.74 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.726 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 57' ' ' LEU . 2.6 pt? -120.25 96.76 5.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 46.58 75.5 0.12 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.21 -132.13 2.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.497 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 pt-20 -95.63 157.53 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.262 0.225 . . . . 0.0 110.641 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.47 111.37 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 60' ' ' GLU . 92.1 t -106.41 141.36 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 -172.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -113.47 117.88 32.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.858 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.5 tt -109.74 125.1 66.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.941 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -107.46 135.48 48.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 HG23 ' A' ' 31' ' ' THR . 42.5 mm -118.32 126.24 74.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.471 -172.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 HG12 ' A' ' 18' ' ' ILE . 33.7 mt -98.55 103.97 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.53 80.22 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.9 p -76.52 159.95 29.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.424 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 125.0 35.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.546 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -86.05 66.52 3.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.181 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -132.74 -178.31 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.596 0.236 . . . . 0.0 110.736 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -103.06 0.32 31.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.7 m-20 -74.6 -73.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.612 . . . . 0.0 111.306 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.44 ' CB ' HD12 ' A' ' 78' ' ' ILE . 76.6 m-85 -79.82 71.19 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.022 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.56 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.41 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -65.0 -23.1 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.186 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 75' ' ' TYR . 63.0 mt -95.06 -15.85 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.416 0.627 . . . . 0.0 110.181 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -91.61 -63.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.989 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.66 -57.25 4.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.27 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.69 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 8.3 m120 -71.03 -36.09 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.12 -169.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -31.64 70.29 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 9.1 m-30 -65.63 -27.26 68.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 2.1 tmm_? -60.61 -30.27 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 41.9 m -104.12 19.27 20.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.197 0.522 . . . . 0.0 111.175 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -98.24 -164.99 31.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.832 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.52 ' OE2' HG23 ' A' ' 176' ' ' ILE . 79.1 tt0 -155.96 -75.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.055 0.427 . . . . 0.0 110.899 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.609 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -89.81 151.16 21.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.523 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' HG ' ' A' ' 123' ' ' LEU . 88.5 m-85 -134.76 134.46 40.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.0 0.429 . . . . 0.0 111.484 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 mt -103.78 125.1 50.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.538 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -97.21 107.64 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.175 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.02 132.78 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.977 0.418 . . . . 0.0 110.849 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.628 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.1 p90 -153.51 165.19 36.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.917 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -116.39 138.81 51.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.09 3.62 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.86 0.362 . . . . 0.0 111.682 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.527 HG23 HD13 ' A' ' 132' ' ' LEU . 2.2 p -94.56 -10.6 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.113 0.482 . . . . 0.0 109.73 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.91 108.91 14.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.859 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -68.16 -24.16 64.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.88 -57.64 11.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.993 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 p -70.27 -24.16 63.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -64.32 -48.06 77.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.461 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 m -65.76 -31.02 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.159 0.504 . . . . 0.0 110.773 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.18 68.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.12 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 68.3 p -55.8 -39.48 71.36 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.792 0.33 . . . . 0.0 111.177 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.17 85.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.323 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.51 -43.16 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.559 ' O ' HG13 ' A' ' 111' ' ' ILE . 24.2 m-85 -57.44 -51.41 69.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -74.16 -33.73 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.72 -174.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.15 -37.53 75.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.941 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.0 -30.66 71.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.186 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 108' ' ' ARG . 85.3 mt -63.11 -50.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.126 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.44 -22.14 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -68.08 -46.21 71.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.964 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -87.44 -20.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.702 ' HG3' HG23 ' A' ' 114' ' ' VAL . 44.1 mtmt -127.82 -102.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.24 -42.77 0.47 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.775 0.83 . . . . 0.0 112.761 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.21 34.6 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.41 ' CD ' ' HD2' ' A' ' 115' ' ' LYS . 55.0 mt-10 -97.98 -96.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.816 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -143.74 -72.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 72.9 mmtt -152.42 113.65 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG21 ' A' ' 111' ' ' ILE . 70.5 mt -89.91 108.0 22.91 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-O 120.9 0.381 . . . . 0.0 110.378 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 57.4 Cg_endo -91.13 129.49 1.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.335 2.69 . . . . 0.0 112.474 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 89' ' ' PHE . 5.7 mp -124.99 164.86 19.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -150.16 120.28 7.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.237 175.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 6.9 t -88.6 124.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.228 0.537 . . . . 0.0 109.57 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.1 t -113.95 111.99 38.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.508 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.76 112.38 3.7 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.08 163.64 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.099 0.449 . . . . 0.0 109.837 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.672 ' HE2' ' N3 ' ' A' ' 500' ' ' GNP . 1.2 mptm? 64.17 75.11 0.39 Allowed 'General case' 0 C--O 1.224 -0.26 0 O-C-N 123.698 0.624 . . . . 0.0 112.053 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.4 m -96.03 -2.52 46.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.372 0.606 . . . . 0.0 109.389 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -78.94 -3.31 44.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.846 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.594 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.07 -45.11 9.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 58.52 -78.97 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.136 0.974 . . . . 0.0 112.96 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.35 -14.22 62.72 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.657 0.383 . . . . 0.0 111.941 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 92.4 mtt180 -93.72 11.82 27.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.122 -177.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.685 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 48.7 ttp180 -65.91 113.43 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -94.19 -33.19 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.278 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 3.4 p -101.93 125.81 35.72 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.226 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 50.5 Cg_exo -56.69 110.54 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.734 2.289 . . . . 0.0 111.946 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -67.98 -16.61 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.72 -52.75 63.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.491 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 7.7 pt-20 -74.85 -23.34 58.41 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.089 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 146' ' ' LYS . . . -65.1 -33.51 76.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 110.266 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.2 mtp180 -70.46 -39.29 74.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.685 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 m -60.74 -31.17 70.5 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.641 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 69.9 mmtt -60.07 -47.39 86.07 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.44 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.997 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.29 -48.01 81.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.436 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.75 -42.24 95.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.63 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -76.66 -23.76 53.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.82 40.73 6.59 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.191 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 123' ' ' LEU . 14.1 m -134.79 -170.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.423 . . . . 0.0 110.932 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.756 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -111.19 158.73 18.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.554 176.477 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -126.03 120.18 29.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.82 127.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.745 0.307 . . . . 0.0 110.813 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.53 127.85 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 58.5 p -136.18 171.38 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 111.195 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.9 m -153.31 106.31 2.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.597 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.57 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.653 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.542 ' HB2' ' C2 ' ' A' ' 500' ' ' GNP . 23.4 tptm -62.11 -36.44 81.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.7 p -103.29 3.49 35.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 59.41 32.47 21.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.587 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.05 116.72 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.505 -175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.28 17.54 10.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.801 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.45 -38.15 80.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.234 0.54 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.73 -28.22 62.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.559 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 63.8 tttm -60.64 -54.08 49.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.519 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.87 -32.82 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -170.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -70.58 -52.88 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.896 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -68.71 -31.72 71.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 3.0 t70 -62.41 -51.66 66.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.69 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 88' ' ' GLY . 7.3 tt -68.44 -34.63 76.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.305 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.633 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.9 mtm -63.28 -30.49 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.41 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 19.5 mmm180 -66.03 -44.35 84.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.83 -39.35 74.06 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.322 0.582 . . . . 0.0 111.164 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.6 mt -60.17 -26.18 35.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.696 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.406 ' HD2' ' NH1' ' A' ' 174' ' ' ARG . 77.4 mtt180 -71.16 -52.16 20.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.9 m -60.99 -38.72 86.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.382 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -54.74 -54.06 46.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.232 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -72.13 -28.61 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.948 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.69 -47.96 81.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.7 m 58.88 117.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 O-C-N 124.303 1.002 . . . . 0.0 111.937 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -78.79 122.59 26.23 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.584 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -117.52 7.15 12.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.801 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.5 pttm . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.533 -179.394 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 14.5 p -167.74 102.59 0.48 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -61.92 1.65 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 109.815 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.7 m -82.2 -34.34 28.99 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.958 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.665 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 95.7 mt-30 -62.01 -27.59 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 178.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -61.77 -50.88 70.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.475 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.05 88.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.921 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.547 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -64.18 -52.44 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -60.41 -41.77 94.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.665 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.2 mt-10 -62.34 -41.4 98.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.448 . . . . 0.0 110.55 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.438 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 17.3 tp10 -70.51 -34.16 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 398' ' ' ILE . 91.5 mt -58.2 -49.4 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.5 -36.5 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.1 ttm180 -65.77 -48.32 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.446 ' HB2' HD13 ' B' ' 436' ' ' LEU . 89.1 mm-40 -68.2 -34.86 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.562 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.78 -42.06 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.974 173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -67.37 -44.63 78.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.2 mt -57.48 -51.42 69.53 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.147 0.498 . . . . 0.0 110.274 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.45 ' N ' HG11 ' B' ' 432' ' ' VAL . 30.2 tp -65.54 -36.63 84.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.417 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -65.46 -39.81 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 33.8 t -59.78 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.87 -38.34 75.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.918 175.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.03 -48.47 79.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.212 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -75.35 -44.44 45.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.051 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.97 -48.64 79.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.559 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.584 ' HB3' ' OD1' ' A' ' 81' ' ' ASN . 11.3 mp -74.55 -26.42 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.667 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.15 -23.6 62.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.18 -3.17 81.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.112 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.35 22.54 14.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 65.0 mt -126.4 115.68 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.69 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 21.2 pttp -133.08 164.18 27.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.173 0.511 . . . . 0.0 110.475 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.676 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.4 t70 -147.25 164.0 34.58 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.57 -35.65 78.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.905 0.384 . . . . 0.0 110.651 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.6 m -63.92 -34.14 77.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.151 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.5 mmtt -70.63 -50.51 36.15 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.833 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.54 -47.17 85.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.236 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 90.2 mt-10 -64.16 -48.04 77.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.626 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.745 ' O ' HG23 ' B' ' 432' ' ' VAL . 17.9 mmt180 -61.94 -36.7 82.19 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.873 -0.149 . . . . 0.0 111.028 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' B' ' 429' ' ' LEU . 7.5 mt -55.93 -46.28 78.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.606 0.241 . . . . 0.0 111.297 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.723 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 11.6 m95 -65.17 -43.46 91.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.587 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.775 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 5.0 mm-40 -57.17 -50.46 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.132 0.27 . . . . 0.0 111.269 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 428' ' ' ARG . 18.0 t -60.36 -43.44 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 CA-C-O 121.469 0.652 . . . . 0.0 110.1 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -56.86 -48.22 78.61 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.67 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.775 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 43.0 mtp180 -55.77 -42.61 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.008 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 432' ' ' VAL . 25.7 mt -65.43 -52.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.672 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' B' ' 405' ' ' GLN . 28.5 tp -57.34 -43.26 83.26 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.5 t -72.29 -39.6 68.19 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.036 -0.415 . . . . 0.0 111.348 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.4 78.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 402' ' ' ILE . 35.0 tp -67.96 -34.95 77.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.794 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.52 -41.92 86.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.497 0.665 . . . . 0.0 109.414 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -68.75 -40.85 79.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.104 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 30.3 mmmt -58.34 -32.48 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.32 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.464 ' HA ' HG21 ' B' ' 398' ' ' ILE . 59.9 tp -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.164 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' B' ' 444' ' ' ARG . 0.2 OUTLIER -81.94 -4.84 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.194 177.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.7 tp10 -86.03 -36.17 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.962 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.672 ' N3 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.413 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.685 ' HG2' ' HB2' ' A' ' 12' ' ' LEU . 8.1 tt0 -134.25 23.56 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.597 0.713 . . . . 0.0 109.384 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -58.92 -47.19 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -77.68 0.92 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.562 0.696 . . . . 0.0 111.006 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.685 ' HB2' ' HG2' ' A' ' 9' ' ' GLN . 63.1 mt -111.59 5.63 19.51 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.883 178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.99 7.51 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 110.261 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -134.25 124.4 25.85 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.828 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -124.22 137.65 54.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.915 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 1.3 tppt? -114.52 107.17 15.17 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.587 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.12 130.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.333 0.587 . . . . 0.0 111.113 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' HZ2' ' B' ' 430' ' ' TRP . 65.2 mt -117.08 113.3 42.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 178.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.5 ttm -93.07 118.28 31.02 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -105.89 170.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.442 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.8 169.55 42.69 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 t -74.15 -25.83 59.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.021 0.41 . . . . 0.0 110.217 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.77 -63.07 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -149.05 -63.61 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.307 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t 70.55 -59.58 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.644 0.778 . . . . 0.0 111.03 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.6 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . 157.69 32.65 0.02 OUTLIER Glycine 0 C--N 1.315 -0.604 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.435 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' HG21 ' A' ' 92' ' ' VAL . 34.5 mtmt -62.55 -47.34 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 0.0 111.398 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -63.12 -18.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.834 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.642 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.33 -51.98 21.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.928 0.394 . . . . 0.0 110.534 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.34 -36.21 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.446 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' MET . 68.4 p -72.3 -40.36 67.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.938 -177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 ' HB ' ' A' ' 40' ' ' VAL . 32.5 tp -65.03 -36.15 83.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.829 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.7 mm100 -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.101 0.476 . . . . 0.0 109.774 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -69.55 -23.97 63.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.782 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' THR . 66.8 mtp -82.33 -57.33 3.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.181 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 73.5 m-85 -112.32 -4.25 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 30.6 t70 74.16 -16.05 0.55 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.813 0.445 . . . . 0.0 112.197 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.32 156.41 16.45 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.082 -0.386 . . . . 0.0 110.388 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -78.82 135.9 37.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.096 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.962 ' HB ' HD23 ' A' ' 32' ' ' LEU . 4.2 p -73.12 127.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.098 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -100.7 -42.97 6.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.89 126.86 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.327 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -175.59 116.05 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.894 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 mm-40 -120.8 -48.23 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.894 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 9.1 Cg_endo -49.61 97.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.766 2.311 . . . . 0.0 113.414 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.602 ' HA ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -149.5 47.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.324 176.147 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' HG21 ' A' ' 78' ' ' ILE . 56.8 mtpt -79.51 -56.44 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.19 24.46 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.71 0.767 . . . . 0.0 109.218 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.6 t0 -96.15 116.69 29.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.603 -175.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -125.2 159.45 31.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.537 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.633 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 55.6 m-85 -132.69 144.55 50.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.594 0.712 . . . . 0.0 112.68 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -103.26 109.82 21.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.088 -1.414 . . . . 0.0 109.808 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -106.01 139.6 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.963 0.411 . . . . 0.0 110.934 -176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 37.6 ttmt -111.14 126.74 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.9 m -138.81 162.87 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -133.93 126.31 50.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.407 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -112.72 98.22 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.481 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 45.29 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.45 1.094 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.33 -107.87 0.47 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.858 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.3 pt-20 -119.73 157.18 29.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 86.9 mt-10 -59.88 125.86 25.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.335 0.588 . . . . 0.0 111.265 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.6 t -108.41 148.07 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.637 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -113.96 148.11 37.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 111.251 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -148.57 123.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.088 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.667 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 37.1 m-20 -95.58 131.08 42.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.05 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.56 116.73 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.91 125.31 48.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -104.7 104.46 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 p -78.43 138.43 38.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 111.54 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.44 63.41 4.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.366 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -124.96 2.68 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.602 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 76.2 -45.7 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.775 0.83 . . . . 0.0 112.133 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB2' HD13 ' A' ' 72' ' ' LEU . 1.5 m-20 -46.68 -65.93 0.48 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HB3' HD12 ' A' ' 78' ' ' ILE . 96.5 m-85 -78.78 59.56 2.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.209 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.7 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.776 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.91 -24.7 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.193 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 51.6 mt -97.79 -28.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -92.99 -65.85 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.53 -49.37 33.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.939 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 13.0 m120 -74.34 -18.3 60.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.171 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -86.86 -21.42 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 122.372 -0.205 . . . . 0.0 111.324 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.8 m-30 -58.57 -20.53 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.744 0.307 . . . . 0.0 111.625 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -56.71 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.68 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.5 m -84.59 26.34 0.81 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.0 138.85 14.11 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.18 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 65.9 mt-10 -81.22 -74.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.714 0.293 . . . . 0.0 111.246 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.507 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -102.48 151.24 18.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.816 -173.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -126.76 129.94 49.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.944 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -106.02 125.51 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 123' ' ' LEU . 59.1 mt -100.84 108.14 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.99 HG12 ' HB ' ' A' ' 126' ' ' VAL . 34.9 m -119.47 137.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.058 0.456 . . . . 0.0 110.85 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -151.91 169.61 21.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 23.0 t -110.44 144.69 38.85 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.79 -10.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.35 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.962 HG23 HD13 ' A' ' 132' ' ' LEU . 20.5 p -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 10.1 mm-40 -81.61 87.08 6.29 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.212 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.38 -24.58 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.189 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.67 -28.94 67.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.039 0.447 . . . . 0.0 110.638 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.5 m -69.11 -23.14 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.976 0.417 . . . . 0.0 110.347 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -76.94 -31.81 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -62.84 -39.4 94.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.258 0.551 . . . . 0.0 110.747 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.6 60.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.616 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 48.1 p -55.95 -42.08 75.66 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.555 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.88 68.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.71 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.62 -29.65 66.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -60.67 -38.66 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.557 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -58.93 -58.77 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.681 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.687 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 4.8 pt-20 -61.83 -33.4 74.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.201 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -63.52 -41.33 98.49 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.98 0.419 . . . . 0.0 110.386 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 107' ' ' PHE . 79.5 mt -68.18 -42.05 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.241 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -68.25 -16.48 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 86.2 mtt180 -69.36 -31.23 69.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.981 0.419 . . . . 0.0 110.446 175.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG21 ' CB ' ' A' ' 83' ' ' PHE . 18.9 m -102.95 -27.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.045 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 26.4 mtmm -143.46 104.33 4.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.495 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.36 -36.25 3.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.285 0.565 . . . . 0.0 109.539 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.97 64.5 2.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -107.53 -167.3 1.24 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.819 -171.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 18.5 m-20 -82.96 -87.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB3' ' HG3' ' A' ' 179' ' ' LYS . 2.9 mptp? -144.44 94.02 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.242 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 118' ' ' GLU . 71.7 mt -66.28 112.33 8.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 0.0 110.982 175.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.1 Cg_endo -95.29 121.09 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.812 3.008 . . . . 0.0 112.19 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -110.95 151.79 27.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.574 ' CD1' ' HG3' ' A' ' 153' ' ' GLN . 3.2 tp -150.24 121.97 8.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.556 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.8 t -92.77 118.85 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.99 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -114.57 125.45 71.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.689 -176.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.41 110.49 3.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.542 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 94' ' ' SER . 52.2 t30 -107.0 150.59 26.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' O ' HD11 ' A' ' 132' ' ' LEU . 30.9 mmtp 57.74 81.15 0.15 Allowed 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.621 0.575 . . . . 0.0 109.582 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.2 p -118.73 9.17 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.446 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.65 8.28 10.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.489 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -124.1 54.65 1.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.762 -178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.8 -31.52 71.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.344 -174.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.44 -17.48 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.705 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -95.96 2.35 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.314 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 136' ' ' ARG . 39.2 ttm180 -59.54 114.29 2.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.854 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -98.3 -18.44 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.653 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.93 109.78 60.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.301 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.67 119.96 7.42 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.06 1.84 . . . . 0.0 110.265 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.505 HG13 ' HE2' ' A' ' 154' ' ' TYR . 10.0 t -57.0 -24.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.978 0.418 . . . . 0.0 110.466 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.27 -54.81 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.405 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.16 -23.79 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.527 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.33 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.2 0.524 . . . . 0.0 110.018 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.452 ' CD ' HG12 ' A' ' 140' ' ' VAL . 53.3 mtp180 -69.01 -36.67 78.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.187 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -58.16 -45.19 87.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.523 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.1 mmtt -61.77 -41.58 97.88 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.089 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.13 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.26 -40.78 90.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.581 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.94 -36.25 80.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -87.73 -12.22 45.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.16 35.43 27.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.95 -177.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.907 0.384 . . . . 0.0 111.719 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 124' ' ' LEU . 7.0 pt20 -104.51 141.47 36.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.994 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.4 t80 -122.27 113.95 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.149 0.499 . . . . 0.0 110.1 171.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.82 142.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.441 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.7 139.68 31.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.051 0.453 . . . . 0.0 110.59 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 67.3 p -131.06 164.42 25.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.6 -177.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.1 t -145.5 134.19 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.202 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.72 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.433 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.31 -56.99 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.907 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 35.0 p -92.93 -7.83 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 55.4 74.29 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.711 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -123.57 122.48 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.613 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 47.2 m-80 66.97 16.32 10.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.894 0.746 . . . . 0.0 111.96 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.5 -56.33 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.673 0.273 . . . . 0.0 111.026 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.62 -35.5 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.356 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.42 -58.99 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.796 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.49 -26.86 31.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.6 -56.1 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.499 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.453 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.7 m-85 -66.23 -33.03 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.463 -175.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -57.26 -51.35 69.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.92 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 122' ' ' PRO . 37.3 tp -68.39 -39.53 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.046 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.35 -31.51 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.621 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.2 OUTLIER -74.0 -39.76 63.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.888 -0.142 . . . . 0.0 110.934 176.173 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.63 -31.75 72.64 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -56.21 -30.3 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.824 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.94 -51.57 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.179 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.16 -36.56 79.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.885 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB3' ' A' ' 120' ' ' LYS . 14.1 mptt -58.83 -52.93 63.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.276 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.07 -35.63 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.41 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 46.1 mtt -66.39 -35.54 80.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 m 62.91 16.28 9.03 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.346 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -97.15 70.87 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.56 0.695 . . . . 0.0 110.091 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.1 t30 179.7 53.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.248 0.982 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.056 -170.877 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.896 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 6.1 p -118.98 83.19 1.98 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.055 0.455 . . . . 0.0 110.535 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' B' ' 395' ' ' GLN . 37.7 mt-10 -62.95 117.91 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.167 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.533 ' O ' HG12 ' B' ' 398' ' ' ILE . 37.9 m 72.29 -40.05 0.46 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.495 0.497 . . . . 0.0 111.316 -176.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.896 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 82.5 mt-30 -58.56 -29.58 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -56.98 -55.45 34.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.417 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.79 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.012 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 394' ' ' THR . 47.7 mm -59.28 -51.31 74.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.591 0.234 . . . . 0.0 110.51 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' B' ' 402' ' ' ILE . 93.3 mttt -59.48 -40.8 88.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.381 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.3 mt-10 -64.37 -36.38 83.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 0.0 110.628 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 5.7 mm-40 -74.48 -37.2 63.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' B' ' 439' ' ' LEU . 99.5 mt -53.25 -53.01 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 172.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -65.66 -32.38 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -60.84 -52.97 62.82 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.8 mm-40 -65.62 -33.66 76.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.781 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.3 mt-10 -59.52 -44.53 93.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.22 -53.45 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.28 -48.66 73.71 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.665 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 21.9 tp -65.74 -47.55 74.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.433 0.635 . . . . 0.0 110.358 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.689 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 53.8 t30 -56.32 -50.06 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.334 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.1 m -59.81 -49.55 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.13 -51.0 71.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.723 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 9.4 p80 -68.4 -31.19 70.36 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.552 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.4 mtt180 -68.98 -47.09 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.681 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -52.23 66.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -178.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 429' ' ' LEU . 10.4 mp -62.24 -26.57 68.45 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.05 -19.62 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.287 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.61 86.88 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.19 1.08 51.13 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.23 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.2 mt -99.81 115.81 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -133.9 153.33 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 110.492 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.1 t70 -148.98 163.01 38.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.162 0.506 . . . . 0.0 110.475 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -63.52 -31.61 72.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.2 mmtt -69.41 -51.1 39.67 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.543 -176.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.83 -51.43 64.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.68 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.6 mmt180 -61.08 -44.74 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.127 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.553 HD11 HD22 ' B' ' 416' ' ' LEU . 16.2 mt -55.57 -53.3 58.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.544 0.528 . . . . 0.0 111.818 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.68 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -66.79 -36.88 83.44 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.416 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.447 ' O ' HG13 ' B' ' 435' ' ' ILE . 28.7 mm-40 -66.36 -55.44 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.68 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.5 p -62.66 -33.03 57.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.082 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -55.73 -55.63 29.96 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.365 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.47 -25.06 63.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.821 -177.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.5 mt -72.79 -42.61 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.82 -44.24 90.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.633 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 14.7 t -72.1 -31.46 66.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.983 0.421 . . . . 0.0 110.436 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.12 -36.88 84.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.69 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.59 -45.31 92.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.858 175.645 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -57.73 -40.89 80.7 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.321 0.581 . . . . 0.0 110.429 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.14 -46.15 88.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.919 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 32.2 mmmt -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.55 -38.98 88.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.359 . . . . 0.0 110.319 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.519 0.676 . . . . 0.0 109.477 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 1.2 tp10 -75.93 -35.6 59.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.276 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.842 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.7 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -111.54 141.5 45.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.211 0.529 . . . . 0.0 111.176 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 t -164.2 -40.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.38 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -97.74 28.53 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.842 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -126.98 23.87 6.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.151 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.634 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -105.19 11.04 33.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.695 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -141.08 108.06 5.43 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -114.94 143.72 44.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.679 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.96 116.08 31.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.192 178.197 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 64' ' ' ILE . 92.8 t -121.11 123.32 69.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.897 0.38 . . . . 0.0 110.737 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.39 130.47 64.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmt -90.18 122.92 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.288 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.47 142.25 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.254 0.55 . . . . 0.0 110.923 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.8 161.23 24.74 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -66.96 107.9 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.853 0.327 . . . . 0.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 67.15 -88.02 0.15 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.137 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.6 47.99 0.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.73 60.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 112.029 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.656 ' HA2' ' H8 ' ' A' ' 500' ' ' GNP . . . 95.6 34.9 5.84 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.167 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 92' ' ' VAL . 20.9 pttp -120.0 2.38 10.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.728 0.764 . . . . 0.0 112.12 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -104.69 -26.57 12.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.519 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.71 -49.77 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.713 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.74 -35.11 80.0 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.675 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 p -67.39 -44.13 79.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.199 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.1 -37.11 79.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.106 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' NE2' ' HG2' ' A' ' 162' ' ' ARG . 28.4 mt-30 -71.12 -28.91 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.274 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.63 -39.61 67.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.678 0.275 . . . . 0.0 111.356 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.725 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mpp? -90.72 -48.36 7.1 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -98.58 -24.73 14.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 64.35 63.67 0.75 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.552 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.26 149.75 17.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.845 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.96 136.74 38.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.74 118.04 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.873 0.844 . . . . 0.0 111.472 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -123.02 -37.08 2.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.015 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -134.77 85.37 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.757 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -173.97 104.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.89 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.662 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.6 mm-40 -100.83 -59.64 0.11 Allowed Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.91 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 94.1 Cg_exo -17.92 -99.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 125.262 3.975 . . . . 0.0 115.706 -166.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 1.9 p 44.13 28.36 0.26 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -86.98 -57.51 2.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.601 0.715 . . . . 0.0 109.353 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.63 8.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.294 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CG ' ' HZ1' ' B' ' 440' ' ' LYS . 15.6 t70 -96.85 104.93 16.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.809 -171.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -115.28 176.32 5.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.55 159.12 44.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 65' ' ' ASP . 31.7 mtp180 -107.1 137.96 44.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.406 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.725 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.2 tptt -128.81 134.46 48.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.733 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 23.4 ttmm -118.17 130.75 56.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 110.239 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.09 149.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.875 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.3 p -119.86 129.99 74.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.296 0.57 . . . . 0.0 110.754 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 170' ' ' PHE . 95.2 mt -118.96 99.4 6.71 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.415 175.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 75.61 -37.21 0.32 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.02 0.825 . . . . 0.0 112.473 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.87 -102.16 1.62 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.795 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 56' ' ' VAL . 21.3 pt-20 -97.49 153.57 18.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.03 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 42.1 mt-10 -67.53 109.1 3.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.545 . . . . 0.0 109.902 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 13' ' ' ALA . 89.8 t -105.97 137.49 35.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.031 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 17.3 pt20 -113.41 139.57 48.79 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.518 0.675 . . . . 0.0 111.25 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 17' ' ' VAL . 6.9 tt -123.05 121.48 63.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.796 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 13.0 m-20 -93.94 130.26 40.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.43 116.26 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.635 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.01 108.52 18.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.89 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -93.91 125.49 38.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -86.57 145.83 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.47 101.51 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.837 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -78.1 68.81 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.575 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -141.48 173.04 11.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.29 5.99 49.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.6 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -87.37 -82.58 0.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.886 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.7 68.38 6.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.216 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.82 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.807 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.76 -10.43 56.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.408 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.6 mt -98.3 -23.5 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.501 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -92.27 -66.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.071 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.1 -45.24 42.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.51 -171.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -72.92 -17.47 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.82 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -82.28 -15.17 53.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB2' HG21 ' A' ' 114' ' ' VAL . 20.7 m-85 -69.39 -16.69 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -50.9 -58.06 6.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -171.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -105.91 27.06 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.031 0.444 . . . . 0.0 111.45 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.31 123.14 7.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.549 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 30.4 mt-10 -77.47 -72.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.908 0.354 . . . . 0.0 110.237 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.48 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -95.1 138.29 13.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.803 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 121' ' ' ILE . 53.9 m-85 -121.88 126.46 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -104.48 111.98 24.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.651 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 104' ' ' THR . 11.2 mp -88.4 107.83 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.731 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.897 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.1 m -106.58 139.65 27.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -154.68 158.31 39.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.564 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.829 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -96.43 147.98 23.26 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.494 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.12 10.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.855 -176.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 132' ' ' LEU . 15.9 p -114.54 -17.25 11.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.015 0.436 . . . . 0.0 110.984 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.829 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 31.9 mm-40 -95.09 104.46 16.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.715 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -71.64 -35.48 70.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.38 -48.15 81.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.954 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 m -60.93 -35.51 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.67 -42.57 98.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.4 m -73.26 -32.87 64.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.406 . . . . 0.0 110.82 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.05 66.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.032 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.442 ' HB ' HD23 ' A' ' 91' ' ' LEU . 69.1 p -55.97 -38.95 71.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.018 0.437 . . . . 0.0 110.474 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.48 87.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.243 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -56.52 -46.31 80.63 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.2 m-85 -57.8 -51.8 68.1 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.428 ' O ' HD13 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -59.83 -43.77 94.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.098 -178.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.49 -43.29 90.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.893 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -69.76 -31.71 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 0.0 110.764 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.7 mt -59.62 -46.35 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 172.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.718 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -75.41 -3.16 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.871 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 113' ' ' ARG . 9.0 tpp180 -79.25 -36.46 39.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.439 . . . . 0.0 109.825 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB2' ' A' ' 83' ' ' PHE . 31.0 m -99.07 -34.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 54.9 mtpt -124.29 93.48 3.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.854 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 9.56 23.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 119' ' ' ASP . 72.2 mm-40 -115.49 92.76 4.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 121' ' ' ILE . 52.6 mt-10 -67.1 14.21 0.05 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.129 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 117' ' ' GLU . 8.9 t70 -60.66 -36.16 78.01 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.232 0.613 . . . . 0.0 111.192 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.971 ' HE3' ' HA ' ' A' ' 180' ' ' LYS . 46.9 mmtm -124.08 39.38 3.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.512 HG22 HD11 ' A' ' 123' ' ' LEU . 51.4 mt -128.98 87.84 53.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.278 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 9.9 Cg_endo -91.3 127.3 1.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.345 2.697 . . . . 0.0 111.327 171.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 152' ' ' VAL . 5.1 mp -115.16 135.96 53.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 110.855 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.833 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.7 tp -128.05 117.6 21.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.172 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 117.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.596 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.693 ' HB ' HG12 ' A' ' 92' ' ' VAL . 47.0 t -105.97 109.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.706 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -86.3 97.22 2.2 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.14 175.74 5.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 131' ' ' ASP . 22.0 tptm 62.46 25.76 15.35 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.725 0.64 . . . . 0.0 109.932 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -72.44 29.42 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.941 0.877 . . . . 0.0 110.964 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.3 t70 -91.24 -11.13 39.1 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 96' ' ' THR . 26.2 mt -96.22 41.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.201 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.31 -21.28 61.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.622 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.783 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 4.4 pt-20 -90.58 -16.13 29.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.653 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.783 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 85.9 mtt180 -121.89 13.88 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 -173.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.15 114.07 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.906 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -93.4 -28.92 15.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.615 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.429 HG12 ' C ' ' A' ' 95' ' ' ILE . 10.6 p -111.5 122.22 38.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.107 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.598 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 40.6 Cg_exo -58.64 124.87 16.74 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.068 2.512 . . . . 0.0 112.599 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.83 -25.03 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.59 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -64.69 -42.45 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.598 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.3 pt-20 -81.52 -18.03 46.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.568 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.51 68.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.6 mtp180 -62.02 -42.16 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.155 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -57.19 -33.5 67.55 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.219 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.05 -46.01 83.02 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.672 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.89 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.593 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.26 -41.43 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.135 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -68.16 -42.1 80.55 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.56 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -78.02 -22.08 49.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.196 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.19 35.55 14.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.42 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 123' ' ' LEU . 27.1 m -123.32 -179.12 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.833 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.2 pm0 -108.07 149.31 28.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.161 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -118.07 121.02 39.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.835 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -125.72 130.3 72.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.9 140.18 30.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.009 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.4 p -126.91 149.71 49.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.146 0.498 . . . . 0.0 110.646 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -133.56 107.78 8.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.959 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.447 ' H ' ' C6 ' ' A' ' 500' ' ' GNP . . . -78.53 -6.2 54.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.528 178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -65.52 -43.91 88.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 110.325 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -121.01 9.44 10.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.334 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.467 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 68.9 mtm180 57.51 59.25 3.37 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 121.414 0.626 . . . . 0.0 111.2 -177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -109.33 125.4 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.404 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 65.52 17.79 11.05 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.662 0.785 . . . . 0.0 112.041 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 62.1 t -67.08 -51.43 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.577 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.9 -38.16 82.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.66 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.309 -172.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.3 m -57.65 -34.6 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.38 -46.47 32.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 57' ' ' LEU . 42.2 m-85 -67.0 -46.25 75.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.505 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.25 -41.13 92.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.7 tp -62.59 -43.85 97.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.381 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.6 -30.69 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.527 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -63.25 -48.8 76.67 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.814 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.71 -36.34 76.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.291 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.7 mt -58.84 -39.24 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -62.52 -51.72 66.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.899 0.38 . . . . 0.0 110.007 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -59.53 -43.04 93.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.223 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.0 -37.38 85.78 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.971 ' HA ' ' HE3' ' A' ' 120' ' ' LYS . 46.6 mtpt -74.41 -44.61 51.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 59.4 mtm -73.51 -23.65 60.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.594 0.235 . . . . 0.0 110.997 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 27.4 t 67.75 12.18 8.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.519 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.59 92.08 8.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.338 0.589 . . . . 0.0 110.15 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -91.65 -11.72 36.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.675 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -178.388 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 33.1 p 46.89 -84.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.44 1.096 . . . . 0.0 113.54 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 64.83 -83.67 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 123.23 0.612 . . . . 0.0 110.996 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.571 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.6 m -66.61 -36.99 83.93 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.191 0.52 . . . . 0.0 109.702 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.434 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 79.0 mt-30 -61.79 -28.16 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -58.95 -51.97 67.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.364 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.27 94.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.833 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.571 HG12 ' O ' ' B' ' 394' ' ' THR . 50.6 mm -57.77 -49.88 79.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.692 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.7 mttt -59.15 -40.19 84.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.2 mt-10 -62.28 -44.04 97.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.604 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 33.8 mt-10 -69.92 -36.18 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.443 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.584 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.4 mt -54.48 -52.91 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 173.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.518 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 22.4 mmm180 -61.45 -35.1 76.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.65 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -62.53 -44.2 96.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.5 mm-40 -74.35 -32.77 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -177.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 47.0 mt-10 -59.3 -44.13 92.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.135 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.66 -49.45 75.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.097 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' B' ' 432' ' ' VAL . 89.0 mt -57.37 -47.61 81.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.042 0.449 . . . . 0.0 110.76 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.86 -48.29 77.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.998 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.1 t30 -60.27 -35.27 75.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.177 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 411' ' ' SER . . . . . 0.464 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 8.7 t -62.88 -55.22 28.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.451 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -56.92 -35.37 68.96 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.045 0.45 . . . . 0.0 110.598 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.659 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 22.0 m170 -61.26 -33.15 73.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.148 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.1 mtm180 -78.05 -52.85 8.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 0.0 111.087 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.46 -51.6 69.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.033 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.2 mp -69.36 -26.58 64.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 111.312 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.3 tt0 -63.41 -23.45 67.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.823 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.53 -5.63 78.61 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.385 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.15 -1.73 31.35 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.152 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.4 mt -105.65 115.84 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.707 -0.29 . . . . 0.0 110.586 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 155.83 47.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.084 0.468 . . . . 0.0 110.538 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.5 t70 -148.31 168.23 23.1 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.76 -39.64 92.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 20.2 m -62.91 -32.65 73.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.708 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' B' ' 416' ' ' LEU . 30.9 mmtt -73.0 -52.43 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.84 -45.19 90.62 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -72.79 -34.21 66.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 424' ' ' SER . 17.6 tpt180 -66.45 -35.01 79.23 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.483 HD11 HD22 ' B' ' 416' ' ' LEU . 9.4 mt -56.14 -53.94 51.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.776 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 65.3 m95 -64.71 -30.9 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.627 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 43.8 mt-10 -64.47 -56.63 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.171 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.641 HG21 ' HB2' ' B' ' 408' ' ' LEU . 4.0 p -63.61 -33.82 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.285 0.564 . . . . 0.0 110.407 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -55.42 -53.74 52.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.486 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.627 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 0.6 OUTLIER -67.57 -26.69 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.714 -177.658 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.2 mt -72.65 -41.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.473 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' B' ' 405' ' ' GLN . 51.0 tp -59.23 -45.64 90.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -73.26 -25.36 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.884 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.54 79.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.584 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.75 -40.23 87.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.549 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.514 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 92.8 mttt -56.74 -44.14 81.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.173 0.511 . . . . 0.0 110.405 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' B' ' 445' ' ' GLU . 1.0 OUTLIER -63.6 -44.92 92.6 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.772 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.526 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.5 mmmm -61.06 -36.27 79.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.788 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.448 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.5 tp -63.25 -47.35 82.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.673 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -81.97 -5.69 58.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 441' ' ' ARG . 37.2 tt0 -84.48 -37.54 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.299 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.671 -178.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.656 ' H8 ' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.877 ' HB3' HD21 ' A' ' 12' ' ' LEU . 56.2 tt0 -169.38 -68.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -169.14 -86.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -92.44 50.05 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 0.0 111.92 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.877 HD21 ' HB3' ' A' ' 9' ' ' GLN . 1.1 pt? -149.15 22.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.235 0.54 . . . . 0.0 110.692 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.4 4.0 50.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.769 0.795 . . . . 0.0 109.783 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.31 136.16 49.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.851 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' HB3' HD12 ' A' ' 176' ' ' ILE . 86.9 m-70 -135.35 144.97 46.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -138.86 107.46 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.19 128.21 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.246 -173.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG21 ' HE1' ' A' ' 83' ' ' PHE . 53.5 mt -110.1 120.34 60.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.565 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 53.4 ttm -102.23 121.28 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -99.83 169.93 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.76 -178.97 46.36 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -93.89 13.83 21.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.184 0.516 . . . . 0.0 110.974 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.92 -63.63 0.31 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.485 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.16 -114.5 1.37 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.5 t 69.86 -49.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 123.383 0.673 . . . . 0.0 111.07 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.522 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 117.23 35.5 1.1 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.7 pttp -81.85 -1.17 46.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.887 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -92.04 -8.95 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.154 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.8 -55.86 6.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' HG ' HG13 ' A' ' 165' ' ' VAL . 7.5 mp -60.29 -35.61 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.822 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -66.71 -47.13 73.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.312 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HB3' HG22 ' A' ' 40' ' ' VAL . 9.8 tt -65.47 -41.03 93.8 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 50.1 mt-30 -62.4 -33.24 74.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -73.43 -40.92 63.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtp -72.66 -50.03 27.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 1.22 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.655 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 63.12 19.75 11.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 14.3 pt-20 -135.78 172.93 12.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 110.461 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -76.38 150.46 36.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 109.958 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 32' ' ' LEU . 56.9 t -73.01 107.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.719 -175.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -74.54 -50.57 17.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.391 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -160.27 145.77 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.7 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -173.16 110.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.12 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.3 mt-10 -102.04 -63.43 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 24.3 Cg_exo -61.42 113.47 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.286 1.991 . . . . 0.0 113.228 -170.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -158.04 47.61 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.594 175.277 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' A' ' 72' ' ' LEU . 13.7 mmmm -87.21 -56.94 3.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.362 0.601 . . . . 0.0 109.666 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.22 18.05 8.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.374 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.0 m-20 -84.72 88.97 7.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.233 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -96.1 142.09 28.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.57 169.81 16.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.115 0.483 . . . . 0.0 111.868 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -118.04 150.36 39.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.27 -170.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -135.92 129.79 32.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.621 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -101.79 116.8 33.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.227 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 153.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -124.77 116.54 47.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.396 0.617 . . . . 0.0 110.244 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 97.7 mt -99.41 100.8 11.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.282 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 25.2 t70 76.17 -40.83 0.4 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.777 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.7 -34.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.172 -1.014 . . . . 0.0 113.727 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.59 127.97 34.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 117.397 0.599 . . . . 0.0 110.609 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.28 111.79 12.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.51 141.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.569 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -114.45 127.05 55.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.559 -172.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -126.78 136.72 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.839 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.44 134.51 49.46 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.244 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.16 114.79 47.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.567 0.223 . . . . 0.0 111.339 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 18' ' ' ILE . 53.8 tp -103.75 103.95 13.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.605 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -92.39 95.01 9.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 p -71.04 145.46 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.201 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 113.69 12.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.78 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.53 78.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.021 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -155.44 171.17 20.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.611 0.243 . . . . 0.0 110.657 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -93.26 -3.8 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.343 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 11.1 m-20 -71.46 -78.47 0.08 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.317 0.58 . . . . 0.0 110.432 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.33 71.51 5.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.262 -175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -22.99 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.088 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.19 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.808 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 56.8 mt -80.8 -18.42 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.65 0.738 . . . . 0.0 109.848 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -91.84 -63.89 1.19 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.763 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.57 -58.06 3.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.08 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 20.8 m120 -66.02 -17.37 64.64 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.808 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.88 -13.41 36.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.504 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.2 m-30 -88.31 87.76 7.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' NH2' HD12 ' B' ' 423' ' ' LEU . 35.2 ttp85 -170.39 -49.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.365 166.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 t -66.06 -16.78 64.22 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.19 137.5 14.12 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.637 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -98.42 -42.88 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.166 0.483 . . . . 0.0 112.056 -176.042 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.81 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -82.22 132.37 11.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.702 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CE2' ' HE2' ' A' ' 115' ' ' LYS . 97.2 m-85 -124.65 142.88 51.06 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.052 0.453 . . . . 0.0 111.132 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.29 111.03 20.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.084 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.32 106.79 18.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.838 HG12 ' HB ' ' A' ' 126' ' ' VAL . 28.7 m -105.45 137.39 35.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.002 0.43 . . . . 0.0 110.629 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -142.84 151.76 41.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.53 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -105.93 132.86 51.52 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 4.31 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.1 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.797 HG23 HD13 ' A' ' 132' ' ' LEU . 24.1 p -94.97 -20.92 18.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.812 0.339 . . . . 0.0 110.732 173.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -108.52 103.13 12.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.92 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -72.3 -21.19 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.065 0.459 . . . . 0.0 109.842 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.31 -54.89 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.965 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 p -67.36 -30.75 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 m -78.7 -29.28 45.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.183 0.516 . . . . 0.0 110.719 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.9 64.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.982 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 41.0 p -56.94 -41.34 78.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.39 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.511 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.19 -41.15 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.325 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -59.2 -47.99 83.27 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.142 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -54.12 -55.02 31.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.908 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.43 -28.79 69.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.867 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.43 -33.92 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 95.2 mt -65.87 -47.53 85.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.801 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.97 -7.71 48.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.49 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -78.86 -47.39 16.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.158 0.504 . . . . 0.0 110.535 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.3 m -100.37 -8.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.707 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.3 mtpp -133.14 106.18 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.403 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.34 11.95 0.72 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.837 0.351 . . . . 0.0 111.229 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -106.5 -9.43 16.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 4.6 pt-20 -98.62 -174.25 2.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.27 -66.43 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.786 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -153.11 135.48 15.02 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.518 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.3 mt -99.69 107.07 44.06 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.902 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.81 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 79.0 Cg_endo -86.19 128.62 3.16 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 123.052 2.501 . . . . 0.0 112.642 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.701 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 6.5 mp -118.72 122.85 43.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.2 tp -119.82 114.6 22.36 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.9 t -85.58 127.82 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.838 ' HB ' HG12 ' A' ' 92' ' ' VAL . 44.2 t -115.52 118.05 57.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.02 108.62 2.61 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.2 t30 -106.43 156.66 18.3 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 33.8 mmtp 67.62 28.34 7.45 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.657 0.598 . . . . 0.0 110.749 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.6 m -74.06 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.455 0.645 . . . . 0.0 110.29 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.99 20.55 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.797 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -141.41 46.17 1.72 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.389 179.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.47 -21.9 64.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.856 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.35 -23.73 67.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.325 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -105.54 7.0 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -58.9 115.34 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.55 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -91.92 -30.94 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.654 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.48 122.0 29.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.925 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.85 122.28 10.05 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.248 1.965 . . . . 0.0 111.064 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -67.86 -8.88 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.275 -175.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.28 -46.48 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.99 -16.94 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.59 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.39 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 52.9 mtm-85 -58.4 -37.52 75.47 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 0.0 110.508 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 t -57.2 -47.06 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.009 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 68.2 mmtt -62.88 -34.42 77.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.535 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -59.0 -47.48 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.19 0.519 . . . . 0.0 110.064 175.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.69 -35.7 79.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.656 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.28 -30.34 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.441 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -91.21 -6.83 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.677 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.52 26.78 62.56 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.174 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 12.0 m -115.01 -174.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -114.12 149.06 36.17 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.272 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.1 t80 -120.22 122.97 42.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.06 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.495 HG23 HD11 ' A' ' 124' ' ' LEU . 60.7 t -121.09 128.57 76.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.628 177.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.3 131.94 39.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.284 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.0 p -132.25 133.79 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 112.061 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 18.1 m -106.0 88.56 2.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.56 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -61.64 -27.32 68.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.875 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.11 -36.86 71.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.739 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 p -111.61 8.53 20.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.197 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.503 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 86.4 mtm180 61.8 20.53 11.5 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.485 -177.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.28 116.79 17.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 70.44 7.4 6.2 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.989 0.806 . . . . 0.0 112.181 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.438 HG13 ' HG ' ' A' ' 30' ' ' LEU . 79.0 t -66.05 -38.43 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 111.669 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.79 -24.7 58.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.57 -47.69 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.075 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.14 -30.75 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.7 -48.11 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.2 m-85 -69.88 -38.17 76.28 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -51.95 67.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.673 0.273 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.1 tp -66.5 -31.99 73.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.14 -34.18 77.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 13.0 mmt180 -72.04 -37.63 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.531 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.48 -29.44 67.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.333 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 34.8 mt -66.09 -27.2 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.565 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.518 ' HG2' HD12 ' A' ' 12' ' ' LEU . 74.5 mtt180 -62.43 -32.65 73.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.891 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.0 m -63.97 -30.34 71.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.62 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 9.6 mptt -68.9 -54.49 15.21 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -71.95 -21.91 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.657 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.9 mtt -78.83 -42.28 28.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.5 t 61.1 -70.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.363 1.065 . . . . 0.0 111.592 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.2 95.0 4.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -94.3 -20.77 19.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.765 -179.668 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 19.2 p -166.84 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.502 0.191 . . . . 0.0 111.297 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.03 -47.13 81.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.916 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.572 ' O ' HG12 ' B' ' 398' ' ' ILE . 31.5 m -77.74 -35.56 51.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.78 -33.38 71.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.796 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.8 62.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.9 -38.63 95.76 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.851 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 394' ' ' THR . 46.8 mm -57.66 -48.09 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.565 0.221 . . . . 0.0 110.882 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.4 mttm -57.56 -44.32 85.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.441 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.74 -39.3 87.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.0 mt-10 -62.12 -45.61 92.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.631 0.253 . . . . 0.0 110.516 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.61 HG12 ' HB3' ' B' ' 439' ' ' LEU . 71.7 mt -55.35 -52.82 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.105 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.3 mtp180 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 20.0 ttm180 -57.5 -49.84 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.261 176.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.478 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.9 mm-40 -73.11 -33.62 65.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.684 -176.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 77.2 mt-10 -60.37 -42.45 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.53 -47.05 77.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.795 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.9 mt -62.4 -51.84 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.595 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.401 HD13 HG13 ' B' ' 432' ' ' VAL . 59.8 tp -63.94 -34.44 77.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.119 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.634 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 46.4 t30 -59.38 -50.42 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 175.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 11.6 t -59.24 -51.05 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.003 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -52.24 -53.39 44.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 7.7 p80 -68.63 -28.95 67.36 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.195 -176.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -77.78 -52.93 8.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.93 -45.14 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.975 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.8 mp -63.7 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.276 0.56 . . . . 0.0 110.927 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -68.26 -28.71 67.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.276 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -15.21 75.58 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.701 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.78 -8.52 7.26 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.969 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.1 mt -83.75 115.77 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -139.16 140.6 37.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.722 0.773 . . . . 0.0 111.435 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.719 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.5 t70 -150.81 166.92 29.04 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.47 HD12 ' NH2' ' A' ' 84' ' ' ARG . 2.7 mm? -65.5 -34.55 78.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.029 0.443 . . . . 0.0 110.233 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.664 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.719 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.2 mmtt -69.11 -43.16 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' A' ' 84' ' ' ARG . 37.6 mt-10 -60.45 -46.19 90.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.551 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.05 -42.9 99.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.132 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.9 mmt180 -63.64 -41.84 98.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.676 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.7 mt -55.8 -56.18 23.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 123.325 0.391 . . . . 0.0 110.938 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.73 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 22.3 m95 -64.84 -41.43 95.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.52 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.458 ' O ' HG13 ' B' ' 435' ' ' ILE . 11.5 tp10 -57.67 -56.21 24.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.693 0.283 . . . . 0.0 110.887 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' B' ' 435' ' ' ILE . 12.1 p -62.66 -33.41 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.525 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.1 tp60 -54.57 -52.71 61.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.59 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.73 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.14 -35.21 77.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.501 -178.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 432' ' ' VAL . 36.0 mt -64.98 -43.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.205 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.36 -49.54 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.245 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.406 HG22 ' HA ' ' B' ' 434' ' ' ARG . 13.3 t -71.65 -33.95 69.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -68.86 -35.04 76.45 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.104 176.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 1.002 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -63.96 -42.74 97.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.21 -29.73 70.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.42 . . . . 0.0 110.06 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.455 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 3.0 tmt_? -67.94 -41.2 82.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 1.002 ' HD3' HD13 ' B' ' 439' ' ' LEU . 53.2 mtpt -57.16 -37.5 72.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.413 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.3 tp -66.02 -36.77 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.75 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -82.26 -5.28 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.63 -54.64 3.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.418 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.872 -177.256 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.56 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' HG3' ' HB2' ' A' ' 12' ' ' LEU . 35.8 tt0 -88.97 106.09 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.0 110.961 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -122.46 -56.84 1.78 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.656 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 m -111.41 23.59 13.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.407 0.622 . . . . 0.0 109.792 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.557 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 64.7 mt -101.07 22.26 12.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.858 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 12.1 33.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 110.796 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.8 tp -125.29 128.07 47.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.222 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -131.46 148.66 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.068 0.461 . . . . 0.0 111.467 -174.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.9 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.7 tpmt? -124.37 114.82 20.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t -120.87 120.26 61.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.84 122.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.451 . . . . 0.0 110.733 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.725 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -84.84 117.37 23.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.682 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' VAL . 35.2 m -127.04 170.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.362 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.33 -161.44 28.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.443 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -75.15 92.65 2.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.992 0.425 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 60.46 -102.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.93 52.79 0.44 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG11 ' OE2' ' A' ' 97' ' ' GLU . 28.6 m -54.0 -35.92 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.78 -19.43 0.02 OUTLIER Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.36 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -61.86 -18.63 60.81 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.26 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.6 t -72.28 -37.81 68.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.7 66.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.249 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.35 -42.19 81.51 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.107 -176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.51 HG22 ' HZ ' ' A' ' 169' ' ' PHE . 45.4 p -71.29 -39.05 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 28' ' ' SER . 82.9 mt -55.67 -40.41 72.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.439 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 52.6 mt-30 -65.93 -32.72 74.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -73.07 -47.48 44.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -81.16 -34.87 32.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.47 -9.75 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.116 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 67.8 7.77 5.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.061 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 11.2 pt-20 -144.55 170.26 16.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.758 0.314 . . . . 0.0 110.72 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 50.9 t80 -79.07 150.72 31.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.816 -174.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.52 136.69 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.472 . . . . 0.0 111.297 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.65 -39.03 2.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.002 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -134.44 100.49 4.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -171.42 94.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.068 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 mt-10 -84.13 -56.68 0.42 Allowed Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 28.6 Cg_endo -61.38 124.13 14.14 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.45 2.1 . . . . 0.0 112.775 -176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.72 37.39 0.41 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.43 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -85.83 -53.18 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.271 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -124.01 27.05 7.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.632 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -102.52 88.66 3.31 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.351 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -96.24 150.65 20.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -133.04 117.1 17.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.978 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 56.1 ttp180 -78.97 106.91 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -97.35 134.28 40.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -95.36 119.13 33.33 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.833 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.25 145.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.787 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.9 p -115.99 120.55 65.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.545 0.688 . . . . 0.0 110.04 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' CZ ' ' A' ' 174' ' ' ARG . 0.4 OUTLIER -120.12 97.33 5.55 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.023 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 59.12 37.84 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.725 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.69 -123.27 0.73 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.787 -1.197 . . . . 0.0 113.955 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.5 pt-20 -107.06 168.02 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.94 118.7 8.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.18 0.514 . . . . 0.0 110.72 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 60' ' ' GLU . 57.7 t -106.71 147.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.341 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -113.16 118.32 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 110.387 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 tt -120.37 121.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.946 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 24.1 t0 -102.37 119.64 39.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.003 -176.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.53 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 45.7 mm -108.61 124.66 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.068 -173.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.548 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 31.1 tp -107.81 128.57 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.015 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -99.47 101.98 13.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.2 p -78.95 138.63 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.58 108.57 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.245 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -77.3 77.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.352 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.51 174.53 13.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -97.39 0.04 47.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' HD13 ' A' ' 72' ' ' LEU . 19.3 m-20 -79.43 -72.66 0.38 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.427 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.5 m-85 -78.98 76.81 5.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.102 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -23.63 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.16 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.08 -15.2 62.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.751 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.643 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.8 mt -96.75 -31.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 110.717 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -91.89 -61.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.76 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -54.14 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.656 -172.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 93.5 m-20 -76.5 -30.64 57.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.643 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -74.66 -24.48 58.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.412 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.8 m-30 -64.9 -14.97 61.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG3' ' CD ' ' B' ' 426' ' ' GLU . 2.9 mmt85 -54.53 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.502 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 6.0 m -80.07 15.98 1.35 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.74 0.305 . . . . 0.0 111.457 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.9 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -86.78 135.47 13.27 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.421 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 80.1 mt-10 -97.61 -72.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.893 0.378 . . . . 0.0 110.485 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -100.21 143.0 16.15 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.361 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.12 129.33 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -103.59 113.44 26.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.563 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 123' ' ' LEU . 80.6 mt -88.5 107.4 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.839 HG21 ' HB3' ' A' ' 27' ' ' LYS . 28.5 m -106.44 147.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.27 0.557 . . . . 0.0 112.239 -174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -156.65 148.57 22.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.598 ' HB2' ' HB3' ' A' ' 129' ' ' LYS . 98.2 p -84.76 153.17 23.19 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.901 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.6 10.25 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.148 0.499 . . . . 0.0 112.219 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.0 p -119.64 7.56 11.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.212 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' OE2' HG11 ' A' ' 25' ' ' VAL . 42.5 mt-10 -118.81 97.98 5.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -80.05 -27.58 39.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.67 -56.44 15.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.139 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 13.8 m -62.28 -28.28 69.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.37 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.1 t80 -62.45 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -75.53 -28.08 58.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.211 0.529 . . . . 0.0 110.488 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.78 -14.57 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.053 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 33.8 p -55.56 -38.38 69.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.604 0.24 . . . . 0.0 111.621 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.19 87.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.77 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.66 -46.51 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.953 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-85 -61.25 -48.05 83.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.762 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.81 -54.94 27.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.514 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.28 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.805 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -71.62 -30.35 65.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.5 mt -64.79 -42.34 94.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.975 0.416 . . . . 0.0 110.51 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.04 -26.7 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.21 -40.83 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.755 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.732 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.6 m -96.44 -0.71 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.732 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -129.74 -73.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.669 0.271 . . . . 0.0 111.061 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' OE2' ' A' ' 117' ' ' GLU . . . 60.86 -88.3 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.831 0.853 . . . . 0.0 113.145 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' A' ' 116' ' ' ALA . 1.7 pm0 -79.7 62.73 4.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.58 0.705 . . . . 0.0 112.068 -174.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.42 ' HG3' ' HE3' ' A' ' 115' ' ' LYS . 11.4 mm-40 -95.78 -163.07 1.01 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.501 174.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.04 -84.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.963 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 30.6 mmmt -149.05 113.85 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.09 108.31 12.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.931 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 49.6 Cg_endo -91.19 117.02 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.012 2.475 . . . . 0.0 112.512 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 91' ' ' LEU . 6.2 mp -102.8 151.82 21.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.056 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.821 HD13 ' HG3' ' A' ' 153' ' ' GLN . 2.6 tp -145.04 117.52 8.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.478 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.9 t -84.44 118.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.723 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.6 t -110.22 110.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.745 -175.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.45 104.43 2.72 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 94' ' ' SER . 3.1 p-10 -102.74 177.79 4.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.74 0.305 . . . . 0.0 111.201 -174.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 19.2 tptm 65.63 25.26 11.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.79 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -70.24 0.9 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.92 -15.41 63.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.539 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 135' ' ' ARG . 71.0 mt -77.4 -53.04 8.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 44.8 tt0 65.01 -76.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.362 0.665 . . . . 0.0 112.18 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . 24.3 ttm180 -94.9 8.92 41.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 120.929 0.395 . . . . 0.0 110.3 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 133' ' ' GLU . 39.1 ttp180 -53.28 118.89 4.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.021 -175.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 33.5 tt0 -94.28 -35.48 12.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.46 118.07 37.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.45 133.04 35.59 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.213 1.942 . . . . 0.0 111.893 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.529 HG12 ' HG3' ' A' ' 144' ' ' ARG . 19.2 t -57.08 -20.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.223 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.06 -52.86 61.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.34 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.92 -24.75 55.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.815 0.34 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -69.39 -47.27 64.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 140' ' ' VAL . 69.3 mtp180 -63.05 -35.44 80.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.508 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -63.91 -40.67 97.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.89 -46.55 74.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.15 -42.37 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.46 -41.11 98.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.86 -33.72 76.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -81.51 -8.19 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.338 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.46 23.29 56.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.285 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 147' ' ' ALA . 35.5 m -120.43 -179.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.589 0.233 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.821 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -106.83 156.33 18.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.22 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.474 ' CE2' HG13 ' A' ' 140' ' ' VAL . 83.3 t80 -121.54 124.09 43.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.955 175.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.38 135.6 61.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.072 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.99 149.3 25.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.317 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 7.1 p -136.38 134.49 37.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.378 0.609 . . . . 0.0 111.622 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.2 m -112.93 129.2 56.56 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.541 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -100.11 -35.09 9.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.667 0.27 . . . . 0.0 111.438 -172.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.462 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 28.0 tptp -70.09 -26.47 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.298 0.57 . . . . 0.0 110.144 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.5 p -109.11 -13.45 14.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.293 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? 60.74 83.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.777 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.79 25.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.581 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 70.68 3.24 4.47 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.004 0.815 . . . . 0.0 112.088 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.06 -40.69 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.312 0.577 . . . . 0.0 109.904 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 -44.17 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.331 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -56.43 -52.7 63.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.772 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -55.89 -30.83 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.51 ' HZ ' HG22 ' A' ' 31' ' ' THR . 61.1 m-85 -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.545 176.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 51.8 m-85 -59.95 -39.6 86.12 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.055 0.222 . . . . 0.0 111.559 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -56.89 -51.51 68.82 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.72 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -65.07 -40.32 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.231 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.4 mtp -59.87 -31.55 69.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.221 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 29.6 mmt180 -72.64 -45.07 60.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.81 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 9.0 mm-40 -57.98 -37.76 74.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 175.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.8 mt -55.81 -43.65 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.991 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.683 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 36.2 ptt180 -66.49 -36.73 83.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.41 -41.94 79.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.963 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 64.9 mmtt -61.63 -41.75 97.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.981 0.419 . . . . 0.0 110.731 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.15 -29.01 68.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.2 mtm -86.7 -6.83 58.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.844 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.1 m -78.25 -32.0 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.987 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.835 ' HG3' ' H ' ' A' ' 184' ' ' ASN . 5.6 tp10 -135.66 -162.71 1.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ASN . . . . . 0.835 ' H ' ' HG3' ' A' ' 183' ' ' GLU . 48.7 m-80 76.14 67.72 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.715 0.806 . . . . 0.0 110.326 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.908 177.558 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.45 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 15.8 m -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -54.76 -55.37 30.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.958 0.408 . . . . 0.0 111.385 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.577 HG23 ' HB1' ' B' ' 446' ' ' ALA . 8.8 t -80.94 -19.51 44.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.535 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 86.1 mt-30 -58.99 -28.83 66.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.776 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.01 -55.23 35.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.53 -37.92 78.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.546 ' O ' HG13 ' B' ' 402' ' ' ILE . 22.2 mm -54.54 -51.37 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.3 mttt -65.51 -32.85 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.536 -177.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.13 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 110.91 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 23.8 mt-10 -78.18 -34.97 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.685 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.697 HG12 ' HB3' ' B' ' 439' ' ' LEU . 69.6 mt -57.28 -54.17 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.256 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -64.29 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.2 ttm180 -58.47 -48.22 81.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.788 173.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' B' ' 432' ' ' VAL . 69.9 mm-40 -75.27 -30.32 60.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.631 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 45.2 mt-10 -59.55 -45.28 92.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.31 -48.29 65.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.2 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 80.7 mt -60.03 -51.99 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.969 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.717 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -64.13 -34.78 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.651 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 61.2 t30 -64.07 -45.62 87.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.344 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.8 t -59.13 -51.95 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.411 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.8 mm? -52.86 -34.7 55.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.919 0.39 . . . . 0.0 111.016 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -72.81 -39.68 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 18.9 mtm180 -76.72 -54.08 7.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.438 0.637 . . . . 0.0 110.785 -176.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.95 -40.25 87.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.987 -168.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -72.45 -23.91 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.42 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 3.8 mt-30 -54.23 -30.44 50.09 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.851 0.46 . . . . 0.0 111.778 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.15 2.42 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.157 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.02 37.42 83.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.438 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.8 mt -119.06 133.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.413 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -157.6 145.03 18.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.612 . . . . 0.0 110.676 172.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.648 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.79 158.91 44.49 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 176.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.045 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.19 -36.72 85.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 0.0 110.297 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 34.2 mmtt -72.51 -46.25 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.035 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 62.7 mt-10 -59.82 -47.49 85.48 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.086 -175.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.35 -48.3 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.703 ' O ' HG12 ' B' ' 432' ' ' VAL . 25.9 mmt180 -60.76 -39.89 90.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.086 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -54.82 -54.56 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.576 0.547 . . . . 0.0 110.914 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.548 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 52.0 m95 -70.93 -31.83 68.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.603 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 37.9 tt0 -65.01 -56.44 13.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.446 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.717 HG13 HD23 ' B' ' 409' ' ' LEU . 5.6 p -62.76 -33.91 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.241 0.543 . . . . 0.0 110.233 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -55.49 -53.3 58.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.035 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -71.0 -26.84 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.109 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.5 mt -70.38 -45.21 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' B' ' 405' ' ' GLN . 18.1 tp -60.35 -43.59 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 111.379 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.0 t -68.99 -33.29 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.591 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.39 -40.18 85.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -59.14 -43.13 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.262 178.177 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.54 -41.31 89.79 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.337 0.589 . . . . 0.0 110.164 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -66.03 -44.03 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.602 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -61.04 -32.72 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.894 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.2 tp -63.28 -48.04 79.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -79.39 -7.29 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.01 0.433 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.7 -26.6 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.988 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.577 ' HB1' HG23 ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.219 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.541 ' C6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' HA ' HD12 ' A' ' 12' ' ' LEU . 64.3 tt0 59.84 76.51 0.36 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.666 0.746 . . . . 0.0 111.032 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 p -143.58 -64.54 0.38 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.731 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -95.66 16.75 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.44 0.638 . . . . 0.0 110.072 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.606 HD23 ' HD3' ' A' ' 180' ' ' LYS . 91.7 mt -84.3 -5.79 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.1 6.33 42.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.043 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 tp -134.92 133.76 39.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.281 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -135.98 131.32 34.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.0 tpmt? -101.81 107.44 18.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.085 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -122.51 129.66 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.273 0.559 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.14 127.14 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 49.7 ttm -97.16 127.17 42.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 91' ' ' LEU . 25.5 m -93.55 176.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.836 0.351 . . . . 0.0 111.23 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.488 ' HA3' ' HD2' ' A' ' 27' ' ' LYS . . . 143.21 -179.25 20.87 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 1.056 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 21.6 m -133.83 -65.02 0.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.876 0.338 . . . . 0.0 110.856 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.05 -97.02 1.13 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.621 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.78 -85.52 1.85 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.406 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t 71.33 -52.58 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.508 0.723 . . . . 0.0 111.637 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.1 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -76.73 4.89 8.6 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -121.95 -33.63 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.939 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.22 70.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.384 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 165' ' ' VAL . 87.2 mt -65.31 -41.9 93.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.326 0.584 . . . . 0.0 110.859 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.571 HG23 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -62.75 -38.38 90.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.364 -173.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -68.64 -30.96 69.78 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.005 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -63.58 -40.84 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 110.1 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -70.2 -27.81 64.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.298 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtm -97.86 -53.12 3.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.898 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.23 -21.47 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 66.9 29.61 8.16 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.942 0.877 . . . . 0.0 109.283 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -127.06 148.34 50.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.879 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -81.6 149.47 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 43' ' ' TYR . 24.0 t -75.17 100.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 111.338 -175.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -98.18 -38.2 9.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -151.71 86.92 1.34 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HB3' HG13 ' A' ' 40' ' ' VAL . 82.7 t80 -160.93 105.95 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.639 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -95.75 -64.3 0.11 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.393 176.39 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 22.7 Cg_exo -24.5 84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.607 0 C-N-CA 125.113 3.875 . . . . 0.0 115.269 -167.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.565 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 11.7 p -148.42 22.81 1.04 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.262 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -85.44 -58.48 2.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.246 0.546 . . . . 0.0 110.501 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -126.4 -20.5 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.973 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -97.59 162.73 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.1 t -135.99 169.46 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.994 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 11.9 t80 -136.19 123.24 21.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -75.36 132.7 41.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -117.4 130.2 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.322 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -100.55 130.27 46.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.01 146.98 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 0.0 110.459 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 60' ' ' GLU . 8.5 p -124.64 135.97 62.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 57' ' ' LEU . 0.8 OUTLIER -134.51 97.96 3.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.824 0.345 . . . . 0.0 110.266 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 52.09 34.87 15.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.444 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.45 -122.82 0.66 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.992 -1.099 . . . . 0.0 113.869 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.0 pt-20 -102.37 156.15 17.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -173.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 117.13 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.235 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.7 t -107.44 144.45 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.527 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -113.6 125.27 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.371 0.605 . . . . 0.0 109.92 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -122.02 149.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.633 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -124.37 117.1 23.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.319 -176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 31' ' ' THR . 4.4 mm -108.07 112.91 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.584 0.231 . . . . 0.0 110.775 -174.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.574 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 25.5 tp -95.7 128.05 42.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.446 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.565 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 32.5 t0 -92.2 -174.91 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -149.44 139.11 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.512 -0.742 . . . . 0.0 112.719 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' H ' HG21 ' A' ' 78' ' ' ILE . . . -85.02 100.49 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 163.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 1.056 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -75.48 76.14 1.34 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.92 -174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.14 171.05 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.697 0.284 . . . . 0.0 110.626 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.33 -29.53 22.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.12 -68.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.052 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.577 ' H ' HD13 ' A' ' 72' ' ' LEU . 32.7 m-85 -86.69 76.3 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.538 -175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.91 -18.99 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.789 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.47 -7.15 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.054 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.506 HG21 ' H ' ' A' ' 70' ' ' ALA . 38.5 mt -102.87 -43.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.622 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -91.35 -63.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.942 0.401 . . . . 0.0 110.619 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -67.14 -49.51 64.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.409 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.71 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 46.1 m-80 -72.77 -35.21 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -74.6 -36.6 62.99 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -58.03 -25.64 61.41 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.734 0.302 . . . . 0.0 111.593 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -48.88 -56.97 7.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.287 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.586 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.8 t -96.88 24.57 6.03 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.169 0.509 . . . . 0.0 111.15 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.715 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.58 141.2 15.44 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.332 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 42.7 mt-10 -89.39 -75.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -104.06 146.07 16.23 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.328 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.39 129.31 51.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.294 0.568 . . . . 0.0 111.256 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.06 102.58 14.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.792 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 20' ' ' VAL . 81.9 mt -78.94 105.07 10.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -111.62 134.41 54.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.119 0.485 . . . . 0.0 111.1 -177.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -145.38 163.74 33.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.311 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB3' ' HD3' ' A' ' 129' ' ' LYS . 5.6 p -105.05 139.39 39.81 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.297 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.56 11.19 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.79 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 132' ' ' LEU . 29.7 p -103.49 -50.04 3.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.074 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.55 99.31 10.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -61.23 -25.85 67.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.583 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -33.09 71.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.999 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 m -68.86 -36.57 78.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.053 0.454 . . . . 0.0 110.212 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.57 -38.2 86.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 m -65.92 -37.23 85.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.09 -14.75 61.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.7 p -57.14 -39.5 75.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 111.417 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.42 -39.8 85.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.477 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.34 -44.45 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.86 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.544 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.3 m-85 -57.58 -51.15 70.68 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.391 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -59.24 -53.75 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.42 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.11 -31.14 72.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.636 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.37 -33.3 71.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.41 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.6 mt -64.8 -43.07 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.853 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.49 -17.48 61.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -72.47 -36.03 68.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.908 0.385 . . . . 0.0 110.551 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.5 m -98.09 -6.82 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.446 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 114' ' ' VAL . 25.0 mtpp -137.51 -140.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.97 6.15 5.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 112.832 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -112.57 16.19 19.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.653 0.74 . . . . 0.0 109.567 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.18 -155.75 0.58 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.514 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.15 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.228 0.467 . . . . 0.0 111.566 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 120' ' ' LYS . 12.8 mmmm -145.04 148.14 33.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.142 0.496 . . . . 0.0 111.085 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.9 mt -113.62 109.76 50.43 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.372 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.9 Cg_endo -85.66 127.81 3.27 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.962 2.441 . . . . 0.0 112.327 174.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.415 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -123.28 122.64 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.619 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.0 tp -113.25 122.96 49.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.5 t -91.91 121.83 42.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.144 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.795 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -117.12 130.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.592 -176.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.19 119.94 6.35 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.137 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 61.5 t30 -105.27 166.98 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.6 mptm? 81.22 14.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.098 0.959 . . . . 0.0 111.338 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m -72.05 -3.81 25.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.876 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 3.1 p30 -86.43 -1.87 57.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.905 HD21 ' HB2' ' A' ' 135' ' ' ARG . 3.5 tp -98.58 -60.73 1.49 Allowed 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.408 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 38.3 tt0 69.87 -48.64 0.62 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.845 0.858 . . . . 0.0 112.473 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.607 ' HG2' ' HG3' ' A' ' 135' ' ' ARG . 3.3 tt0 -55.41 -48.14 74.84 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.508 0.723 . . . . 0.0 111.971 -173.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.905 ' HB2' HD21 ' A' ' 132' ' ' LEU . 66.7 mtt180 -103.08 33.51 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -175.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -64.59 113.97 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.959 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -91.42 -12.27 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.773 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.85 118.92 11.42 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.481 . . . . 0.0 110.446 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.06 135.9 53.59 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.921 2.414 . . . . 0.0 112.552 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -63.09 -21.87 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.86 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.66 -56.03 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.11 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.74 -22.91 49.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.998 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -66.37 -39.63 89.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtp180 -67.42 -32.39 73.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.36 0.6 . . . . 0.0 110.381 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 24.6 t -75.72 -19.39 59.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.076 -176.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.484 ' HA ' ' OE2' ' A' ' 149' ' ' GLU . 12.1 tppt? -72.91 -41.51 64.51 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.766 175.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.75 74.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.051 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 145' ' ' SER . 33.9 tt0 -60.65 -38.18 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.795 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.484 ' OE2' ' HA ' ' A' ' 146' ' ' LYS . 47.2 mt-10 -57.8 -42.0 83.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -90.84 -15.34 30.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.172 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.91 32.83 43.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.951 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.85 -174.93 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-O 120.569 0.223 . . . . 0.0 110.816 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.776 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -104.33 147.33 27.63 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.802 178.408 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -127.17 120.29 28.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.153 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.75 136.24 60.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.28 147.26 26.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.761 0.315 . . . . 0.0 110.47 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 11.0 p -130.89 148.01 52.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.435 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.876 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.1 m -138.25 100.26 4.08 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.22 -25.9 66.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.612 -173.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.54 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.5 t -119.96 8.66 11.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.142 0.496 . . . . 0.0 110.365 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 60.59 30.07 19.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.794 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -77.19 117.15 18.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.432 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.8 13.36 8.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.187 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.41 HG22 HD22 ' A' ' 30' ' ' LEU . 95.8 t -63.08 -49.84 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.858 0.361 . . . . 0.0 110.643 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -76.91 -26.95 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.66 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.964 -175.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.13 -25.67 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -72.66 -56.21 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.46 -37.4 83.48 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.593 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -46.53 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.396 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 176' ' ' ILE . 43.6 tp -69.76 -36.56 75.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 64' ' ' ILE . 66.8 mtp -58.94 -32.44 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.297 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -72.66 -42.37 64.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.117 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -59.98 -35.61 75.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 75.5 mt -56.4 -33.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -60.46 -51.49 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.283 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.3 m -55.4 -47.44 75.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.231 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -69.88 -47.25 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.606 ' HD3' HD23 ' A' ' 12' ' ' LEU . 10.2 tttp -61.29 -34.95 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 94.9 mtp -82.21 -13.95 56.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.925 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.5 p 48.86 87.02 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.029 0.831 . . . . 0.0 112.067 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 61.5 93.0 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.691 0.758 . . . . 0.0 111.403 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -97.12 13.84 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.854 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.206 177.318 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.3 p -92.55 50.01 1.55 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.907 0.384 . . . . 0.0 110.697 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.61 126.75 26.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.756 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.7 m 74.3 -40.8 0.46 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.477 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.29 -31.76 72.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.91 41.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.58 -37.75 95.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.095 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 33.6 mm -55.94 -53.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.504 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 65.2 mttm -59.52 -40.07 85.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.369 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.93 -40.03 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.0 mt-10 -74.87 -31.57 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.074 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.596 HG12 ' HB3' ' B' ' 439' ' ' LEU . 80.6 mt -56.3 -50.02 73.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 76.6 mtp180 -55.4 -42.66 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.4 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -60.3 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.293 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.612 ' HB2' HD13 ' B' ' 436' ' ' LEU . 74.5 mm-40 -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -173.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.445 ' OE2' HD21 ' B' ' 436' ' ' LEU . 3.8 mm-40 -59.62 -37.95 80.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.796 0.331 . . . . 0.0 110.406 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -67.55 -48.51 66.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.038 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.42 ' HB2' HG21 ' B' ' 432' ' ' VAL . 7.0 mp -56.36 -48.59 76.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.486 0.184 . . . . 0.0 111.44 175.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' B' ' 409' ' ' LEU . 1.8 tm? -55.78 -48.72 74.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 109.714 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.85 -48.26 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.269 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.6 t -62.01 -53.2 58.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.656 HD11 ' HG3' ' B' ' 428' ' ' ARG . 37.0 mt -54.0 -35.25 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.541 ' CD2' HD21 ' B' ' 429' ' ' LEU . 4.1 m-70 -66.44 -46.21 77.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.049 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -74.13 -33.6 63.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.601 0.239 . . . . 0.0 111.44 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.167 0.508 . . . . 0.0 110.348 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.709 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.6 mp -74.3 -27.16 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.284 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -27.96 55.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.84 -14.09 82.48 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.09 -0.505 . . . . 0.0 113.138 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.02 2.3 39.15 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.102 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.09 121.42 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 19.3 pttp -130.26 142.99 50.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.126 0.965 . . . . 0.0 112.912 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.4 t70 -149.14 163.99 36.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.778 -1.555 . . . . 0.0 106.886 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.77 -28.41 67.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.344 0.593 . . . . 0.0 109.781 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 13.0 m -63.26 -42.49 99.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.4 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.733 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -72.75 -37.17 67.78 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.733 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -73.6 -38.0 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.41 -37.25 77.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.346 0.593 . . . . 0.0 109.559 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.656 ' HG3' HD11 ' B' ' 412' ' ' LEU . 14.0 tpp180 -68.02 -37.88 81.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.694 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' B' ' 413' ' ' HIS . 0.5 OUTLIER -56.86 -50.86 71.18 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.725 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 70.1 m95 -68.13 -32.89 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.504 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.653 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -63.02 -55.89 21.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.07 0.231 . . . . 0.0 111.024 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.587 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.4 p -60.91 -34.03 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 109.897 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.2 tp60 -55.92 -53.67 54.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.5 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.725 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.3 OUTLIER -70.73 -27.35 63.9 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.062 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 432' ' ' VAL . 61.6 mt -67.62 -48.25 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.685 ' HG ' ' HE3' ' B' ' 440' ' ' LYS . 28.7 tp -62.15 -45.92 91.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.67 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.626 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.2 t -67.51 -34.53 77.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.636 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.92 -37.58 75.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.169 175.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -56.44 -47.62 78.73 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.406 176.227 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.685 ' HE3' ' HG ' ' B' ' 436' ' ' LEU . 92.9 mttt -66.01 -34.93 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.935 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -64.17 -44.99 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -60.51 -32.46 71.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.068 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 58.6 tp -61.2 -48.61 80.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.915 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -77.6 -11.34 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.48 -30.71 23.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.049 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.841 -179.782 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.454 HE22 HD22 ' A' ' 12' ' ' LEU . 5.2 pm0 -162.11 -32.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 p -178.24 156.62 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -64.94 120.43 12.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.841 0.353 . . . . 0.0 110.066 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 180' ' ' LYS . 0.7 OUTLIER -115.59 33.6 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 110.488 -175.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.13 16.56 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.518 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD21 HH22 ' B' ' 434' ' ' ARG . 57.4 tp -119.91 116.67 26.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.197 176.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 22.7 m-70 -127.94 152.3 48.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -122.43 124.31 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.844 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.19 110.06 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.003 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 89' ' ' PHE . 64.9 mt -96.89 128.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 52.5 tpp -83.53 103.36 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.605 HG23 HD23 ' A' ' 91' ' ' LEU . 6.0 m -95.72 110.69 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.844 0.83 . . . . 0.0 111.988 -172.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 27' ' ' LYS . . . -168.53 163.53 37.25 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.296 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.827 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 16.2 m -104.13 9.79 36.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 117.533 0.667 . . . . 0.0 110.398 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -153.04 17.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.0 3.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.043 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 93' ' ' PHE . 20.4 m -81.79 -37.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.99 -63.08 0.56 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.028 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA3' ' A' ' 21' ' ' GLY . 43.4 mtmt 71.86 -53.8 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.947 1.299 . . . . 0.0 111.352 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 503' ' ' HOH . 4.7 m -75.64 -20.73 58.29 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.532 -172.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.49 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 ' ND2' ' A' ' 128' ' ' ASN . 6.2 mp -74.64 -41.61 60.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.442 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' A' ' 40' ' ' VAL . 84.7 mt -58.25 -27.61 64.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.4 mm100 -66.95 -38.13 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.64 0.733 . . . . 0.0 109.786 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.43 -17.94 61.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.246 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.42 -44.1 3.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -105.73 -4.42 20.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 73.38 -37.78 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.754 0.659 . . . . 0.0 112.497 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -97.44 165.2 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.322 0.582 . . . . 0.0 111.62 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -76.34 150.81 36.82 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.349 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HD12 ' A' ' 32' ' ' LEU . 3.3 p -76.9 126.35 37.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.947 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -85.6 -51.03 6.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -158.2 129.55 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -171.99 91.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.9 mt-10 -81.03 -55.95 0.64 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.7 Cg_exo -60.54 111.34 1.0 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.171 1.914 . . . . 0.0 112.663 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 30.01 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -78.82 -56.11 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.583 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.49 15.99 24.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.576 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.21 115.98 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.9 t -143.35 137.76 28.98 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.257 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -124.46 125.93 45.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.216 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -95.35 105.54 17.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -97.82 137.83 36.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.914 -171.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -98.62 120.03 38.34 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.914 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.96 144.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 p -115.75 106.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.726 0.774 . . . . 0.0 110.151 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 170' ' ' PHE . 86.8 mt -93.0 99.59 12.18 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.105 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 74.14 -32.69 0.24 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.491 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.24 -52.3 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.23 -1.462 . . . . 0.0 114.772 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.85 140.81 29.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.996 0.898 . . . . 0.0 111.745 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.33 111.07 9.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.22 140.65 23.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.334 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.46 128.05 56.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -122.87 124.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.804 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.603 ' HB3' ' HZ3' ' B' ' 430' ' ' TRP . 36.8 m-20 -87.24 120.31 28.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.12 128.48 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.888 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 82' ' ' TYR . 21.2 tp -132.67 140.55 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.615 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -92.12 -41.42 10.49 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.331 0.253 . . . . 0.0 111.595 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 78' ' ' ILE . 32.6 p 65.66 152.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.621 1.168 . . . . 0.0 112.268 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -98.37 131.09 44.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.827 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -95.55 65.45 1.24 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.067 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -159.28 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.47 -20.22 61.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.551 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -58.4 -47.89 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.506 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.2 m-85 -117.65 65.87 0.74 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.56 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.74 67.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' B' ' 416' ' ' LEU . . . -70.49 -12.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.049 0.452 . . . . 0.0 111.08 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 69' ' ' THR . 16.6 mt -98.48 -28.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 26.1 tpt180 -92.55 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.79 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.29 -48.35 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.43 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.707 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 14.1 m120 -69.43 -15.7 63.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.492 -171.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -89.47 -3.58 58.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.808 -0.557 . . . . 0.0 112.048 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -76.22 -27.2 56.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD2' ' HD2' ' A' ' 115' ' ' LYS . 12.3 mmm180 -59.4 -55.34 35.99 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.648 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 31.4 m -80.9 36.59 0.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 111.292 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.29 118.9 3.8 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.867 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 34.2 mt-10 -81.17 -63.43 1.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.27 148.14 17.06 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.461 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.9 m-85 -129.87 123.15 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.274 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.77 127.37 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 20' ' ' VAL . 72.4 mt -100.12 106.54 18.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.513 177.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -117.68 129.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.002 0.43 . . . . 0.0 110.657 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' HG11 ' A' ' 25' ' ' VAL . 25.1 p90 -144.96 157.3 44.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.194 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 128' ' ' ASN . 7.7 p -94.75 132.49 39.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.99 177.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.518 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.94 15.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.133 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.724 HG21 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -103.61 -14.61 16.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.95 174.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -114.36 100.8 8.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.514 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.459 ' HA ' HG22 ' A' ' 138' ' ' VAL . 26.4 t-80 -65.45 -23.43 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.33 -46.38 83.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.139 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -63.61 -34.21 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.617 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 65.4 t80 -64.88 -48.52 73.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -28.32 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.675 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.25 -15.64 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.326 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.607 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.9 p -59.09 -33.4 70.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 111.257 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.57 81.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.118 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.581 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.607 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -57.71 -51.36 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.653 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -68.04 -49.87 58.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.1 mt-10 -63.77 -37.33 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.044 -174.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -67.03 -30.51 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 0.0 110.427 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.6 mt -63.26 -48.55 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.099 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.33 -21.14 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.533 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 28.1 mmm180 -66.66 -30.35 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.475 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.6 m -117.66 -3.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.059 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HD2' ' HD2' ' A' ' 84' ' ' ARG . 12.8 mmmm -122.5 -142.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.826 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.43 23.06 2.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.424 0.69 . . . . 0.0 111.72 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.55 -13.94 12.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.219 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -86.06 -170.43 3.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.991 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -68.21 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.929 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 25.0 mmtm -153.38 127.61 9.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 111.122 -175.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.5 mt -94.52 106.78 25.77 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.116 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 74.1 Cg_endo -87.76 133.6 3.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.981 2.454 . . . . 0.0 112.259 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.3 131.4 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.265 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.768 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -116.35 120.85 40.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.576 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.411 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.7 t -86.96 117.78 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.05 -178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.648 ' HB ' HG12 ' A' ' 92' ' ' VAL . 26.4 t -108.54 118.28 55.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.089 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.88 94.79 1.68 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.459 ' ND2' HD11 ' A' ' 30' ' ' LEU . 63.0 t30 -93.77 163.15 13.64 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -176.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.52 ' HE2' ' C4 ' ' A' ' 500' ' ' GNP . 1.7 mptm? 71.81 24.05 3.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -70.92 1.01 6.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.371 0.605 . . . . 0.0 110.236 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -22.15 64.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.718 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.724 HD13 HG21 ' A' ' 96' ' ' THR . 31.3 mt -75.83 -56.63 4.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.149 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 67.91 -71.6 0.11 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.779 0.674 . . . . 0.0 112.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.31 -30.6 71.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 96' ' ' THR . 62.5 mtp180 -89.05 11.67 17.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -57.81 114.14 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 111.482 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 34.9 tt0 -95.75 -30.45 13.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 98' ' ' HIS . 85.0 t -88.05 111.94 46.04 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.275 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 39.2 Cg_exo -60.26 114.28 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.107 1.871 . . . . 0.0 110.877 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -54.91 -25.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.778 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.59 -51.67 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.638 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.58 -30.3 46.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -58.55 -51.13 71.19 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.977 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -69.29 -36.19 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 15.8 t -62.86 -25.41 68.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.512 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 42.8 mmtt -70.84 -37.5 73.15 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.975 -0.453 . . . . 0.0 111.057 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.17 93.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.555 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 145' ' ' SER . 27.1 tt0 -59.12 -46.08 89.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.805 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.95 -44.39 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -85.74 -13.16 49.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.447 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.11 39.31 20.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.153 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.4 m -127.61 -173.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.768 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -106.86 157.7 17.56 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.17 0.51 . . . . 0.0 111.086 178.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -129.39 114.88 16.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.638 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.87 125.38 70.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.04 128.44 34.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.0 p -127.8 135.75 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.404 0.621 . . . . 0.0 112.661 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 38.4 t -95.88 114.69 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.758 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.87 -13.74 50.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -78.41 -33.62 48.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 110.103 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.4 p -95.8 -10.39 29.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.733 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 62.18 37.0 14.66 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.416 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.63 130.14 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.474 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 62.19 16.23 8.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.686 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 168' ' ' VAL . 78.1 t -71.28 -40.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.171 0.51 . . . . 0.0 110.026 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.26 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.2 -50.83 71.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.025 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 165' ' ' VAL . 22.4 m -60.97 -28.04 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -76.09 -50.1 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.498 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 18.6 m-85 -65.56 -48.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.7 -177.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -44.13 92.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.612 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 176' ' ' ILE . 32.5 tp -63.14 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 0.0 110.238 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 64' ' ' ILE . 72.5 mtm -66.33 -31.21 71.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 14.0 mmt180 -67.31 -41.96 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.492 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.17 -36.6 80.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.404 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.608 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 74.9 mt -61.68 -36.54 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 12.6 mtt180 -52.66 -43.1 65.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.183 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -55.0 -43.01 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.548 0.53 . . . . 0.0 111.847 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -73.04 -34.01 66.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.727 0.299 . . . . 0.0 110.782 -178.269 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 28.4 mmmt -64.93 -45.23 86.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.061 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.434 ' HE2' HD21 ' A' ' 12' ' ' LEU . 58.1 mtt -83.07 -18.26 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.242 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.4 m 69.94 173.6 0.3 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.172 0.92 . . . . 0.0 111.231 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.85 -169.91 0.2 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.425 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 68.79 20.31 8.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.044 0.45 . . . . 0.0 110.786 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.239 178.208 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 35.3 p -135.59 17.09 3.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 6.3 mp0 -64.47 -47.55 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.669 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.447 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.5 m -75.79 -32.53 59.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -62.58 -35.88 80.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.961 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.55 -50.28 73.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.313 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.21 -39.16 97.31 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.953 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.525 ' O ' HG13 ' B' ' 402' ' ' ILE . 37.9 mm -58.98 -47.99 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.97 -36.55 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.7 mt-10 -62.1 -45.13 94.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 110.178 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.587 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 6.6 tp10 -67.46 -39.14 85.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.9 mt -57.91 -43.83 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -56.62 -42.35 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.976 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.587 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 30.1 ttm180 -63.1 -45.36 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.455 ' HB2' HD13 ' B' ' 436' ' ' LEU . 82.3 mm-40 -74.61 -37.2 62.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.993 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' B' ' 436' ' ' LEU . 70.1 mt-10 -65.45 -35.42 80.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.102 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.96 -50.27 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.506 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' B' ' 432' ' ' VAL . 85.1 mt -57.68 -47.69 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.426 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 409' ' ' LEU . 2.2 tm? -62.8 -49.05 76.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.195 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -60.25 -50.6 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.172 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 38.5 m -61.01 -46.02 92.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 53.0 mt -60.0 -44.05 94.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 0.0 110.733 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.416 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.9 m170 -59.84 -48.97 79.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.031 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 414' ' ' ARG . 40.0 mtp180 -67.34 -36.25 81.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.662 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.08 -45.74 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.533 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.811 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 33.8 mt -75.15 -34.35 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.122 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 3.4 mt-30 -68.05 -9.84 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.32 -12.44 83.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.905 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.43 -1.52 25.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.619 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.811 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 38.7 mt -108.74 143.33 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.707 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 45.3 pttt -155.4 169.05 25.14 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.583 0.706 . . . . 0.0 110.962 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.629 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 26.8 t70 -147.63 170.07 18.3 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.14 -33.94 75.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.118 0.485 . . . . 0.0 109.791 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.2 m -63.55 -33.87 76.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.585 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.629 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 53.5 mmtt -64.06 -54.45 33.92 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.431 0.634 . . . . 0.0 110.843 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.46 -36.88 85.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.706 -174.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.0 mm-40 -66.77 -50.01 64.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.21 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.581 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 22.8 mmt180 -61.28 -34.69 75.6 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.172 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.6 mt -55.08 -56.26 21.86 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.587 0.555 . . . . 0.0 110.787 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 35.6 m95 -61.11 -35.86 78.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.963 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.581 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 49.2 mt-10 -64.86 -56.59 12.47 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.368 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.591 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.0 p -64.98 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 110.055 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -55.26 -55.37 32.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.162 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.809 HH22 HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.12 -27.2 63.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -177.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 432' ' ' VAL . 83.0 mt -66.58 -47.8 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.535 ' O ' ' HD3' ' B' ' 440' ' ' LYS . 34.9 tp -58.51 -44.4 89.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.46 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.8 t -70.57 -38.23 74.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.58 -35.34 78.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.307 0.575 . . . . 0.0 109.497 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.512 HD12 ' HD3' ' B' ' 442' ' ' LYS . 36.5 tp -68.91 -35.15 76.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.414 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' B' ' 436' ' ' LEU . 4.9 mptp? -60.68 -34.97 75.12 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.491 0.662 . . . . 0.0 109.744 171.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.7 tmt_? -65.83 -41.05 92.28 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.698 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 26.3 mtpp -59.83 -30.68 69.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.924 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.22 -41.26 94.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.361 0.6 . . . . 0.0 109.755 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.94 -1.9 53.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.666 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.698 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 43.8 tt0 -94.15 -26.43 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.974 -175.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.582 -179.802 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.52 ' C4 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 503' ' ' HOH . . . . . 0.522 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.55 -40.7 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.795 0.297 . . . . 0.0 111.508 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -170.46 175.7 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -81.09 95.03 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.225 0.536 . . . . 0.0 109.84 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 180' ' ' LYS . 68.7 mt -98.72 -5.68 31.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.444 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.26 -2.77 54.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.474 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -116.07 134.31 55.09 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.819 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -137.27 132.21 33.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.493 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -114.15 110.17 19.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.589 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.67 156.94 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.956 0.408 . . . . 0.0 111.533 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 89' ' ' PHE . 53.9 mt -130.33 135.13 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.86 121.12 33.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.946 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG21 HD23 ' A' ' 91' ' ' LEU . 34.2 m -119.48 170.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.743 0.306 . . . . 0.0 111.02 -178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 25' ' ' VAL . . . 154.49 -178.94 30.99 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 p -83.28 -15.35 50.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.656 0.741 . . . . 0.0 110.341 -175.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.08 -55.42 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.757 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 43.73 2.98 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 121.187 0.326 . . . . 0.0 112.38 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 21' ' ' GLY . 28.2 m -117.18 -5.91 11.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.46 -0.435 . . . . 0.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 72.57 43.2 45.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.461 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -56.42 -53.81 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.457 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -71.71 -21.46 61.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.571 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -43.44 73.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.165 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD22 HG13 ' A' ' 165' ' ' VAL . 92.9 mt -73.42 -35.73 65.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.245 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 39.9 p -72.53 -42.91 64.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -53.09 -46.81 68.81 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.234 175.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.21 -33.94 76.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.568 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.66 -40.74 84.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 39.7 ttm -82.3 -51.79 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.38 -4.88 28.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -170.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.17 22.52 13.2 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.102 0.477 . . . . 0.0 111.221 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.62 161.98 35.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.633 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.4 147.19 29.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.6 p -60.41 110.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 0.0 111.588 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.25 -56.15 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.221 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -136.38 106.61 6.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.72 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -175.45 91.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.599 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 44.3 mt-10 -81.44 -60.81 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.864 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -72.05 142.99 39.46 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.703 1.602 . . . . 0.0 112.556 -173.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -154.41 44.29 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.423 171.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 78' ' ' ILE . 49.9 mtmt -85.87 -47.78 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -120.19 16.31 12.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.797 0.808 . . . . 0.0 109.399 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 5.3 m-20 -86.34 88.28 7.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.682 -172.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 4.1 t -91.34 137.15 32.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.006 169.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -132.95 103.9 6.29 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.301 0.572 . . . . 0.0 109.932 177.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -77.16 120.24 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.26 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 55.9 tptt -104.87 122.65 46.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.676 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -88.97 125.64 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.878 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.423 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.5 m -129.3 142.84 42.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 9.6 p -100.72 114.94 41.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.7 0.762 . . . . 0.0 110.21 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD11 ' SD ' ' A' ' 173' ' ' MET . 81.5 mt -102.49 104.4 14.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.524 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 73.3 -25.15 0.19 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 124.118 0.886 . . . . 0.0 112.385 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.13 -30.82 0.13 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.659 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.41 137.49 33.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 77.9 mt-10 -84.66 113.36 21.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.37 0.605 . . . . 0.0 109.486 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -106.38 138.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.49 -174.31 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.1 117.87 31.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 110.832 -174.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 tt -111.23 129.3 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.477 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -90.63 123.26 34.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.172 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -108.33 112.41 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.84 0.352 . . . . 0.0 110.52 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD12 ' CH2' ' B' ' 430' ' ' TRP . 11.0 mt -105.34 123.08 47.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.603 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -102.13 148.06 25.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.843 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 p -114.92 148.22 38.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.885 0.374 . . . . 0.0 111.294 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.48 164.54 18.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.95 53.64 0.74 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.725 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.76 171.83 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.907 0.384 . . . . 0.0 111.329 -177.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -14.15 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -53.56 -65.52 0.55 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.831 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' HB3' HD12 ' A' ' 78' ' ' ILE . 71.3 m-85 -77.91 71.46 4.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.35 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -62.02 -23.61 66.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.083 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.1 -7.02 51.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.652 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 47' ' ' LYS . 68.1 mt -110.03 -31.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.97 0.414 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 2.7 ptm180 -91.67 -64.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.491 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.97 -51.75 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.397 . . . . 0.0 111.04 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.599 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 12.8 m120 -70.08 -18.29 63.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.999 -172.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.2 m-30 -83.11 -26.34 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 19.7 m-30 -61.62 -24.03 66.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.511 ' HG3' ' OE2' ' B' ' 426' ' ' GLU . 3.9 tmt_? -51.33 -58.34 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.887 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.17 25.67 8.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.117 0.484 . . . . 0.0 110.975 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.73 164.1 30.04 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.609 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 39.3 mt-10 -119.73 -71.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.345 0.572 . . . . 0.0 110.191 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.43 130.08 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.998 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.2 m-85 -116.49 117.3 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.159 0.504 . . . . 0.0 111.192 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.8 mt -94.71 106.53 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.922 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 123' ' ' LEU . 28.1 mt -86.96 105.39 17.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.34 131.17 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.321 0.582 . . . . 0.0 110.403 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 30.7 p90 -138.28 175.97 9.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.871 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -115.78 145.64 42.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.808 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.622 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -85.05 0.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.283 -174.021 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -97.42 -61.26 1.42 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.357 176.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -70.33 103.89 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.432 0.634 . . . . 0.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.9 -28.49 68.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.565 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -64.6 -27.62 69.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -75.88 -34.94 60.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.393 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -73.87 -32.98 63.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 110.609 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.9 63.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.151 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.4 p -57.85 -43.2 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.65 -33.6 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.65 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.02 -40.89 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.387 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -58.4 -45.69 87.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.05 0.452 . . . . 0.0 110.049 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -54.98 -52.97 61.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.18 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.62 -31.61 71.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.39 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -63.84 -39.36 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.471 175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.375 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.95 -26.34 64.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.178 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 113' ' ' ARG . 23.5 ttt180 -62.91 -36.4 83.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.5 m -93.96 3.17 8.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.214 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.536 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 49.9 mttm -128.24 -90.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.73 0.44 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -110.94 75.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.684 0.754 . . . . 0.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.536 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 9.9 pt-20 -143.13 -164.82 1.93 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.252 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -67.01 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.775 0.261 . . . . 0.0 111.145 -172.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.931 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.8 mmmt -141.96 149.96 40.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.5 mt -119.52 93.21 47.11 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.786 0.326 . . . . 0.0 110.292 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.538 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 72.4 Cg_endo -84.38 121.24 2.61 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.211 2.607 . . . . 0.0 113.095 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.562 HD23 HD11 ' A' ' 91' ' ' LEU . 6.7 mp -116.27 157.91 24.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.669 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 125' ' ' VAL . 5.2 tt -147.76 132.09 17.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.48 HG23 HG21 ' A' ' 152' ' ' VAL . 17.8 t -98.11 121.34 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.239 0.543 . . . . 0.0 110.943 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.92 124.13 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.568 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.76 103.73 2.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.676 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.8 t30 -98.08 170.08 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 69.85 18.61 7.32 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.588 0.555 . . . . 0.0 110.773 -174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -61.16 -13.52 18.4 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.358 0.599 . . . . 0.0 110.06 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 158' ' ' SER . 1.6 m-20 -63.84 -19.18 64.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.938 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' CG2' ' A' ' 96' ' ' THR . 29.9 mt -72.47 -55.19 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.493 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 65.75 -73.54 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.778 0.674 . . . . 0.0 112.203 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.55 -28.76 65.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.784 0.326 . . . . 0.0 111.421 -175.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 44.9 mtp180 -86.22 4.5 38.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.311 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 136' ' ' ARG . 39.9 ttp180 -58.35 113.58 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -95.96 -22.78 17.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.06 117.16 52.41 Favored Pre-proline 0 C--N 1.322 -0.598 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.178 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.17 126.2 21.72 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -59.82 -24.78 30.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.616 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.579 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.68 -43.91 62.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.514 0.673 . . . . 0.0 110.184 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.92 79.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.954 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 12.7 mtp85 -71.71 -32.2 67.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.2 t -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 30.2 mmtp -68.11 -33.89 75.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.627 0.251 . . . . 0.0 111.147 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.93 -44.6 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 110.092 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -64.99 -32.71 74.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.241 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.94 -45.99 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.27 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -84.39 -26.19 28.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.15 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.47 36.18 3.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.985 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 125' ' ' VAL . 29.3 m -129.77 -178.96 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-O 120.617 0.246 . . . . 0.0 110.51 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -107.81 141.7 38.99 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 92.5 t80 -104.16 119.88 39.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.463 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.71 131.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.707 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -85.7 115.77 23.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.884 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' ' 163' ' ' ALA . 31.9 p -115.51 129.74 56.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 111.715 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.429 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 11.4 m -112.2 111.25 22.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.943 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.839 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -84.02 -7.87 59.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -171.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -92.85 -4.0 53.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.1 t -144.25 -1.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.311 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 59.36 84.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 157' ' ' THR . . . -120.36 107.81 13.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.174 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 64.64 17.88 11.13 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.735 0.647 . . . . 0.0 111.858 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.434 HG13 HD22 ' A' ' 30' ' ' LEU . 91.8 t -62.55 -52.12 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.83 -19.96 59.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.786 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 61.9 tttp -60.18 -47.73 84.7 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.276 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -60.07 -29.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -75.52 -54.17 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.863 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.52 -38.71 90.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 111.368 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.8 OUTLIER -63.66 -51.05 66.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.467 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -67.38 -29.86 69.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.421 ' SD ' HD11 ' A' ' 57' ' ' LEU . 20.2 ttm -64.77 -33.97 77.23 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -67.12 -44.78 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.6 mt-10 -62.63 -31.81 72.73 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 172' ' ' LEU . 74.6 mt -59.09 -30.72 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.535 0.207 . . . . 0.0 110.986 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -64.2 -42.66 96.52 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 m -66.95 -35.43 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.305 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.931 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.4 mptt -68.08 -31.79 71.66 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.404 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 63.5 mmtt -72.05 -34.06 68.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.458 . . . . 0.0 110.056 174.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.1 mtm -85.84 -1.76 57.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 -176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.1 m 65.8 -168.76 0.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.558 0.536 . . . . 0.0 110.921 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.42 -40.81 75.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.867 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 63.3 t30 62.71 17.49 9.84 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.899 0.857 . . . . 0.0 109.693 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -175.861 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.671 ' HB2' ' HB2' ' B' ' 396' ' ' ALA . 14.8 p -157.79 -79.35 0.07 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.658 0.229 . . . . 0.0 110.912 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 54.67 -95.39 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.191 0.596 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 20.6 m -75.72 -35.8 60.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.069 0.461 . . . . 0.0 109.929 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.99 -27.13 68.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' B' ' 392' ' ' SER . . . -57.82 -53.25 60.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.309 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.45 96.41 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.038 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.573 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.5 mm -60.42 -52.64 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.367 0.127 . . . . 0.0 110.953 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.89 -42.64 90.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.65 0.262 . . . . 0.0 111.536 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.1 mm-40 -66.44 -39.99 89.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.573 ' HB3' HD21 ' B' ' 439' ' ' LEU . 1.8 tp10 -67.7 -35.04 78.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.059 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 398' ' ' ILE . 79.2 mt -61.74 -52.41 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.427 HH21 ' CD ' ' B' ' 400' ' ' GLU . 62.0 mtm180 -61.77 -29.96 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.669 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 401' ' ' GLU . 73.2 ttt180 -63.45 -49.77 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.643 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' B' ' 436' ' ' LEU . 29.2 mm-40 -71.89 -33.82 68.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.83 -44.7 93.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.71 -48.09 80.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.17 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.715 ' HB2' HG21 ' B' ' 432' ' ' VAL . 44.2 mt -59.83 -51.39 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.51 HD23 ' HB1' ' A' ' 48' ' ' ALA . 21.2 tp -62.67 -46.72 86.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.516 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -56.92 -48.72 77.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.421 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.44 -54.53 45.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 65.9 mt -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.89 -44.09 91.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.03 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -77.18 -44.63 29.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.643 0.259 . . . . 0.0 111.326 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.554 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.691 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 42.9 mt -71.04 -26.22 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -64.5 -19.14 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.115 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.17 88.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.462 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.54 -15.39 53.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.975 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.1 mt -86.22 124.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.595 ' HA ' HD22 ' B' ' 416' ' ' LEU . 24.4 pttm -148.01 152.59 37.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.046 0.451 . . . . 0.0 110.305 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.504 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.2 t70 -148.37 162.01 40.42 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.411 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.5 mp -65.37 -28.03 68.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.907 0.384 . . . . 0.0 110.829 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 18.5 p -63.5 -35.63 81.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.137 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.504 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.2 mmtt -73.31 -47.89 38.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.558 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.511 ' OE2' ' HG3' ' A' ' 84' ' ' ARG . 31.1 mt-10 -60.83 -47.42 86.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.281 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.33 -34.79 70.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.8 tpt180 -64.96 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.907 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.601 HD11 HD12 ' B' ' 416' ' ' LEU . 15.9 mt -56.54 -57.73 11.07 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.923 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.577 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 36.2 m95 -64.55 -31.55 72.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.514 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 38.1 tt0 -67.29 -56.33 10.22 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' B' ' 408' ' ' LEU . 9.9 p -63.78 -32.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.314 0.578 . . . . 0.0 109.678 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 24.3 tp60 -56.45 -57.74 10.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.806 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -63.36 -27.96 69.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.278 -176.459 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.9 mt -70.6 -49.77 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.441 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 33.0 tp -58.27 -39.53 79.46 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.1 t -71.47 -42.53 68.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.647 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.26 -34.5 78.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.379 0.609 . . . . 0.0 109.634 176.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' B' ' 401' ' ' GLU . 21.9 tp -69.24 -32.57 71.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.03 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 34.7 mmtp -60.75 -37.02 80.39 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.432 0.634 . . . . 0.0 109.575 171.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 4.6 tmt_? -63.78 -40.61 97.09 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 20.2 mtpp -64.67 -27.67 69.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.957 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' B' ' 402' ' ' ILE . 40.8 tp -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -83.71 -1.67 54.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.046 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.688 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 31.2 tt0 -85.81 -54.27 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.884 -177.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.933 -176.641 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.839 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 112.019 -0.433 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -133.34 -168.68 2.14 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -65.19 157.66 28.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -62.61 95.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.92 -27.2 33.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.206 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.587 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -83.56 18.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.138 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' O ' ' HE3' ' A' ' 180' ' ' LYS . 62.6 tp -130.78 129.57 42.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.76 148.92 46.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.569 0.223 . . . . 0.0 110.837 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -118.94 119.55 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.005 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -125.09 123.78 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' CE1' ' A' ' 89' ' ' PHE . 66.4 mt -109.51 129.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mmm -87.31 101.54 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.802 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.68 139.41 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.108 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.66 146.4 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.917 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 7.7 t -80.53 94.02 6.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 95.53 -72.08 0.94 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.56 105.72 0.33 Allowed Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.086 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 93' ' ' PHE . 60.4 t -74.56 -75.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.889 0.375 . . . . 0.0 110.298 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.69 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . -158.48 33.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.948 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 17.0 pttp -79.29 -8.81 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -79.06 -29.58 43.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.087 0.47 . . . . 0.0 110.26 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.07 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.038 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.83 -45.91 88.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.427 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.455 HG21 HG21 ' A' ' 66' ' ' ILE . 36.2 p -76.52 -39.23 53.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.469 -175.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 40' ' ' VAL . 21.9 tp -55.24 -41.05 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 110.843 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.75 -30.81 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -72.3 -49.18 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.638 ' SD ' HD12 ' A' ' 66' ' ' ILE . 3.8 mpp? -70.4 -45.98 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 96.9 m-85 -96.46 -88.85 0.27 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.648 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 34.6 t70 168.6 -30.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.077 0.465 . . . . 0.0 111.27 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.56 150.51 20.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.211 0.529 . . . . 0.0 111.498 -171.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -76.1 138.76 40.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.415 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' HB ' HD23 ' A' ' 32' ' ' LEU . 7.1 p -67.18 119.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.513 0.673 . . . . 0.0 111.509 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -94.01 -48.43 6.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.145 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -145.76 136.0 23.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.162 171.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -171.26 91.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 15.2 mm-40 -66.66 -56.88 13.32 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -167.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 51.2 Cg_exo -51.59 -93.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 122.771 2.314 . . . . 0.0 114.664 -168.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.742 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 18.0 p 48.84 34.32 5.23 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -86.36 -47.43 9.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.353 0.597 . . . . 0.0 109.415 171.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.5 12.88 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.742 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.3 m-20 -73.33 93.75 1.95 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.923 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 18.9 m -108.87 174.51 5.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.51 -0.768 . . . . 0.0 108.94 176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 13.0 t80 -156.1 140.05 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -99.78 112.42 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 58.6 tptt -109.84 140.6 43.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.308 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 9.0 ttmt -109.55 127.59 54.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.1 m -139.43 149.25 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.449 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.6 p -120.27 138.77 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.075 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 44.1 mt -139.23 124.25 18.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.555 169.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 6.5 t70 83.12 -49.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.169 0.918 . . . . 0.0 112.9 175.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.66 -71.61 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 118.874 -1.631 . . . . 0.0 114.841 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.7 pt-20 -92.55 139.48 30.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.82 0.31 . . . . 0.0 110.908 -170.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.9 mt-10 -71.21 124.45 24.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.439 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -106.6 140.77 23.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 -173.423 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -113.1 124.08 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.201 0.524 . . . . 0.0 109.964 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.56 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.6 tt -123.54 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.34 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.74 117.63 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.638 HD12 ' SD ' ' A' ' 35' ' ' MET . 30.1 mt -107.74 131.32 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.4 121.18 40.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.217 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 35.2 t0 -99.35 108.14 20.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -82.65 142.43 31.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.4 113.8 14.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.526 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -83.38 71.37 3.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.514 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -139.13 171.41 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.828 0.347 . . . . 0.0 110.813 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.0 5.15 47.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.491 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.2 m-20 -86.17 -82.88 0.19 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.439 0.638 . . . . 0.0 111.062 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.4 m-85 -78.63 78.78 5.07 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.325 -174.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.12 -16.81 63.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.087 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -70.18 -13.19 62.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.01 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.563 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 68.6 mt -99.31 -37.49 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' NH2' ' HG2' ' A' ' 110' ' ' GLN . 4.0 ttp180 -87.15 -68.01 0.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.135 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.32 -42.57 30.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.702 -172.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.915 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER -70.41 -17.66 63.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.645 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 6.2 m-85 -87.74 -20.64 25.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -63.16 -26.65 68.91 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -57.31 -66.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -75.93 25.93 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.99 144.4 17.25 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.165 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.557 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 59.9 mt-10 -101.8 -70.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.13 143.08 15.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.027 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE1' HD12 ' A' ' 18' ' ' ILE . 89.4 m-85 -126.02 127.44 45.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.407 . . . . 0.0 111.004 -176.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.77 115.36 30.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.702 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 HG22 ' A' ' 125' ' ' VAL . 83.8 mt -88.77 107.49 18.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 128' ' ' ASN . 97.8 t -99.51 118.28 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.311 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.68 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 10.4 p90 -144.95 154.15 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.075 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.6 p -100.56 147.28 26.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.566 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -86.99 6.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.599 HG23 HD22 ' A' ' 132' ' ' LEU . 17.4 p -86.46 -49.88 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.379 0.609 . . . . 0.0 109.438 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.59 102.97 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.144 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -68.5 -18.78 64.46 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.533 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 99' ' ' GLU . 5.6 tp10 -65.37 -28.75 69.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 0.0 110.484 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.68 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 42.3 m -67.4 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 0.0 110.298 176.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.3 t80 -78.65 -24.93 44.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.174 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -39.51 29.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.337 0.589 . . . . 0.0 109.845 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.66 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.844 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.646 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 1.2 p -63.58 -28.78 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.471 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.22 85.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.458 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.93 -44.98 94.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.98 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 7.4 m-85 -58.93 -50.98 71.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.082 0.468 . . . . 0.0 109.968 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.14 -46.02 83.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.432 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.04 -33.92 74.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.731 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.438 ' HG2' ' NH2' ' A' ' 79' ' ' ARG . 5.7 tp-100 -67.66 -36.2 80.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 107' ' ' PHE . 84.4 mt -64.08 -45.24 97.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.137 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -76.3 -38.49 56.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -93.18 -4.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.784 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.8 mttm -130.98 -69.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.997 0.427 . . . . 0.0 111.444 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 59.59 79.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.816 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.77 41.13 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.386 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.7 -45.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.679 0.275 . . . . 0.0 110.682 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.03 -90.35 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.597 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 37.5 mmtm -151.94 125.54 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.4 mt -112.09 97.86 40.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.417 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.557 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 93.2 Cg_endo -86.91 116.74 1.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.745 2.297 . . . . 0.0 112.523 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.597 ' HB2' HG11 ' A' ' 152' ' ' VAL . 7.2 mp -111.73 150.61 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.175 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 153' ' ' GLN . 1.0 OUTLIER -136.86 113.54 10.26 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.453 HG22 HD12 ' A' ' 91' ' ' LEU . 20.7 t -81.11 118.65 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.275 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.14 109.89 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.402 -173.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.4 91.7 0.65 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.494 ' HB2' HG13 ' A' ' 92' ' ' VAL . 66.7 t30 -89.24 142.95 27.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 132' ' ' LEU . 23.7 tptm 68.28 67.41 0.33 Allowed 'General case' 0 C--O 1.221 -0.431 0 O-C-N 123.909 0.755 . . . . 0.0 109.73 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -101.69 8.05 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.793 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.33 14.99 3.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.548 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -95.61 -56.53 2.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.975 176.33 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 132' ' ' LEU . 12.7 tt0 62.12 -66.4 0.08 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.252 1.021 . . . . 0.0 112.87 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.65 -14.31 50.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 112.016 -175.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 5.0 mpt_? -110.76 21.26 16.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.57 114.5 10.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -114.03 -3.36 13.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 111.157 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 95' ' ' ILE . 83.1 t -108.44 108.1 60.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.93 122.08 11.02 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.211 1.941 . . . . 0.0 111.008 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -58.98 -21.82 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.43 -55.14 37.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.51 -33.63 60.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -57.54 -48.66 78.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.014 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -69.59 -39.74 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.076 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.6 t -55.36 -35.97 65.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.661 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.6 mmtt -68.31 -34.34 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.422 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -64.29 -43.92 93.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 176.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.94 -29.85 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.03 -40.22 94.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.499 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -95.89 2.89 53.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 69.11 34.02 75.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.65 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.597 HG11 ' HB2' ' A' ' 123' ' ' LEU . 34.0 m -120.53 -167.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.763 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -116.35 162.04 18.12 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.319 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 82.1 t80 -132.18 119.03 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.705 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.91 132.58 67.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.011 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.95 146.17 26.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -133.21 130.3 38.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.362 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.412 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 21.9 m -116.59 95.08 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 173.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.423 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -67.51 -22.56 65.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.486 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 26.2 tptp -64.19 -14.03 52.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 t -144.03 10.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.466 0.651 . . . . 0.0 109.919 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 53.76 61.15 3.23 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.41 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -106.63 114.67 28.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.567 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 66.86 12.8 9.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.88 0.738 . . . . 0.0 112.015 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.92 -45.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.371 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.81 -33.66 62.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.17 -51.04 69.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.283 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.86 -31.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.453 ' CZ ' HG22 ' A' ' 31' ' ' THR . 93.8 m-85 -75.29 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.653 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -60.56 -37.44 81.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.396 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -51.11 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.4 tp -67.34 -36.14 80.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.24 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.56 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.1 mtp -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.74 -41.72 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.818 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 25.1 mt-10 -59.17 -39.54 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.481 177.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 57.7 mt -58.1 -29.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.456 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -61.54 -49.29 77.27 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.34 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.3 m -63.0 -36.58 84.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.669 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.597 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 14.4 mptt -61.58 -42.87 99.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.522 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 14' ' ' LEU . 68.9 mttm -69.24 -36.02 76.73 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.018 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.0 mtt -70.93 -22.27 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.236 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 5.7 t 65.8 -165.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.204 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.673 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 8.3 tp10 -157.28 142.07 16.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -158.34 9.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.19 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.673 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 25.2 pttm . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.462 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 49.2 m 59.51 32.46 21.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 111.273 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.74 -49.02 67.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.489 ' O ' HG12 ' B' ' 398' ' ' ILE . 74.2 m -74.73 -28.36 60.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.944 177.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.16 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.92 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.11 0.481 . . . . 0.0 110.84 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.18 -35.78 91.38 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.022 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.49 ' O ' HG13 ' B' ' 402' ' ' ILE . 40.3 mm -57.04 -49.59 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.681 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.2 -42.36 86.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -63.94 -46.5 84.45 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.46 -44.49 96.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.399 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' B' ' 439' ' ' LEU . 91.8 mt -53.66 -54.76 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.061 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -65.02 -30.21 71.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 61.9 ttt180 -62.27 -47.83 82.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.924 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.1 mm-40 -76.47 -31.45 57.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 61.9 mt-10 -59.98 -42.17 93.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.77 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.571 ' HB2' HG21 ' B' ' 432' ' ' VAL . 38.4 mt -62.87 -52.41 63.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.435 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -60.61 -41.28 94.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.424 0.63 . . . . 0.0 109.968 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -55.69 -46.92 77.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.67 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.8 t -60.46 -55.43 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.429 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.0 mm? -54.59 -40.08 68.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 178.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -63.66 -40.16 96.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.157 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.456 ' HA ' HE21 ' B' ' 417' ' ' GLN . 92.0 mtt180 -75.64 -46.97 28.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 111.133 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.23 -47.17 85.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.574 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 425' ' ' LYS . 7.0 mp -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' B' ' 414' ' ' ARG . 40.9 mt-30 -61.86 -19.74 62.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.333 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.41 2.17 78.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.686 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.98 28.04 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.027 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 46.7 mt -95.42 116.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -128.16 143.08 51.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.777 0.799 . . . . 0.0 112.097 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.446 ' H ' ' CG ' ' B' ' 425' ' ' LYS . 14.3 t70 -150.11 171.44 16.88 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 171.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 7.6 mp -71.74 -29.68 64.78 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 14.0 m -65.29 -38.25 89.65 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.022 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.677 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -64.46 -38.39 90.86 Favored 'General case' 0 C--N 1.342 0.239 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.105 -172.517 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.677 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 pt-20 -73.89 -37.13 64.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.6 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 52.4 mt-10 -62.52 -42.23 99.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.711 ' O ' HG12 ' B' ' 432' ' ' VAL . 37.7 mmt180 -61.05 -50.91 71.42 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.016 174.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.615 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.7 mt -56.31 -57.01 14.06 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.172 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.669 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 70.9 m95 -60.63 -35.47 76.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.376 0.423 . . . . 0.0 111.257 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 6.6 tp10 -72.81 -55.81 6.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.449 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.711 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.3 p -62.29 -33.03 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.162 0.506 . . . . 0.0 110.273 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -55.12 -54.6 41.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.481 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.669 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.32 -27.5 63.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -177.063 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 432' ' ' VAL . 68.6 mt -67.44 -48.22 78.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.954 0.407 . . . . 0.0 109.974 175.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD21 ' HG2' ' B' ' 406' ' ' GLU . 32.0 tp -59.35 -43.56 92.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.456 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.7 t -67.2 -34.35 77.3 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.867 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.8 mp -63.04 -40.31 97.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.627 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -58.36 -43.18 88.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 109.912 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -64.89 -43.43 92.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.819 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 13.9 mmmm -58.37 -33.87 70.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.496 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.6 ' HB2' HD11 ' B' ' 402' ' ' ILE . 45.8 tp -68.54 -37.57 80.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.326 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -82.8 -3.94 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.428 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.42 -42.56 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.056 -177.123 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.69 ' O2A' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -111.9 105.96 14.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.914 0.387 . . . . 0.0 110.555 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -160.99 -72.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.99 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -121.46 -14.13 8.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.361 0.601 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt 63.67 21.66 12.79 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.75 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.44 17.15 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.305 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.794 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 tp -124.28 115.49 21.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.605 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.87 132.66 53.79 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.916 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.794 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -100.3 115.31 29.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.26 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 64' ' ' ILE . 89.7 t -109.43 114.15 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.986 0.422 . . . . 0.0 110.968 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.01 124.97 66.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.4 mtt -87.9 106.8 18.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.947 0.403 . . . . 0.0 110.401 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 91' ' ' LEU . 15.2 m -95.84 127.73 47.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 171.99 -28.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.996 -177.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 5.7 m 77.78 -63.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.843 0.457 . . . . 0.0 110.644 176.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 147.67 48.83 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.19 65.39 4.08 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.184 -1.008 . . . . 0.0 111.236 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 t -71.58 65.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.986 0.898 . . . . 0.0 110.854 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' HA2' " O3'" ' A' ' 500' ' ' GNP . . . 71.5 7.61 64.85 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-N 114.583 -1.189 . . . . 0.0 113.234 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' A' ' 68' ' ' ASP . 12.9 ptmm? -57.7 -37.82 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' HD13 ' A' ' 32' ' ' LEU . 29.3 m -60.9 -42.76 98.65 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.97 -43.5 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 90.5 mt -58.4 -46.42 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.21 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.463 HG22 HG21 ' A' ' 66' ' ' ILE . 69.4 p -67.1 -40.34 86.87 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.94 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 ' HB ' ' A' ' 40' ' ' VAL . 10.1 mp -66.38 -33.74 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.285 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 76.2 mm-40 -57.77 -43.66 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.0 110.698 175.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.11 -50.88 14.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.874 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 67.8 mtm -78.06 -43.21 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 5.3 m-85 -95.67 -18.03 20.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.375 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.6 m-20 70.1 9.73 7.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.667 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.51 169.97 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.181 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.94 149.74 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.683 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.6 p -74.05 102.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.495 0.664 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.79 -45.27 8.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.486 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -145.61 96.03 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.182 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' HG23 ' A' ' 40' ' ' VAL . 48.7 t80 -164.63 92.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.009 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.0 mt-10 -76.29 -57.75 1.32 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.229 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 14.9 Cg_endo -55.28 109.57 0.43 Allowed 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.628 2.219 . . . . 0.0 113.347 -173.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -151.29 48.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.759 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -87.11 -60.16 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 0.0 110.218 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.65 20.81 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.342 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.4 m-20 -75.38 83.37 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.645 -172.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' OG ' HD12 ' A' ' 67' ' ' LEU . 35.0 m -91.16 148.64 22.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.296 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 29.6 t80 -144.14 158.81 43.5 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 6.0 ptp180 -112.92 138.98 48.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HG3' HG13 ' A' ' 55' ' ' VAL . 48.4 tptt -106.08 125.89 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.123 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -79.78 111.23 15.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.638 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.2 m -137.92 144.88 29.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.4 p -120.3 128.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.187 0.518 . . . . 0.0 109.681 173.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 57' ' ' LEU . 0.6 OUTLIER -126.21 98.03 5.31 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.97 29.5 19.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.467 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.01 -122.09 0.59 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.361 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 pt-20 -109.4 168.88 9.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -58.76 120.97 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.13 0.49 . . . . 0.0 110.979 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -106.93 147.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.036 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -113.8 117.61 31.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.622 0.725 . . . . 0.0 110.29 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 17' ' ' VAL . 6.5 tt -113.54 113.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 42.9 m-20 -90.44 126.36 35.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 HG22 ' A' ' 31' ' ' THR . 30.4 mm -106.46 112.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OG ' ' A' ' 50' ' ' SER . 61.2 tp -82.86 107.16 15.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.236 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 26.5 t70 -83.57 88.46 7.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 m -79.19 139.66 37.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.244 -173.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.18 135.38 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.865 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -129.69 91.54 0.31 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.838 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.676 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.1 pt? -151.91 -171.78 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -175.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.34 2.33 32.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.392 . . . . 0.0 111.369 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.676 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 7.4 m-20 -110.15 -75.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.396 0.617 . . . . 0.0 111.177 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.466 ' HB2' HD21 ' A' ' 72' ' ' LEU . 98.5 m-85 -79.82 85.48 5.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.418 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' ARG . . . -93.23 -26.25 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.634 176.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -66.92 -20.8 65.97 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 75' ' ' TYR . 10.2 mt -77.19 -30.15 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.564 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -92.76 -65.95 0.96 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.051 178.685 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.34 -46.92 81.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.149 0.499 . . . . 0.0 111.88 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.97 -17.25 57.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.98 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' OH ' HD11 ' B' ' 409' ' ' LEU . 6.5 m-85 -87.32 -15.14 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 20' ' ' VAL . 19.7 m-85 -63.58 -16.66 61.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.8 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -65.46 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.638 -174.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.4 m -86.02 36.6 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -170.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.96 143.94 13.6 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.4 OUTLIER -109.67 -35.39 6.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 117.653 0.727 . . . . 0.0 111.79 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.23 115.23 3.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.421 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -117.56 112.65 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.138 0.494 . . . . 0.0 111.005 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 124' ' ' LEU . 77.7 mt -91.7 109.49 20.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.84 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.544 ' HA ' HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -79.27 105.88 10.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 126' ' ' VAL . 19.1 m -113.73 132.19 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 112.111 -174.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -152.04 163.28 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.692 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 96' ' ' THR . 18.6 p -102.64 138.91 38.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.568 HG13 ' HE ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.8 15.78 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.351 0.596 . . . . 0.0 111.494 -176.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 132' ' ' LEU . 15.3 p -122.97 5.93 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.378 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -124.28 102.21 7.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.515 0.674 . . . . 0.0 109.492 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -65.67 -31.53 72.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.288 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.23 -44.69 83.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.95 -176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.1 p -64.83 -26.64 68.42 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.613 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.89 -50.91 45.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.4 m -66.55 -28.22 68.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.383 0.611 . . . . 0.0 110.517 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.26 61.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.306 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.2 p -51.31 -46.74 62.64 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 111.677 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.35 -41.94 84.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -58.09 -47.15 84.1 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.29 -44.11 83.77 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.627 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -65.15 -38.06 89.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.395 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.32 -38.36 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.165 0.507 . . . . 0.0 109.945 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 107' ' ' PHE . 74.8 mt -64.05 -54.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.12 -17.99 65.11 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -66.59 -33.74 76.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.076 0.465 . . . . 0.0 110.755 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.721 HG23 ' HG2' ' A' ' 115' ' ' LYS . 32.9 m -111.02 3.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.244 0.545 . . . . 0.0 110.733 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 12.0 mmmm -136.16 -148.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 77.86 -0.36 2.71 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.179 0.992 . . . . 0.0 111.705 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -111.83 12.78 20.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.101 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.673 ' OE1' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.85 -160.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -175.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.6 -73.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 0.0 110.341 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 16.2 tppt? -168.75 136.41 2.0 Allowed 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 115' ' ' LYS . 85.2 mt -94.47 108.63 37.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.898 0.38 . . . . 0.0 111.217 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.1 Cg_endo -84.24 125.84 3.59 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.78 2.32 . . . . 0.0 111.601 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.1 144.77 38.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.071 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.802 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.6 tp -139.11 116.27 11.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 172.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.403 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.4 t -89.15 126.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.556 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -120.18 132.62 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.29 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.3 113.46 4.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.984 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 62.9 t30 -96.21 164.26 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 12.8 mptt 74.13 25.75 1.76 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.764 0.665 . . . . 0.0 111.501 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.8 t -65.83 -9.07 25.55 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.409 0.623 . . . . 0.0 109.895 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.4 -15.12 62.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.042 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.857 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.2 mt -77.2 -45.7 25.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.811 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 63.86 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.178 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.54 -17.45 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.137 0.494 . . . . 0.0 110.91 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.857 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.7 mtp180 -87.34 -0.23 56.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.887 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.568 ' HE ' HG13 ' A' ' 95' ' ' ILE . 41.4 ttm180 -53.84 113.85 1.36 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.539 ' H ' ' HA ' ' A' ' 96' ' ' THR . 30.1 mm-40 -91.24 -27.08 18.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.9 p -114.13 122.47 34.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.98 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.12 119.67 6.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 111.246 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.09 -12.03 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.292 0.568 . . . . 0.0 109.893 -176.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -57.54 -46.51 83.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.478 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.76 -14.31 54.7 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.41 -34.36 41.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.218 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.6 mtp180 -66.26 -35.94 81.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.983 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -58.41 -30.92 67.24 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.863 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -65.32 -48.68 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.324 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.08 93.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.08 -37.26 86.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.94 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -45.89 70.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.06 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -77.01 -16.66 59.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.19 32.81 10.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.113 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.57 -179.05 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.595 0.236 . . . . 0.0 110.803 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.802 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -103.07 163.2 12.36 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.949 0.404 . . . . 0.0 111.31 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -134.43 127.64 31.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.946 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.86 131.41 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.361 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.82 144.03 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.552 ' HB ' HG22 ' A' ' 165' ' ' VAL . 31.1 p -128.18 140.33 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.258 0.552 . . . . 0.0 112.147 -175.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 20.7 t -102.34 123.16 45.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.515 172.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.11 -1.77 47.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.685 0.278 . . . . 0.0 111.263 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 160' ' ' LYS . 25.1 tptp -92.11 -22.5 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.014 0.435 . . . . 0.0 110.941 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.6 t -130.37 1.01 4.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.456 0.646 . . . . 0.0 109.805 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 56.07 71.71 0.54 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.053 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -116.88 129.39 56.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.929 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 71.17 -4.6 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.871 0.732 . . . . 0.0 111.912 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 157' ' ' THR . 62.0 t -70.23 -43.61 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.123 -176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -71.29 -23.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 34.0 tttm -60.04 -56.43 21.79 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.405 HG11 HG22 ' A' ' 126' ' ' VAL . 34.9 m -60.45 -28.84 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.411 ' O ' ' HG3' ' A' ' 173' ' ' MET . 82.7 m-85 -70.09 -52.1 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.619 0.247 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -69.7 -34.97 74.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.198 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 31.1 t0 -60.46 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.67 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.5 tp -69.62 -34.1 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.412 ' SD ' HD12 ' A' ' 64' ' ' ILE . 53.1 mtm -61.76 -31.54 71.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.353 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -70.98 -33.98 70.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.118 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.39 -38.71 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.552 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.5 mt -55.17 -39.2 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.944 -175.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 177' ' ' ARG . 7.3 ptp180 -71.08 -39.65 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.533 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 25.8 m -71.53 -33.65 69.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.44 -43.66 98.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.235 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 33.3 mmtp -73.7 -40.95 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.57 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.6 mtm -72.13 -28.57 63.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.07 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 14.9 t 62.7 -159.35 0.32 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.502 0.501 . . . . 0.0 109.989 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -86.43 -173.36 4.49 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 65.25 80.94 0.22 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.495 0.664 . . . . 0.0 109.931 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 55.2 mttp . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.043 -178.258 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.483 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 8.6 t 76.69 5.82 3.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.311 0.645 . . . . 0.0 111.45 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -62.51 -42.78 99.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.027 0.441 . . . . 0.0 109.935 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.458 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.7 m -69.2 -38.0 78.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.06 -37.16 86.1 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.09 82.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.408 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.95 95.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.908 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' B' ' 443' ' ' LEU . 38.4 mm -60.86 -50.61 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 402' ' ' ILE . 96.2 mttt -60.49 -34.66 74.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.95 -38.25 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.511 0.196 . . . . 0.0 111.086 175.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' B' ' 439' ' ' LEU . 58.7 mt-10 -68.3 -38.82 82.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.245 176.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.657 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.95 -50.37 53.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.527 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 21.9 mmm180 -56.35 -42.34 77.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.962 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 34.3 ttm180 -59.83 -47.89 83.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.107 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.603 ' HB2' HD23 ' B' ' 436' ' ' LEU . 69.0 mm-40 -71.32 -28.98 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.27 -177.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 46.5 mt-10 -59.95 -45.17 93.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.31 -46.07 71.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.1 mt -60.15 -47.28 86.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.56 HD11 ' OH ' ' A' ' 82' ' ' TYR . 43.1 tp -69.42 -32.6 71.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.012 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.74 -47.61 82.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.9 t -59.41 -51.85 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' B' ' 429' ' ' LEU . 1.9 mm? -54.05 -46.45 71.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.347 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.473 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 25.8 m170 -57.87 -49.06 77.98 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.135 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -69.68 -38.0 76.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.2 -48.39 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 425' ' ' LYS . 7.0 mp -68.81 -32.92 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.549 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 2.8 mt-30 -69.34 -9.69 54.5 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.051 0.453 . . . . 0.0 111.012 176.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.17 86.77 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.25 28.14 5.61 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.129 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 53.2 mt -132.52 127.8 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.912 0.356 . . . . 0.0 110.091 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -133.37 152.42 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 0.0 111.367 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.622 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.7 t70 -149.86 161.54 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.318 171.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.4 -32.14 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.716 0.293 . . . . 0.0 111.254 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.63 -33.02 74.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.252 0.549 . . . . 0.0 110.003 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' B' ' 416' ' ' LEU . 47.1 mmtt -72.69 -45.44 58.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.927 -176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.56 -43.99 95.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.385 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -63.55 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.662 ' O ' HG23 ' B' ' 432' ' ' VAL . 24.9 tpt180 -70.85 -37.1 73.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.578 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 7.6 mt -59.39 -44.74 92.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.544 0.212 . . . . 0.0 111.396 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.695 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 37.3 m95 -69.34 -32.63 71.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.52 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -61.84 -55.85 25.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.92 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -61.92 -34.65 63.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 121.31 0.576 . . . . 0.0 109.625 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.468 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.8 tp60 -55.46 -51.2 67.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.99 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.73 -25.78 62.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.144 -178.717 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' B' ' 432' ' ' VAL . 30.3 mt -75.12 -43.95 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.564 177.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.42 -41.08 79.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.112 174.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.612 HG22 ' HA ' ' B' ' 434' ' ' ARG . 6.2 t -77.41 -32.85 55.0 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.596 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.22 -36.31 83.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.926 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -64.02 -35.53 81.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.927 176.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -60.2 -37.24 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.256 0.551 . . . . 0.0 109.549 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.83 -43.04 69.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.349 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.926 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.3 mtpt -58.72 -33.34 70.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.788 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' B' ' 398' ' ' ILE . 3.0 tm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -74.1 -22.91 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.652 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -73.32 -33.33 65.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.647 -179.039 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.444 " O3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.924 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -25.09 68.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -149.75 -157.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 t -66.16 85.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.234 0.54 . . . . 0.0 109.9 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt -141.36 -21.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.595 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.625 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -94.97 3.39 55.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 111.606 -172.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -129.54 129.53 44.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.308 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -132.22 140.58 48.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.637 0.256 . . . . 0.0 110.757 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -119.16 107.58 13.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 64' ' ' ILE . 30.4 m -115.54 119.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.701 0.762 . . . . 0.0 110.669 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.65 113.39 43.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.3 ttm -84.74 108.62 17.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.354 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.96 170.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.571 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 150.46 166.06 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -85.15 114.34 22.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.175 0.512 . . . . 0.0 110.27 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 78.22 -81.16 1.33 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.796 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -151.73 -54.81 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.345 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG11 ' HA ' ' A' ' 93' ' ' PHE . 15.1 t 56.77 57.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.566 0.698 . . . . 0.0 110.166 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 11.66 65.95 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.284 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.796 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 18.0 ttmm -53.77 -62.91 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.846 0.458 . . . . 0.0 112.132 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 15.2 m -73.26 -14.85 61.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.412 -172.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.64 -45.25 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.239 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.5 -40.36 64.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 10.9 p -63.23 -39.48 94.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 111.72 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.67 -35.18 80.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.907 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.7 mm100 -64.62 -42.97 95.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.01 0.434 . . . . 0.0 110.637 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.41 -27.76 66.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.0 mtp -87.2 -60.94 1.84 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.911 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 94.1 m-85 -110.08 -12.54 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 32.3 t70 73.28 2.23 4.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.277 0.56 . . . . 0.0 111.502 177.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.29 145.88 26.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.981 0.42 . . . . 0.0 110.865 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -78.25 148.98 33.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.085 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.23 104.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 111.842 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -89.24 -56.38 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.31 94.59 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.014 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -155.81 97.89 1.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.207 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.733 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.4 tp10 -116.42 -49.69 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -173.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 27.2 Cg_endo -61.17 93.14 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.047 1.831 . . . . 0.0 114.173 -173.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.7 p -138.75 72.72 1.41 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.259 0.552 . . . . 0.0 109.594 170.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.31 -59.26 2.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.497 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -125.79 -14.66 6.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -169.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -84.72 159.34 20.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 t -132.38 147.83 52.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -126.62 152.72 46.29 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.781 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 37.5 ttm180 -120.01 132.74 55.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.482 . . . . 0.0 110.866 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -110.64 129.54 55.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.422 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -97.63 121.27 39.34 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.931 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.82 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.633 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -96.61 115.37 35.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.751 HD21 ' HD3' ' A' ' 174' ' ' ARG . 32.9 tp -104.16 100.18 9.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.727 -173.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 71.71 -21.35 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.889 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.32 -46.87 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.45 146.92 26.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 117.614 0.707 . . . . 0.0 110.928 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 mt-10 -78.87 115.33 18.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.666 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.625 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.8 t -107.27 152.68 8.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.858 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.781 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 49.8 mt-30 -113.27 119.49 37.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.484 . . . . 0.0 110.598 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 17' ' ' VAL . 4.7 tt -119.21 118.1 56.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.44 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.75 126.18 35.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.948 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.45 123.06 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.453 0.644 . . . . 0.0 110.801 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 82' ' ' TYR . 20.7 tp -106.51 103.84 13.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.069 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.37 87.04 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.302 0.573 . . . . 0.0 109.481 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -75.2 145.73 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.3 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 120.4 16.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -82.4 61.62 4.69 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.44 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -138.18 173.04 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.575 0.226 . . . . 0.0 110.803 -178.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 79' ' ' ARG . 41.9 mt-10 -94.78 -5.73 44.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.33 -64.44 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 111.476 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.529 ' H ' HD13 ' A' ' 72' ' ' LEU . 70.3 m-85 -84.82 78.71 9.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.937 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.02 64.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.875 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.584 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -75.75 -10.07 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.46 . . . . 0.0 111.009 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.656 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 23.2 mt -104.5 -30.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 0.0 109.953 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 73' ' ' GLU . 55.5 ttp180 -90.96 -65.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.146 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.6 -57.46 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.207 0.527 . . . . 0.0 111.652 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -68.89 -17.08 63.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.46 -170.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -89.1 -6.6 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.073 -0.392 . . . . 0.0 111.929 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 114' ' ' VAL . 9.1 m-30 -77.73 -24.48 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.968 -176.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -64.57 -57.62 8.63 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.08 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 24.5 t -81.29 -3.16 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.084 0.468 . . . . 0.0 111.142 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.53 137.62 14.43 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.123 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 4.8 tp10 -133.18 65.0 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.671 0.748 . . . . 0.0 109.057 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.424 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . 164.07 111.24 0.25 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -122.71 124.73 44.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.375 0.607 . . . . 0.0 111.569 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.2 mt -97.07 117.11 30.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.754 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 123' ' ' LEU . 46.1 mt -93.36 106.33 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.0 m -107.01 136.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.041 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' HA ' HG11 ' A' ' 25' ' ' VAL . 31.6 p90 -145.01 156.34 43.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 176.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -106.65 139.43 41.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.754 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -72.48 -6.39 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.707 -178.029 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.526 ' CG2' HD22 ' A' ' 132' ' ' LEU . 5.7 p -87.56 -39.16 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.04 0.448 . . . . 0.0 110.397 173.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.8 99.93 11.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -65.55 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.7 -52.81 63.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.728 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.9 p -62.78 -30.6 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.3 -46.31 80.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -68.83 -33.67 74.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.8 63.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.457 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 p -55.38 -44.67 76.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 111.536 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -32.87 70.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.743 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -68.44 -39.36 81.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.386 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.524 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.1 m-85 -58.31 -46.92 85.22 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.25 -49.56 71.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.048 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.92 -35.32 80.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.736 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.5 mt -64.03 -45.91 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.056 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.8 mp -67.51 -6.92 21.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -78.41 -33.08 48.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.03 0.443 . . . . 0.0 110.447 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 115' ' ' LYS . 31.2 m -114.55 -6.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.176 -177.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 18.0 mmmt -134.27 116.19 15.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.715 -176.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.81 -67.07 0.4 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.792 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.43 37.5 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.181 0.515 . . . . 0.0 110.779 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.2 -154.39 0.12 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.306 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.05 -80.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.5 mmtm -159.55 125.06 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.7 mt -81.0 109.35 13.17 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-O 120.807 0.337 . . . . 0.0 110.708 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -94.71 119.07 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 123.358 2.706 . . . . 0.0 112.565 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 91' ' ' LEU . 5.4 mp -113.8 144.8 42.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.222 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.794 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.2 tp -136.2 119.79 17.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.776 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 124' ' ' LEU . 12.0 t -84.57 116.64 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.156 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' A' ' 92' ' ' VAL . 33.7 t -108.96 110.6 32.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.489 -176.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.07 111.18 3.63 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.576 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 5.0 p30 -106.77 168.75 8.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.555 0.217 . . . . 0.0 111.1 -176.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 132' ' ' LEU . 2.5 mptm? 72.83 31.55 1.56 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.958 0.786 . . . . 0.0 111.828 177.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.2 m -65.08 0.1 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.975 -0.453 . . . . 0.0 111.136 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 129' ' ' LYS . 5.1 p-10 -90.17 -0.12 57.46 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.74 -42.97 10.39 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.596 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 57.52 -77.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.117 0.967 . . . . 0.0 113.223 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.96 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.66 12.41 14.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.727 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.754 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 50.6 ttp180 -65.63 113.94 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 0.0 110.686 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -91.7 -30.43 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.406 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.1 118.57 45.86 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.98 121.26 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 111.418 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -68.08 -15.92 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -173.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.33 -46.93 86.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.591 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.78 -27.47 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.424 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -65.35 -30.3 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.304 0.573 . . . . 0.0 110.593 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 73.5 mtp180 -71.74 -36.95 70.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.285 178.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 23.2 t -78.76 -22.52 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.12 0.962 . . . . 0.0 108.698 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.442 ' HB2' ' HE2' ' A' ' 146' ' ' LYS . 13.8 tppt? -65.46 -46.46 79.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.763 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -62.36 -36.96 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.084 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 145' ' ' SER . 34.3 tt0 -57.78 -38.78 76.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.334 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.07 -35.45 80.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.115 0.483 . . . . 0.0 110.774 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -88.81 -8.35 54.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.753 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.51 56.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.238 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.601 HG23 ' HB1' ' A' ' 147' ' ' ALA . 30.1 m -116.54 -177.24 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.0 110.963 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.794 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.8 pm0 -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.685 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -121.31 124.16 43.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.935 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 28.4 t -125.0 133.5 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -87.98 139.59 30.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.343 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 31.1 p -139.23 131.96 29.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.312 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' ' 163' ' ' ALA . 6.7 p -121.66 118.1 28.33 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.26 -10.1 59.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -64.11 -44.82 91.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.978 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.1 t -114.69 3.15 14.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 63.13 81.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.51 0.671 . . . . 0.0 110.643 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.458 ' HB3' ' H ' ' A' ' 158' ' ' SER . . . -90.57 -143.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.962 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -64.13 45.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.919 0.888 . . . . 0.0 112.21 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 168' ' ' VAL . 60.4 t -68.31 -50.34 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 110.183 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.37 -29.38 70.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.902 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.33 -50.52 71.22 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.86 -175.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -59.91 -25.33 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -75.41 -52.17 11.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.519 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 70.6 m-85 -66.14 -43.14 87.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.16 -49.04 79.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.792 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.4 tp -63.8 -37.81 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.201 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 176' ' ' ILE . 68.9 mtm -63.4 -30.59 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.259 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.751 ' HD3' HD21 ' A' ' 57' ' ' LEU . 8.7 mmm180 -72.76 -37.97 67.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.54 ' HA ' ' OE1' ' A' ' 175' ' ' GLU . 3.9 mm-40 -62.01 -35.91 79.94 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.668 174.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.639 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 78.8 mt -57.41 -48.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.108 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -67.48 -31.95 72.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.526 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 185' ' ' LYS . 17.4 m -57.9 -41.4 82.51 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.299 0.571 . . . . 0.0 109.789 176.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 43.1 mmtt -73.88 -34.39 64.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.551 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 26.1 mmmt -72.7 -41.94 64.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.434 -176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.3 mtt -80.48 -24.19 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.409 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 11.5 t 71.45 174.84 0.29 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.054 0.846 . . . . 0.0 110.693 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 66.38 122.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.703 0.801 . . . . 0.0 110.728 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.31 17.61 10.84 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.376 -170.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.535 ' HA ' HG22 ' A' ' 178' ' ' THR . 15.6 pttp . . . . . 0 C--O 1.249 1.044 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.796 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.363 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 24.0 t -162.66 -63.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 60.53 -90.33 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.508 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.576 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.2 m -102.02 -22.38 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 -176.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.51 -27.34 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.94 14.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.313 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.67 74.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.08 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.603 ' O ' HG13 ' B' ' 402' ' ' ILE . 48.7 mm -60.38 -55.26 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.576 0.227 . . . . 0.0 110.543 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.31 -41.72 94.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.603 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.9 -39.77 93.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.709 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' B' ' 439' ' ' LEU . 5.1 tp10 -72.13 -40.15 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.641 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.603 HG13 ' O ' ' B' ' 398' ' ' ILE . 69.9 mt -53.87 -47.13 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.39 -46.29 76.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.09 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 43.7 ttm105 -63.08 -42.49 99.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.881 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.531 ' HB2' HD23 ' B' ' 436' ' ' LEU . 85.0 mm-40 -71.97 -35.99 69.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.91 -43.18 98.92 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.29 -49.45 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' B' ' 432' ' ' VAL . 92.5 mt -60.4 -44.43 95.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.64 -45.66 91.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.466 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.96 -49.8 72.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.764 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.9 t -61.85 -56.0 23.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.795 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.444 ' O ' HD13 ' B' ' 416' ' ' LEU . 1.9 mm? -54.89 -33.11 61.67 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.461 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.567 ' CE1' ' HB1' ' A' ' 48' ' ' ALA . 4.6 m-70 -73.13 -49.18 29.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.635 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -76.79 -38.37 54.12 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.605 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.9 -46.14 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.007 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.8 mp -70.66 -34.65 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 111.239 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.584 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 3.0 mt-30 -65.94 -10.58 40.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.8 1.67 66.97 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.007 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.24 18.01 35.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.362 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.38 117.53 54.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -135.16 147.21 49.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.666 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.9 t70 -148.34 161.49 41.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -27.47 68.56 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.733 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -66.03 -38.02 87.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.807 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.666 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 52.5 mmtt -68.47 -52.06 36.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.632 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.5 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.15 -43.39 91.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.3 mmt180 -66.19 -34.86 78.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.199 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.31 -50.98 61.79 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.727 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.705 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 8.1 m95 -67.19 -30.78 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.412 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.812 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 40.4 tt0 -64.33 -55.13 23.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.306 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' B' ' 408' ' ' LEU . 2.3 p -62.97 -34.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.108 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.5 -50.94 71.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.622 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.812 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 1.0 OUTLIER -64.52 -29.95 70.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.636 0.255 . . . . 0.0 110.445 -177.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -75.75 -38.94 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.985 0.421 . . . . 0.0 110.294 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -61.73 -45.5 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.8 t -73.2 -30.07 63.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.027 0.441 . . . . 0.0 109.949 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.67 -39.25 80.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.003 174.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.588 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.1 OUTLIER -58.2 -43.48 87.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.671 176.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.99 -33.45 75.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.695 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -67.58 -42.53 82.39 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.581 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.6 mmmm -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.286 176.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' B' ' 398' ' ' ILE . 50.0 tp -62.12 -46.49 88.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 0.0 110.564 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.04 -2.84 56.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.67 -32.36 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.156 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.616 -178.499 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.509 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -115.47 15.42 16.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.403 0.62 . . . . 0.0 109.466 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -87.1 159.28 18.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.713 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 m 67.16 16.53 10.24 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -93.09 -16.5 24.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.5 -18.52 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.873 -175.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.95 121.53 33.62 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.482 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -129.39 134.05 47.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.781 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.663 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 11.1 mmpt? -96.74 106.82 19.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.25 108.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.158 0.504 . . . . 0.0 110.5 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.17 122.25 65.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.694 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 ttm -89.57 124.23 34.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HZ ' ' A' ' 83' ' ' PHE . 19.0 t -98.5 128.72 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.979 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.64 157.6 10.08 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t -97.14 -90.51 0.26 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.491 0.645 . . . . 0.0 111.003 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.636 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -117.51 -47.84 0.44 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.37 -176.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.49 38.45 1.22 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.442 -0.409 . . . . 0.0 113.016 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.597 ' HB ' HG13 ' A' ' 92' ' ' VAL . 35.8 m -126.88 -19.78 2.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.621 0.248 . . . . 0.0 111.102 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.685 ' HA2' ' O1A' ' A' ' 500' ' ' GNP . . . 58.95 34.17 77.37 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.432 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 23.5 pttm -79.1 -21.72 46.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 32' ' ' LEU . 72.4 m -68.61 -34.05 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.018 0.437 . . . . 0.0 110.239 175.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.18 -34.07 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.27 -41.1 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.625 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.6 p -68.77 -32.53 72.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.18 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 3.7 mm? -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.307 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -60.65 -54.97 38.88 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.171 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -68.98 -24.33 64.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.9 -177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttm -83.1 -52.07 6.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.738 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -120.08 24.67 10.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t70 75.63 -56.55 0.6 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.827 0.704 . . . . 0.0 112.384 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -102.76 -173.97 2.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.326 0.584 . . . . 0.0 112.206 -172.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -75.23 138.63 42.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.807 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.623 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.1 p -56.46 130.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.628 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.23 -72.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.737 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.72 87.66 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.298 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -150.5 114.19 4.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.103 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.573 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.7 tp10 -102.56 -67.82 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.549 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 37.1 Cg_exo -11.44 -79.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 125.121 3.881 . . . . 0.0 115.119 -161.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p 51.64 11.43 0.13 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -88.5 -56.58 3.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.307 0.575 . . . . 0.0 111.444 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB1' HD12 ' B' ' 409' ' ' LEU . . . -124.24 -10.42 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.972 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -98.73 118.11 34.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 p -133.79 163.0 30.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 80.6 t80 -139.24 130.67 27.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 2.4 ptp180 -82.51 129.7 34.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.473 0.654 . . . . 0.0 111.177 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -101.15 131.43 47.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.252 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 38.1 ttmt -101.85 130.64 48.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 110.351 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.0 m -135.73 166.95 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.4 p -145.7 118.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.663 0.744 . . . . 0.0 111.295 174.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.87 106.09 11.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.063 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.84 67.6 0.61 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.186 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.42 -78.29 0.25 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 115.73 166.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 pt-20 -84.54 131.34 34.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.955 0.377 . . . . 0.0 111.776 -166.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.84 118.24 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 2.1 t -105.65 136.7 38.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 -169.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -113.66 117.9 32.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.104 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.469 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 11.5 tt -121.43 121.54 64.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 110.723 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 31.7 m-20 -97.34 125.31 41.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.9 mm -107.74 118.87 56.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.291 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.79 109.87 19.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -77.6 106.31 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.58 ' HB ' ' HA ' ' A' ' 79' ' ' ARG . 17.2 p -73.81 108.71 6.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.449 -173.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 124.03 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.12 72.19 0.47 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.36 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 75' ' ' TYR . 1.6 pt? -128.34 -175.18 3.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.6 -30.63 70.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.75 -81.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.732 0.777 . . . . 0.0 110.608 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 72' ' ' LEU . 86.7 m-85 -82.26 91.12 6.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.45 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.85 -32.76 10.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.479 0.657 . . . . 0.0 109.568 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.772 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.512 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.3 mt -69.75 -22.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.647 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 69' ' ' THR . 34.6 ttp180 -91.86 -65.11 1.03 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.137 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -58.96 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' B' ' 416' ' ' LEU . 11.6 m120 -57.58 -33.73 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.1 m-85 -68.4 -21.57 64.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' HZ ' HG13 ' A' ' 20' ' ' VAL . 14.9 m-30 -64.54 -21.54 66.72 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.618 ' HB3' ' HG2' ' B' ' 426' ' ' GLU . 3.0 tmm_? -59.75 -50.03 75.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.89 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -89.37 20.98 3.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.918 0.389 . . . . 0.0 111.727 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.13 -170.7 44.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.648 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 4.2 tp10 -157.92 -67.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 135.37 12.39 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.5 m-85 -130.47 134.32 46.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 0.0 111.595 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 124' ' ' LEU . 93.3 mt -103.22 119.64 39.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.657 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.96 107.17 19.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 25' ' ' VAL . 6.5 p -107.78 141.3 23.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.941 0.4 . . . . 0.0 111.048 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -153.54 168.74 25.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.444 175.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.638 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 34.2 t -106.14 140.38 39.2 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 130' ' ' SER . 0.2 OUTLIER -78.59 6.35 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.447 0.641 . . . . 0.0 110.855 -178.131 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.875 HG21 HD22 ' A' ' 132' ' ' LEU . 75.7 p -119.88 -22.43 6.78 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.606 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.638 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 1.2 mp0 -94.64 95.28 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.674 175.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.83 -24.52 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.488 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -55.81 -50.22 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.516 0.674 . . . . 0.0 110.027 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -67.28 -35.18 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.351 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.08 -40.32 95.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -70.76 -28.79 64.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.395 0.617 . . . . 0.0 110.648 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.83 -15.29 59.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.224 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -45.6 67.04 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 0.0 111.611 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.41 92.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.52 -38.94 89.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.2 m-85 -57.34 -51.6 68.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 110.248 177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 108' ' ' ARG . 37.5 ttt180 -66.03 -44.23 85.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.744 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.39 -33.89 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.67 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.0 mt -64.64 -48.38 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.315 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -68.75 -13.18 62.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.766 0.317 . . . . 0.0 111.087 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -78.74 -31.72 46.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 115' ' ' LYS . 33.8 m -105.25 -25.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.754 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -98.32 -94.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 64.18 -71.22 0.07 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.59 34.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 111.228 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 13.6 mm-40 -98.1 -168.57 1.68 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.1 -177.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -79.36 -72.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.589 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 75.3 mmtt -142.75 140.54 31.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.6 mt -109.05 97.22 23.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.787 0.327 . . . . 0.0 110.225 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 17.0 Cg_exo -67.2 121.08 8.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.068 2.512 . . . . 0.0 111.474 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.6 mt -127.29 124.19 38.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.973 -176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.7 tp -126.92 118.68 25.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.907 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.59 127.47 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.928 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.38 110.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.585 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.83 114.39 4.26 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.57 HD22 HG23 ' A' ' 92' ' ' VAL . 12.7 m-80 -107.54 158.03 17.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.522 ' HE2' ' C2 ' ' A' ' 500' ' ' GNP . 43.3 tttm 68.55 56.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.892 169.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' HD11 ' A' ' 95' ' ' ILE . 16.3 m -76.28 4.34 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.008 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -12.84 61.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.875 HD22 HG21 ' A' ' 96' ' ' THR . 7.0 mp -70.17 -46.14 65.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 62.33 -77.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.016 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.72 -21.16 63.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.175 0.512 . . . . 0.0 110.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.833 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.8 mtp180 -94.67 21.86 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 96' ' ' THR . 35.3 ttm180 -59.44 113.17 2.05 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.454 ' H ' ' HA ' ' A' ' 96' ' ' THR . 25.8 tp60 -91.52 -35.74 14.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.194 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.32 126.61 28.09 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.097 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.95 116.64 3.4 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.112 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -73.17 -13.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.171 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 1.9 mp0 -57.11 -48.56 78.33 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.478 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.84 -24.45 52.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.88 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.199 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -64.73 -36.24 83.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.366 0.603 . . . . 0.0 109.546 174.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.461 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 22.9 t -66.51 -18.07 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.967 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 7.2 mmpt? -72.33 -40.99 67.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 110.035 175.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -63.84 -40.92 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.458 0.647 . . . . 0.0 109.464 174.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 27.5 tt0 -58.68 -48.7 80.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.457 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.3 -42.91 92.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.683 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -92.59 -5.56 51.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.485 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.39 41.41 20.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.039 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.62 -170.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.53 0.205 . . . . 0.0 110.591 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.791 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -106.47 159.55 16.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.881 177.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 66.3 t80 -129.18 125.41 36.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.649 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.31 121.67 56.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.384 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.08 134.93 33.79 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 40.9 p -138.34 158.16 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.955 0.407 . . . . 0.0 111.548 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -138.49 135.22 34.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.15 3.61 20.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -82.72 -49.6 9.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.5 p -92.96 -18.62 22.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.417 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 65.25 20.81 11.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.438 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.57 122.76 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 90.3 m-20 70.39 0.55 3.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.285 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 168' ' ' VAL . 98.1 t -64.92 -49.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.43 -29.06 69.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -57.08 -50.08 73.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.331 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.1 m -58.74 -27.74 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.95 -49.44 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.017 0.437 . . . . 0.0 110.383 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.98 -47.21 78.36 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.281 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -51.56 69.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 176' ' ' ILE . 28.8 tp -60.48 -42.29 95.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.8 mtm -61.98 -40.08 94.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.113 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HD3' ' HD2' ' A' ' 177' ' ' ARG . 7.0 mmt180 -65.03 -40.86 95.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.793 178.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.65 -42.7 88.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 172' ' ' LEU . 78.5 mt -58.47 -34.84 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.472 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HD2' ' HD3' ' A' ' 174' ' ' ARG . 29.3 mtp-105 -60.51 -41.43 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 110.11 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.9 m -63.57 -32.08 73.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.449 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 2.5 mptp? -69.42 -40.78 77.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.719 0.295 . . . . 0.0 110.702 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -71.36 -35.17 71.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.78 -35.19 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.9 p 60.7 133.46 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.1 1.36 . . . . 0.0 112.078 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -79.99 58.17 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.582 0.706 . . . . 0.0 110.313 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.08 -25.72 9.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.443 179.185 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 31.2 t -79.25 91.39 5.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.0 109.519 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -101.16 -62.62 1.22 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.694 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.445 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m -74.44 -37.62 63.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.134 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.449 ' HB3' ' HE3' ' B' ' 399' ' ' LYS . 85.9 mt-30 -63.23 -32.48 73.89 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.44 72.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.13 95.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.054 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 394' ' ' THR . 47.6 mm -61.58 -51.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.518 0.199 . . . . 0.0 110.547 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 98.9 mttt -61.76 -38.79 89.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.454 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.937 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.646 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 17.1 tp10 -67.94 -37.54 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 439' ' ' LEU . 73.8 mt -53.91 -50.41 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.592 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.0 mtp180 -54.62 -44.01 72.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.255 0.55 . . . . 0.0 110.614 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.646 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 57.8 ttt180 -63.82 -48.71 75.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 80.0 mm-40 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.528 ' HG3' HD21 ' B' ' 436' ' ' LEU . 46.3 mt-10 -63.66 -38.1 89.83 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.62 -48.26 72.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.62 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 87.3 mt -58.56 -47.4 84.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.636 HD23 HG13 ' B' ' 432' ' ' VAL . 2.9 tm? -68.01 -37.14 81.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.144 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.21 -33.1 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.835 0.35 . . . . 0.0 110.817 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.3 t -60.15 -51.33 70.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.264 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -55.39 -38.09 68.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 174.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.15 -39.81 93.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.828 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -76.56 -38.76 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.515 0.198 . . . . 0.0 111.142 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.78 -42.86 80.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.244 0.545 . . . . 0.0 110.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 429' ' ' LEU . 86.7 mt -71.44 -30.6 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.144 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -65.47 -14.41 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.736 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.5 8.47 61.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.578 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.08 23.91 43.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.922 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.6 mt -121.74 141.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.497 ' HD3' HD21 ' A' ' 81' ' ' ASN . 20.9 pttp -152.42 146.58 25.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.312 0.577 . . . . 0.0 110.733 173.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 32.9 t70 -149.14 156.37 42.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.919 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.64 -33.96 66.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.951 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -31.4 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.021 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' B' ' 416' ' ' LEU . 33.8 mmtt -72.07 -55.62 7.04 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.846 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' B' ' 429' ' ' LEU . 6.7 mp0 -61.46 -42.46 98.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.437 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.37 -37.64 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.111 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.543 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 mmt180 -69.22 -33.4 73.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.414 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 416' ' ' LEU . 24.8 mt -55.54 -57.3 12.51 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.538 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.415 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 93.3 m95 -65.88 -30.73 71.37 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 123.162 0.289 . . . . 0.0 111.024 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.58 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 9.3 tp10 -66.37 -56.65 10.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.555 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -65.88 -33.64 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.435 0.636 . . . . 0.0 109.887 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -56.35 -52.14 65.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.889 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.58 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -64.83 -28.61 69.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.028 0.442 . . . . 0.0 110.288 -176.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' B' ' 432' ' ' VAL . 56.7 mt -69.29 -51.87 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.074 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' B' ' 406' ' ' GLU . 2.7 tm? -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.871 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.545 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.0 t -67.53 -34.06 76.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.69 -177.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.2 76.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.947 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.597 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.1 mp -63.99 -44.56 92.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.41 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -61.22 -34.1 74.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.183 0.515 . . . . 0.0 109.895 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -68.21 -45.07 74.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.423 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.0 mmmm -63.53 -28.65 70.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.478 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 48.9 tp -63.71 -42.24 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 110.067 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -82.69 -4.31 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.9 tp10 -88.62 -38.0 15.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.164 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.836 -179.173 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.685 ' O1A' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -170.08 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 110.454 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 t -163.99 -162.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -73.53 76.9 1.46 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.218 0.532 . . . . 0.0 110.264 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -124.81 4.08 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -102.68 4.95 38.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.251 0.548 . . . . 0.0 111.199 -174.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 tp -129.29 128.41 43.14 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.576 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 80.4 m-70 -135.52 139.52 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.47 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.729 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -129.21 106.86 9.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 173.198 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.0 131.59 57.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.977 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -107.06 124.85 63.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.534 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 55.3 ttm -95.89 126.44 41.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 111' ' ' ILE . 25.9 m -95.39 169.3 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.923 0.392 . . . . 0.0 111.094 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.87 27.88 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.905 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.4 m -133.08 -61.75 0.82 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.922 0.391 . . . . 0.0 110.298 -176.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.74 -131.22 7.26 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.955 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . -104.44 68.76 0.27 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.131 -175.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.607 ' HA ' ' OG ' ' A' ' 94' ' ' SER . 27.5 m -83.31 5.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.157 0.504 . . . . 0.0 111.066 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.15 18.89 76.92 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.681 -0.69 . . . . 0.0 113.699 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 40.6 pttt -66.88 -41.71 86.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -173.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 m -62.83 -18.38 62.73 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.737 0.303 . . . . 0.0 111.325 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.41 65.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 111.429 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.91 -41.17 83.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.336 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 23.7 p -67.03 -37.35 83.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 HG22 ' A' ' 40' ' ' VAL . 19.8 tp -65.83 -40.33 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.605 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -75.13 -6.42 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.937 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -67.99 -41.37 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.975 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.621 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 1.8 pmm? -119.65 -32.21 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.84 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.617 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 82.4 m-85 -86.27 -32.42 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.151 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 71.39 -0.48 3.1 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.292 0.568 . . . . 0.0 111.495 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.617 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 12.4 pt-20 -99.02 157.81 16.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 148.27 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HD22 ' A' ' 32' ' ' LEU . 36.5 t -71.57 101.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 0.0 110.97 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.52 -32.84 6.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.712 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -130.89 83.62 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' HB3' HG13 ' A' ' 40' ' ' VAL . 4.9 t80 -176.15 91.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 4.0 mp0 -89.64 -59.27 0.24 Allowed Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.382 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 52.0 Cg_endo -67.46 152.65 78.4 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.146 1.897 . . . . 0.0 112.926 -175.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -156.88 30.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 78' ' ' ILE . 54.9 mtmt -85.7 -48.22 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.601 -176.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -123.34 12.61 9.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.777 0.799 . . . . 0.0 109.465 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.7 m-20 -90.46 84.73 6.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.491 -174.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 p -97.56 155.34 17.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.782 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -144.86 143.2 30.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.132 -178.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 31.7 ttm180 -125.21 150.11 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -172.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 35' ' ' MET . 53.9 tptt -136.56 138.21 41.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.57 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 36.2 ttmt -98.56 124.34 43.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.8 m -133.92 147.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -123.36 123.95 68.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.22 0.533 . . . . 0.0 110.558 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.91 95.99 5.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.075 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.59 22.91 3.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.66 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.18 -111.0 0.27 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.536 -1.316 . . . . 0.0 114.15 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 pt-20 -104.35 159.14 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -175.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 69.4 mt-10 -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 13' ' ' ALA . 12.6 t -106.45 142.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -112.32 117.73 33.29 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.142 0.496 . . . . 0.0 110.708 -176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.656 HD12 ' SD ' ' A' ' 173' ' ' MET . 14.6 tt -105.56 124.97 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.072 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.729 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 30.3 t70 -109.75 121.36 45.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.304 -175.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.7 mm -107.82 127.07 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.12 0.486 . . . . 0.0 111.96 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.4 tp -123.4 134.9 53.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.444 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HB3' HG22 ' A' ' 46' ' ' THR . 42.3 t0 -112.66 146.45 38.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 p -98.87 154.5 17.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.01 122.24 42.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.818 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.905 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -85.47 63.76 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.856 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -130.93 174.78 9.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 -177.167 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -103.27 3.41 35.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.032 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.6 m-20 -83.58 -82.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 97.0 m-85 -75.84 71.21 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.229 -177.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -26.67 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.18 0.514 . . . . 0.0 110.634 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -65.45 -19.04 65.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 1.025 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 81.9 mt -98.95 -34.49 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -83.28 -66.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.417 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.83 -49.31 16.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.656 -174.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.694 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 15.0 m120 -76.53 -17.52 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.828 -166.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 1.025 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.3 m-85 -84.67 -12.83 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.884 -0.51 . . . . 0.0 111.631 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -67.44 -16.91 64.48 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -61.95 -65.88 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.601 0.239 . . . . 0.0 111.605 -172.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.7 m -81.65 23.49 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.17 140.23 14.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.491 174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 176' ' ' ILE . 12.5 pt-20 -91.98 -37.0 13.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.683 0.241 . . . . 0.0 111.202 -175.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.18 153.25 20.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.053 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.6 m-85 -130.09 136.49 49.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 111.14 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 20' ' ' VAL . 89.7 mt -108.94 123.39 49.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.47 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.3 107.13 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.46 139.71 49.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.619 0.247 . . . . 0.0 110.719 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.423 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 32.1 p90 -150.31 161.71 41.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.173 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -90.86 138.98 31.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.677 176.165 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -0.97 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 111.498 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.768 HG23 HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -86.92 -26.29 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 174.02 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -97.17 101.03 12.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.088 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.4 -23.39 63.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.877 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.64 -41.59 79.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.638 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 50.1 m -64.86 -32.41 74.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 110.55 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 138' ' ' VAL . 58.1 t80 -64.48 -42.6 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.46 62.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.243 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.0 p -55.07 -44.72 75.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.099 0.476 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.41 -35.78 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.07 -50.28 74.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.275 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.6 m-85 -57.56 -48.86 78.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.944 177.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -55.41 -57.12 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.166 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.54 -27.17 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.895 -175.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.82 -35.06 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -65.43 -47.76 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.252 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.9 mp -70.22 -14.76 62.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.447 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -70.72 -29.88 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.174 0.511 . . . . 0.0 109.896 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' A' ' 115' ' ' LYS . 17.4 m -110.37 -5.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.615 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.908 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 7.6 mmmm -138.32 94.17 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.117 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.75 -36.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.31 3.64 34.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.422 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.669 ' HG3' ' CE ' ' A' ' 115' ' ' LYS . 5.4 mm-40 -78.81 175.36 10.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.575 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.616 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -68.48 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.834 -0.166 . . . . 0.0 111.228 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.616 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 42.1 mmtm -134.67 146.0 49.09 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.2 mt -120.73 91.63 47.41 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-O 121.037 0.446 . . . . 0.0 110.223 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.678 ' HG2' HG12 ' A' ' 176' ' ' ILE . 9.0 Cg_exo -72.23 134.6 23.26 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.132 2.555 . . . . 0.0 111.748 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 82.9 mt -129.32 137.04 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.862 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 3.2 tp -132.49 122.1 24.36 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.481 ' N ' HD12 ' A' ' 124' ' ' LEU . 17.8 t -92.28 123.9 44.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.86 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 36.6 t -117.99 125.62 74.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.373 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 123.12 7.02 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -120.82 167.43 12.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.084 0.442 . . . . 0.0 110.653 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.591 ' HE3' HD21 ' A' ' 132' ' ' LEU . 44.6 tptt 67.42 36.67 3.76 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.638 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -77.06 1.33 18.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.88 10.77 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.51 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.768 HD13 HG23 ' A' ' 96' ' ' THR . 12.8 mt -91.26 -41.37 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 50.73 -64.26 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.654 1.582 . . . . 0.0 114.601 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' LEU . 12.3 pt-20 -72.18 -25.9 61.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 -175.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.8 mtp180 -91.9 25.26 2.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.007 -177.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -66.28 112.45 3.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.802 0.335 . . . . 0.0 110.292 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -106.44 -20.8 13.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.931 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 101' ' ' PHE . 69.9 t -111.19 117.83 48.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.291 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 118.73 5.62 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.923 1.748 . . . . 0.0 109.645 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -61.16 -21.57 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.94 -174.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 23.2 mp0 -57.98 -40.68 81.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 110.06 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.06 -41.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.227 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -60.86 -47.91 84.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.718 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 22.8 mtm180 -61.73 -37.58 84.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.713 176.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -59.13 -44.28 92.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.543 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 10.3 mmpt? -62.05 -42.99 99.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.641 177.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.7 -48.62 80.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.054 0.454 . . . . 0.0 110.82 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.29 -38.34 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.646 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.214 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.37 -7.4 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.737 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.12 42.89 34.82 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.455 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -125.53 -176.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.734 0.302 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -101.6 154.42 18.88 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 69.4 t80 -132.04 126.25 33.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.1 131.03 68.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 0.0 110.572 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.67 127.49 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.068 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -137.91 165.02 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.826 -177.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.7 m -158.29 131.04 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.88 -5.85 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.919 0.39 . . . . 0.0 111.614 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 160' ' ' LYS . 50.7 tptt -88.22 -15.41 35.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.505 0.669 . . . . 0.0 109.874 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.5 p -113.85 -31.07 6.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 68.78 78.14 0.22 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.6 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.71 136.14 19.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.629 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.502 ' HB2' HG22 ' A' ' 157' ' ' THR . 93.3 m-20 65.8 12.7 8.52 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.76 0.663 . . . . 0.0 112.089 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.72 -47.31 77.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.868 0.366 . . . . 0.0 110.595 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.4 -24.55 54.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.366 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -57.62 -46.39 84.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.294 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.92 -34.31 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.936 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -69.98 -56.29 7.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.907 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -63.73 -31.75 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.45 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.63 -51.01 68.96 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.018 0.437 . . . . 0.0 110.611 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 122' ' ' PRO . 31.1 tp -68.0 -39.03 83.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.656 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.0 mtp -58.07 -31.29 66.93 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -44.18 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.362 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 12.1 mt-10 -60.08 -40.26 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.424 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.809 HD13 ' HG3' ' A' ' 87' ' ' GLU . 72.0 mt -58.49 -36.24 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.271 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 181' ' ' MET . 49.1 mtp85 -65.59 -45.99 81.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 21.8 m -61.3 -35.67 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.876 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.542 ' HG3' ' HG3' ' A' ' 120' ' ' LYS . 14.4 mptt -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.945 0.402 . . . . 0.0 110.51 174.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.2 mmmt -65.56 -31.85 73.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.028 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 62.7 mtt -80.78 -29.34 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.686 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.0 m 68.29 -172.24 0.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.868 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 70.57 167.55 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 112.162 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 58.29 51.21 8.65 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.816 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.586 178.429 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.585 ' HA ' ' OE1' ' B' ' 395' ' ' GLN . 65.0 m 62.71 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.984 0.514 . . . . 0.0 111.687 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.15 -83.99 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.191 0.597 . . . . 0.0 111.493 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.501 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.8 t -91.95 -17.66 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.319 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.585 ' OE1' ' HA ' ' B' ' 392' ' ' SER . 47.0 mt-30 -53.8 -33.89 57.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.644 0.259 . . . . 0.0 110.905 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -58.8 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.78 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.73 85.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.276 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 402' ' ' ILE . 33.8 mm -58.09 -50.45 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 110.646 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.0 mttt -58.55 -44.44 89.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.242 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 14.3 mm-40 -63.32 -40.32 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.395 . . . . 0.0 110.565 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 439' ' ' LEU . 36.9 tt0 -65.77 -46.14 79.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.133 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.37 -53.51 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.647 174.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 61.3 mtp180 -58.7 -34.09 70.91 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -62.98 -53.0 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -70.42 -27.7 64.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 -175.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 52.7 mt-10 -61.28 -36.06 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.03 -46.88 64.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.6 mp -56.03 -48.76 75.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.54 0.209 . . . . 0.0 111.395 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.567 HD13 HG13 ' B' ' 432' ' ' VAL . 17.3 tp -62.17 -45.83 91.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -55.85 -43.18 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.897 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -60.76 -54.55 43.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.7 mm? -57.75 -40.02 78.72 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 20.5 m170 -60.29 -47.4 86.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.426 ' HA ' HE21 ' B' ' 417' ' ' GLN . 71.9 mtp180 -72.55 -50.71 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.05 -43.05 86.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 11.2 mp -73.33 -27.75 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.4 mt-30 -62.81 -26.24 68.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.972 0.415 . . . . 0.0 110.111 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.29 -6.17 60.82 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.725 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.73 36.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.523 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 37.6 mt -119.49 116.16 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.732 0.266 . . . . 0.0 110.306 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.694 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 55.3 pttt -144.04 168.3 20.32 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.403 0.62 . . . . 0.0 110.173 173.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.591 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 23.4 t70 -149.41 169.08 21.68 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.54 -29.02 69.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.177 0.444 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 -33.24 75.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.192 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' B' ' 422' ' ' ASP . 22.5 mmtp -73.18 -42.76 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.264 -176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 3.0 mm-40 -58.67 -48.13 82.12 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.898 -177.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.1 mm-40 -64.76 -48.39 74.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.622 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.544 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.0 mmt180 -64.7 -34.66 78.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.07 -50.64 70.44 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.775 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 56.1 m95 -68.11 -32.14 72.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.779 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.899 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 41.8 mt-10 -67.77 -56.22 10.06 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.474 -177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.589 ' HA ' HD12 ' B' ' 435' ' ' ILE . 4.1 p -64.73 -34.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.325 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.98 -51.99 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.279 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.899 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.6 ptt180 -67.28 -29.66 69.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' B' ' 432' ' ' VAL . 59.0 mt -69.85 -40.9 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.063 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' B' ' 406' ' ' GLU . 25.8 tp -64.88 -43.84 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.82 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -67.0 -35.52 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -69.77 -35.47 74.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.226 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.6 OUTLIER -65.23 -44.02 89.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.813 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.91 -30.4 70.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.266 0.555 . . . . 0.0 109.562 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.422 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 3.3 tmt_? -66.32 -42.82 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.184 172.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' B' ' 439' ' ' LEU . 56.3 mtpt -57.61 -34.59 69.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -62.58 -44.37 96.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.628 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.673 ' HA ' ' NE ' ' B' ' 444' ' ' ARG . 1.8 mmp_? -83.08 -10.98 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -79.52 -22.01 44.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.324 0.583 . . . . 0.0 109.724 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.446 178.497 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.423 ' O2A' ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.941 -0.463 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 12' ' ' LEU . 51.8 mt-30 65.3 -168.93 0.21 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 111.348 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t 70.92 -53.67 0.67 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.305 0.642 . . . . 0.0 110.479 -173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.7 t -84.58 15.54 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.409 0.624 . . . . 0.0 109.766 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 9' ' ' GLN . 48.6 mt -123.61 25.44 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.289 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -103.06 8.37 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 111.983 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.908 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 tp -129.87 103.55 6.87 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.426 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -103.57 134.87 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.328 -172.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.908 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.46 114.4 28.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.096 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.56 117.61 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.846 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 67' ' ' LEU . 66.1 mt -107.14 130.97 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.014 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.457 ' HG2' HD12 ' A' ' 90' ' ' LEU . 83.4 mtp -107.13 112.75 25.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.888 0.375 . . . . 0.0 110.465 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.41 158.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.921 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -178.1 -161.23 25.85 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -93.07 8.39 40.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.979 0.419 . . . . 0.0 110.591 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.59 -47.62 1.02 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.156 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -102.1 -112.72 3.64 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.192 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t 72.76 -54.82 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.634 0.774 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.44 26.77 0.36 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.822 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.753 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.4 pttp -78.41 -18.57 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.953 0.377 . . . . 0.0 111.95 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 m -77.6 -30.22 52.33 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.026 0.441 . . . . 0.0 110.524 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.95 -42.43 66.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.279 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.0 -45.65 86.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.582 -177.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 66' ' ' ILE . 36.6 p -68.23 -40.9 81.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.332 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.25 -40.33 95.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.44 -33.85 76.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.24 -35.61 68.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.486 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -93.88 -51.57 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -98.66 -4.86 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 66.04 16.27 10.39 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.6 158.61 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.553 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -85.38 151.1 24.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.891 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.76 101.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.789 0.804 . . . . 0.0 112.325 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.44 -37.42 10.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.561 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.92 95.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.177 175.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -165.39 105.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -90.16 -66.21 0.15 Allowed Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.43 171.454 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.537 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 85.1 Cg_exo -18.91 78.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.37 1.663 1 C-N-CA 125.417 4.078 . . . . 0.0 115.165 -165.463 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 17.0 p -148.88 56.42 1.02 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.516 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.759 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -84.64 -60.18 2.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.008 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.94 -4.26 6.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 162.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.38 118.45 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.827 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m -147.3 160.93 41.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.97 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -113.7 141.47 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.021 -174.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -90.74 134.06 34.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.203 0.525 . . . . 0.0 111.095 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -98.92 141.14 32.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.103 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -108.99 121.85 46.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.58 148.15 28.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.167 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -128.2 121.29 55.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.397 0.618 . . . . 0.0 110.616 176.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.96 96.87 6.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.394 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.9 75.6 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.913 0.758 . . . . 0.0 111.974 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.73 -117.92 0.9 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.571 -1.299 . . . . 0.0 114.429 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.7 pt-20 -99.0 151.2 21.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.489 0.185 . . . . 0.0 110.95 -171.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.03 115.99 5.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.894 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.572 HG13 ' HA ' ' A' ' 13' ' ' ALA . 17.2 t -106.44 138.76 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.878 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.267 0.556 . . . . 0.0 110.623 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.3 tt -121.35 118.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -90.61 129.34 36.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.664 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 31' ' ' THR . 29.2 mm -107.89 151.39 9.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 18' ' ' ILE . 29.0 mt -130.34 103.92 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.737 0.303 . . . . 0.0 110.763 171.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.6 t0 -86.37 85.66 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 171.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -71.19 139.01 50.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.323 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' HB1' HD22 ' A' ' 72' ' ' LEU . . . -64.77 107.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.074 173.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.4 77.67 1.81 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.395 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -146.34 168.45 21.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.48 -17.12 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.216 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 4.8 m-20 -78.3 -77.83 0.15 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.239 0.542 . . . . 0.0 111.581 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 72' ' ' LEU . 71.3 m-85 -78.23 61.27 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.842 -171.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -20.18 66.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.3 0.571 . . . . 0.0 110.103 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.06 -6.02 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.621 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG21 ' O ' ' A' ' 47' ' ' LYS . 72.0 mt -101.38 -35.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -91.12 -66.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.472 0.653 . . . . 0.0 110.402 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.9 -38.93 66.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.557 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.805 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 4.3 t-20 -77.08 -17.9 58.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.224 -173.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.9 m-85 -91.83 -14.11 30.29 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.403 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.5 m-30 -58.58 -18.73 32.31 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.488 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 17.1 mmt180 -50.98 -68.89 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -86.87 32.77 0.66 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.067 0.46 . . . . 0.0 110.958 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.94 130.23 10.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.548 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 176' ' ' ILE . 10.2 mm-40 -91.15 -81.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.775 0.43 . . . . 0.0 110.568 177.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.7 144.71 17.45 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.347 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.78 128.66 49.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.0 mt -98.83 113.6 25.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.8 176.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.593 HD12 HG22 ' A' ' 125' ' ' VAL . 33.1 mt -89.6 106.4 18.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 27' ' ' LYS . 21.8 m -110.6 122.92 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.51 0.671 . . . . 0.0 111.337 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -137.74 154.93 49.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.355 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.97 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 38.4 t -91.67 145.36 24.65 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.87 -0.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.365 -178.417 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 135' ' ' ARG . 20.3 p -98.81 -20.76 16.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.066 0.46 . . . . 0.0 110.708 172.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.97 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 21.2 mm-40 -91.22 91.04 8.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.05 0.452 . . . . 0.0 110.615 -174.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -66.54 -32.28 73.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.78 -48.05 83.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.961 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.2 m -64.27 -30.5 71.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.211 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CG ' HG21 ' A' ' 138' ' ' VAL . 86.9 t80 -66.52 -47.08 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.4 m -65.43 -28.19 69.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 0.0 110.731 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.99 -17.81 63.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.297 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.519 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 74.9 p -61.58 -33.04 73.18 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 111.332 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.32 83.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.851 0.358 . . . . 0.0 110.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.94 -37.44 72.87 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.887 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.3 m-85 -57.11 -47.91 79.94 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.44 -53.75 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.516 ' HB3' ' NH2' ' A' ' 113' ' ' ARG . 49.1 mt-10 -64.94 -46.07 83.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.131 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -61.5 -36.78 81.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.652 0.263 . . . . 0.0 111.02 -174.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.62 -44.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.819 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' A' ' 121' ' ' ILE . 9.6 mp -71.85 -26.94 62.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.628 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.516 ' NH2' ' HB3' ' A' ' 109' ' ' GLU . 24.9 ttm-85 -64.51 -24.36 67.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.93 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -110.57 2.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.251 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 52.8 mttm -126.38 -104.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.257 -176.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.07 5.44 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.42 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.39 21.76 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.291 0.567 . . . . 0.0 109.876 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 4.1 mm-40 -93.05 177.84 5.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.103 -172.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.32 -59.09 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 170.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.978 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 21.2 mmmt -157.91 110.36 2.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 112' ' ' LEU . 51.6 mt -72.55 107.02 2.55 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.165 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 30.2 Cg_endo -93.53 113.19 0.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.46 2.773 . . . . 0.0 112.351 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.76 121.91 44.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -107.73 113.49 26.79 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.593 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 t -83.9 116.31 27.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.806 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.503 ' HB ' HG12 ' A' ' 92' ' ' VAL . 50.1 t -117.3 116.79 53.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.016 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 108.56 3.57 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.12 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.449 ' ND2' ' H ' ' A' ' 129' ' ' LYS . 6.9 t30 -99.18 175.08 6.02 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 33.1 mmtp 65.6 24.87 11.68 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.569 0.543 . . . . 0.0 110.763 -175.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 t -62.13 -13.79 30.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.955 0.407 . . . . 0.0 110.697 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.53 -3.66 29.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.364 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.678 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.7 mt -77.48 -31.05 53.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 39.11 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.907 1.683 . . . . 0.0 115.208 -175.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' LEU . 8.8 mm-40 -82.52 -14.54 54.78 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.995 -0.441 . . . . 0.0 111.129 -171.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.68 -5.1 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.745 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -51.6 113.12 0.88 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.178 0.513 . . . . 0.0 110.825 -177.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -99.56 -27.2 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.192 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.4 p -98.5 123.49 50.01 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.289 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.76 112.79 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.424 2.083 . . . . 0.0 111.106 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.3 p -77.28 -13.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.65 -171.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.29 -47.73 66.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.1 -26.6 65.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 110.139 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 173.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtp180 -70.47 -42.07 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 175.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.7 t -55.89 -46.39 78.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.647 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.7 -34.92 73.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.589 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.02 98.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.213 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.43 -37.31 86.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.234 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.24 -39.62 78.38 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.138 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -82.61 -18.05 42.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.943 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.43 39.79 8.16 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.739 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.97 -174.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -112.63 156.56 22.51 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.988 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -127.89 126.29 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.015 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 23.4 t -133.47 132.93 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.498 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -86.47 137.76 32.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -128.06 140.92 51.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.018 0.437 . . . . 0.0 110.906 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.473 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 50.8 m -119.43 107.21 13.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.928 176.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.75 -9.05 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.029 0.442 . . . . 0.0 110.394 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.94 -31.31 64.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.3 t -145.89 11.99 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.497 ' O ' ' HD2' ' A' ' 162' ' ' ARG . 4.5 tmm_? 61.73 80.6 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.189 -174.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -124.6 120.11 30.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.717 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.76 7.17 6.12 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.13 0.894 . . . . 0.0 111.473 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.72 -48.78 79.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.497 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.72 -43.95 97.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.863 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 171' ' ' ASP . 2.5 tmmm? -56.2 -52.64 63.67 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.678 -172.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.98 -32.81 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -68.34 -46.81 69.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.736 0.303 . . . . 0.0 110.769 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.542 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 75.9 m-85 -69.34 -40.58 77.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.691 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.479 ' HB2' ' HD2' ' A' ' 167' ' ' LYS . 21.5 t70 -59.08 -51.42 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.0 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.78 -36.57 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.655 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.3 mtm -63.52 -29.69 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 30.9 mmm-85 -69.15 -40.17 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.08 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 29.0 mt-10 -64.13 -37.13 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.501 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.451 HG23 ' OE1' ' A' ' 87' ' ' GLU . 79.9 mt -56.26 -54.29 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.95 -35.81 77.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 41.4 m -73.55 -42.96 61.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.147 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.978 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -70.48 -33.42 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.8 -35.51 72.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm -79.29 -29.78 42.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.98 0.419 . . . . 0.0 109.872 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.0 m 67.44 -78.69 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 185' ' ' LYS . 32.6 mt-10 -141.33 123.8 15.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.991 0.424 . . . . 0.0 110.595 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -83.54 25.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.42 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 183' ' ' GLU . 55.1 mttp . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.038 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 50.3 m -92.62 85.21 5.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.713 ' HG3' ' H ' ' B' ' 394' ' ' THR . 6.0 pt-20 -82.07 -67.43 0.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.713 ' H ' ' HG3' ' B' ' 393' ' ' GLU . 89.7 m -73.79 -33.42 64.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.047 0.451 . . . . 0.0 109.9 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.517 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 96.7 mt-30 -59.44 -28.25 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.294 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.83 -49.86 75.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 0.0 110.073 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -68.22 -40.33 87.79 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.856 176.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.614 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.31 -52.84 47.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.591 0.23 . . . . 0.0 110.958 177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.4 mttt -59.44 -40.8 87.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.83 -40.08 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.806 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.8 mt-10 -76.45 -30.43 57.35 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.665 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.765 HG12 ' HG ' ' B' ' 439' ' ' LEU . 62.5 mt -61.45 -53.3 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' B' ' 404' ' ' ARG . 0.0 OUTLIER -62.71 -28.62 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.681 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 40.0 ttm180 -62.44 -52.08 64.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.373 174.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.6 mm-40 -70.81 -32.69 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 71.7 mt-10 -61.31 -44.01 97.93 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.95 -45.83 80.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 412' ' ' LEU . 67.7 mt -59.7 -52.32 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 57.9 tp -64.9 -32.25 73.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.19 -45.16 94.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.39 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -61.13 -49.27 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.014 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.614 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.2 mm? -55.74 -35.74 66.51 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.436 175.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -72.48 -42.57 64.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.448 ' HA ' HE21 ' B' ' 417' ' ' GLN . 47.2 ttt180 -76.06 -53.58 8.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.676 -168.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.82 -37.31 79.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.359 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.607 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 9.1 mp -68.85 -27.32 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.364 -174.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' B' ' 414' ' ' ARG . 38.8 mt-30 -60.7 -27.21 67.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.318 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.4 13.1 42.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.252 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.37 3.05 87.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.036 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.1 mt -75.42 116.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -134.75 144.04 47.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.969 0.89 . . . . 0.0 112.24 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 17.1 t70 -149.89 171.73 16.31 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -33.36 68.98 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 118.746 0.703 . . . . 0.0 109.891 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.6 p -63.45 -37.34 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.516 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.647 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -69.61 -29.67 67.23 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.35 -174.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.647 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 0.9 OUTLIER -73.35 -49.39 27.6 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 109.899 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.4 mm-40 -65.81 -45.04 83.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.414 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.497 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.8 tpt180 -67.07 -32.39 73.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 2.0 mt -55.34 -51.02 68.12 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.357 0.41 . . . . 0.0 110.218 177.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' B' ' 433' ' ' GLN . 29.5 m95 -68.42 -42.71 78.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.793 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 53.7 mt-10 -58.22 -55.9 29.05 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 12.9 p -63.28 -34.07 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.8 tp60 -55.89 -51.09 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.919 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 14.3 mtp180 -64.85 -33.85 76.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -69.73 -50.08 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.817 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.574 HD11 ' HE2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.57 -41.57 81.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.5 t -71.81 -43.29 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.268 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.79 -34.38 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.279 0.561 . . . . 0.0 109.869 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.765 ' HG ' HG12 ' B' ' 402' ' ' ILE . 23.6 tp -70.12 -35.83 74.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.597 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.574 ' HE2' HD11 ' B' ' 436' ' ' LEU . 64.3 mttm -66.24 -35.51 80.6 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.291 0.567 . . . . 0.0 109.899 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -64.28 -41.74 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.507 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.1 mmmm -57.94 -32.92 68.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.152 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.28 -48.36 82.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.421 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -81.09 -3.01 50.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -99.3 -28.29 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.523 -177.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.28 -177.119 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.49 ' N2 ' ' HD3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 12' ' ' LEU . 29.2 tt0 64.23 83.41 0.17 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.386 0.612 . . . . 0.0 111.389 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 m -124.3 -38.21 2.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.454 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -131.26 70.74 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 109.607 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 9' ' ' GLN . 91.2 mt -132.54 14.14 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.309 -176.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.1 9.03 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.333 0.587 . . . . 0.0 111.09 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.52 127.69 41.29 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.43 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.76 152.24 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.377 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.856 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 1.8 tpmt? -128.18 131.66 48.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.918 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.75 137.3 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.927 0.394 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.5 mt -121.88 123.44 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.7 mmt -83.32 107.78 16.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.156 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.16 171.51 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.261 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.76 171.23 28.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.426 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -73.65 -57.68 3.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.235 0.541 . . . . 0.0 110.532 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -125.83 -61.28 0.16 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.935 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . 155.37 66.03 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.824 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -60.97 -40.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' HA2' ' N7 ' ' A' ' 500' ' ' GNP . . . -159.59 56.81 0.33 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.694 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.935 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 10.6 mtpp -95.25 -74.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.768 0.318 . . . . 0.0 111.636 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' THR . 1.1 m -70.39 -16.01 62.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.696 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.09 -52.12 21.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.871 0.367 . . . . 0.0 110.654 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.69 -36.46 84.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.532 -177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 35' ' ' MET . 34.5 p -71.52 -41.31 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.473 -177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 40' ' ' VAL . 29.9 tp -62.35 -35.97 80.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.819 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 44.4 mt-30 -66.65 -33.17 75.06 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.173 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.26 -27.46 62.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.372 0.606 . . . . 0.0 110.353 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 31' ' ' THR . 80.9 mtp -79.59 -61.26 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.938 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -101.95 -3.31 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' CG ' HH12 ' A' ' 162' ' ' ARG . 3.2 t70 67.42 16.43 10.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.484 0.659 . . . . 0.0 110.92 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.63 171.64 8.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.231 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -92.99 144.4 25.29 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 32' ' ' LEU . 5.7 p -70.1 127.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.36 -66.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -140.74 110.56 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.048 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -147.53 115.12 6.36 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 35.6 tt0 -94.73 -65.58 0.11 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 87.5 Cg_exo -43.45 -92.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 123.417 2.745 . . . . 0.0 114.979 -163.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.895 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 7.8 p 53.02 21.79 2.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -86.11 -41.71 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.72 21.34 8.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.649 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.895 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.4 m-20 -82.63 77.62 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.535 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 49.8 m -92.1 147.15 23.16 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -140.57 126.29 19.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.497 . . . . 0.0 110.946 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -75.18 104.51 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -105.42 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.044 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -102.0 118.63 37.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.46 152.77 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.189 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -143.4 128.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.058 0.456 . . . . 0.0 110.84 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.97 96.11 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 35.42 75.0 0.06 Allowed 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.266 0.979 . . . . 0.0 112.488 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.22 -113.84 0.57 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.8 pt-20 -96.41 151.92 19.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.833 0.349 . . . . 0.0 111.571 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.99 112.42 12.4 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.12 142.69 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.192 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -113.17 121.29 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.554 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.49 136.22 61.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.856 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 13.9 t0 -118.15 136.4 53.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' SER . 69.9 mt -108.27 119.71 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.653 -171.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 20.0 tp -106.19 136.18 46.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.723 172.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -120.11 115.91 24.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 110.057 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.2 p -76.92 141.32 40.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.02 130.59 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.299 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.653 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.74 65.28 4.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.312 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.27 159.88 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.314 . . . . 0.0 111.049 -178.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.1 14.95 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.9 m-20 -90.52 -77.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.394 0.616 . . . . 0.0 111.24 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.523 ' H ' HD13 ' A' ' 72' ' ' LEU . 66.7 m-85 -76.49 75.26 3.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.366 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.68 -13.54 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.624 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.63 -15.95 63.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.073 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.695 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 42.6 mt -94.74 -27.35 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.647 ' HE ' ' HG2' ' A' ' 110' ' ' GLN . 45.6 ttt180 -92.37 -65.77 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.493 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.43 -48.55 26.92 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.313 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.624 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 24.1 m120 -67.91 -31.88 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.695 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.7 m-85 -82.18 -14.6 55.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' HB2' HG21 ' A' ' 114' ' ' VAL . 7.1 m-30 -67.4 -16.97 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -52.91 -61.01 2.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.972 0.415 . . . . 0.0 111.138 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 m -87.23 19.58 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.704 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.86 130.79 10.47 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.258 -0.973 . . . . 0.0 111.969 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 30.1 mt-10 -98.59 -70.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.74 132.0 10.95 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.962 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.9 m-85 -119.86 121.34 38.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.052 0.453 . . . . 0.0 111.019 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.8 mt -93.75 115.07 27.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.2 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 mt -92.88 106.27 18.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 126' ' ' VAL . 17.0 m -109.74 132.22 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.221 0.534 . . . . 0.0 112.047 -173.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.05 152.18 43.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.764 . . . . 0.0 108.956 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 t -101.15 143.3 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 -1.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.331 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.475 ' CG2' HD22 ' A' ' 132' ' ' LEU . 22.3 p -87.54 -25.87 23.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.196 173.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -112.19 102.08 10.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 101' ' ' PHE . 59.9 t-80 -74.7 -24.52 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.325 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.23 -47.04 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.9 m -67.69 -20.04 65.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.21 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 45.4 t80 -70.67 -47.5 59.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -64.96 -31.89 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.373 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.06 -15.31 63.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.574 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.521 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.0 p -59.03 -35.57 73.53 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.079 0.466 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -38.26 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.047 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.08 -43.48 92.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.1 m-85 -57.41 -48.07 80.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.333 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -55.9 -53.34 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.87 -32.93 73.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.438 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.647 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 7.0 tp-100 -68.61 -30.83 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.2 mt -75.12 -43.93 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.392 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.59 -21.99 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.663 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 13.4 ttt85 -51.99 -43.96 63.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.957 174.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 83' ' ' PHE . 11.6 m -99.15 -9.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 62.1 mttm -120.92 -99.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.909 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.39 -69.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.032 0.933 . . . . 0.0 112.594 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.9 22.1 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -170.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -85.65 -78.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.466 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -147.39 -95.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.024 -0.423 . . . . 0.0 111.225 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.603 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 75.4 mmtt -141.15 128.16 20.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.4 mt -104.83 99.32 18.27 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.373 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 14.9 Cg_exo -68.46 104.35 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.593 2.195 . . . . 0.0 111.703 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 89' ' ' PHE . 50.3 mt -100.44 143.01 31.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.485 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 153' ' ' GLN . 7.0 tp -139.62 119.3 13.19 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.029 0.442 . . . . 0.0 110.054 176.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.2 t -87.57 114.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.751 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.789 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.1 t -113.06 117.67 55.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.3 101.6 2.45 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.416 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 2.1 p-10 -89.49 146.6 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.4 0.619 . . . . 0.0 111.703 -175.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.599 ' HB2' ' C6 ' ' A' ' 500' ' ' GNP . 77.1 tttt 60.36 73.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.73 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 p -89.8 7.19 38.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.432 0.634 . . . . 0.0 109.365 171.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.61 -19.55 63.64 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -71.76 -49.4 39.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.126 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.88 -71.53 0.09 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 112.765 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.876 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.6 pt-20 -56.54 -36.17 68.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -171.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.876 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 94.6 mtt180 -96.19 27.42 3.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.895 -169.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.664 HH11 ' HB ' ' A' ' 140' ' ' VAL . 14.4 ttm180 -69.44 112.42 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.405 . . . . 0.0 109.933 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -92.98 -26.31 17.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.067 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.31 117.89 56.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.002 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.663 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 38.0 Cg_exo -59.72 111.49 0.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.112 1.875 . . . . 0.0 109.584 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.664 ' HB ' HH11 ' A' ' 136' ' ' ARG . 2.9 p -67.47 -10.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -167.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.22 -30.13 69.97 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.298 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.8 pt-20 -75.23 -22.66 57.74 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.648 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -73.7 -41.96 61.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.08 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.5 mtp180 -63.75 -34.85 78.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.995 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.5 t -55.91 -45.46 78.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.625 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.2 mmtt -69.98 -36.19 75.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.588 0.233 . . . . 0.0 111.223 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.3 88.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.34 -32.85 70.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.83 -42.95 99.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.014 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -92.31 -13.4 30.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.52 37.23 12.35 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.576 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.7 m -119.67 179.12 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.498 0.189 . . . . 0.0 110.629 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.674 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.4 pt20 -99.4 158.16 15.92 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.531 176.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -127.47 125.86 41.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.36 126.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.577 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.24 132.66 33.83 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 128' ' ' ASN . 20.7 p -116.9 130.08 56.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.063 0.459 . . . . 0.0 111.134 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.6 m -105.57 114.38 28.51 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.642 ' HB3' ' N1 ' ' A' ' 500' ' ' GNP . . . -88.03 -13.84 40.56 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.407 -173.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.68 -40.0 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.213 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.8 p -100.43 -8.47 23.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.103 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.49 HH12 ' CG ' ' A' ' 37' ' ' ASP . 61.4 mtm180 58.99 70.7 0.63 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.774 -173.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.6 122.36 41.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.504 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 73.96 9.3 4.72 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.988 0.805 . . . . 0.0 111.347 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.63 -55.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.47 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.0 -35.33 74.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.246 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -56.96 -53.54 56.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.514 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.01 -28.75 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.78 -48.84 23.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.1 m-85 -70.04 -45.6 66.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.459 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -46.7 82.08 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.283 0.365 . . . . 0.0 110.963 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 176' ' ' ILE . 48.0 tp -61.5 -46.05 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 59.2 mtm -61.66 -30.55 70.8 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.575 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 15.6 mmt180 -65.53 -50.17 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.934 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 16.2 mt-10 -61.1 -36.09 78.75 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.366 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.586 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.6 mt -55.47 -40.91 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.207 0.317 . . . . 0.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 12' ' ' LEU . 54.7 mtt180 -61.21 -44.46 97.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.088 0.47 . . . . 0.0 110.313 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.6 m -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.518 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 67.9 mmtt -67.11 -48.52 67.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.631 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 23.5 mtpp -67.53 -27.6 67.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.181 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.9 mtm -85.76 -29.94 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.184 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.0 t 64.18 -174.92 0.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 50.21 70.63 0.48 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.757 0.789 . . . . 0.0 110.397 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.92 27.96 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.655 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.136 176.785 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 20.1 m -80.42 -43.29 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 51.27 -93.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.067 0.854 . . . . 0.0 112.033 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.4 ' O ' HG12 ' B' ' 398' ' ' ILE . 24.0 m -69.32 -33.76 73.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.28 -28.9 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.72 -55.61 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.2 -40.43 94.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.957 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.44 ' O ' HG13 ' B' ' 402' ' ' ILE . 36.3 mm -56.85 -52.03 60.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.67 0.271 . . . . 0.0 110.769 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.11 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.937 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -62.15 -39.49 92.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.68 -34.07 64.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.621 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.651 ' HA ' HD23 ' B' ' 439' ' ' LEU . 40.8 mt -59.47 -53.36 49.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.808 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -64.78 -29.65 70.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.368 . . . . 0.0 110.531 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 51.1 ttp180 -63.91 -46.02 86.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.221 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -71.9 -38.48 69.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -63.17 -34.08 76.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.988 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -72.94 -38.91 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.423 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.12 -43.5 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.13 -42.85 77.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.394 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 18.2 t -62.27 -55.17 30.97 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.4 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.3 mm? -54.51 -39.3 67.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.849 176.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.417 ' HD2' HD21 ' B' ' 429' ' ' LEU . 18.1 m170 -62.02 -44.56 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -77.11 -48.47 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -44.86 91.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.21 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -74.9 -26.48 59.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.237 -176.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.26 -25.21 67.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.92 -7.75 81.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.576 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 111.06 -17.35 27.07 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.862 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.651 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.1 mt -83.72 116.45 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -147.72 145.94 29.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.587 0.708 . . . . 0.0 110.343 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.2 t70 -129.98 161.28 31.29 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.6 mm? -60.82 -33.81 73.59 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.343 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.5 m -65.53 -32.11 73.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.56 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 59.7 mmtt -69.24 -45.97 68.47 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.006 -176.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.66 -38.62 91.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.241 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 31.5 mt-10 -66.17 -45.5 80.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.219 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.646 ' O ' HG23 ' B' ' 432' ' ' VAL . 25.1 tpt180 -65.97 -34.94 79.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.466 -177.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 429' ' ' LEU . 3.8 mt -57.24 -51.83 67.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.883 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.658 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 55.7 m95 -63.92 -30.98 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.91 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 23.4 mt-10 -63.32 -54.69 33.03 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.22 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 428' ' ' ARG . 9.9 t -58.22 -37.18 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 29.2 tp60 -57.27 -54.02 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.331 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.609 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.06 -25.73 62.76 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.873 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -68.1 -50.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -40.83 94.25 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.403 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.609 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.5 t -68.72 -38.46 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.772 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.81 -34.76 74.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.362 0.601 . . . . 0.0 109.82 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' B' ' 402' ' ' ILE . 5.3 tp -67.23 -39.62 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.027 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -65.27 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.084 0.468 . . . . 0.0 109.79 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.88 -41.64 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -59.97 -38.67 83.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.891 175.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.535 ' HB2' HD11 ' B' ' 402' ' ' ILE . 59.2 tp -62.43 -49.97 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.407 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -70.43 -9.55 56.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.32 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -91.15 -17.06 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.048 -178.368 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.714 ' O1B' ' HA3' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 503' ' ' HOH . . . . . 0.409 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -93.57 83.59 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -113.84 -68.84 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.4 t -123.29 51.87 1.43 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 109.59 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 81.6 mt -86.02 -21.05 27.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.7 6.53 47.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 tp -128.57 121.66 29.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.714 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -134.46 128.69 33.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.603 ' HD2' ' NH2' ' B' ' 434' ' ' ARG . 30.8 mmtp -109.66 120.19 41.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.97 132.06 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 0.0 110.762 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -119.77 122.06 67.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.962 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.4 ttm -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 91' ' ' LEU . 19.9 m -95.45 165.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 111.125 -173.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.83 121.24 0.86 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.644 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 1.5 p -70.47 -60.52 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.578 0.222 . . . . 0.0 111.21 -176.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.99 -48.21 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.95 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.596 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 159.94 -53.15 0.36 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.52 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 93' ' ' PHE . 24.4 m 44.33 30.28 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.12 12.24 60.37 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.596 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 60.7 pttt -65.43 -47.48 76.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.985 0.893 . . . . 0.0 112.237 -177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -63.01 -18.78 63.69 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.8 -39.47 66.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.7 0.286 . . . . 0.0 110.926 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 128' ' ' ASN . 89.6 mt -73.68 -41.17 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.447 -174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -61.62 -44.74 96.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' HG22 ' A' ' 40' ' ' VAL . 3.9 mm? -67.66 -26.7 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.96 HE22 ' HA ' ' A' ' 39' ' ' PHE . 73.5 mm-40 -61.84 -47.65 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.3 0.572 . . . . 0.0 109.815 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -71.82 -18.85 62.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.81 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.2 mtp -93.62 -62.41 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.85 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -104.48 -12.45 16.5 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 70.2 21.76 5.79 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 0.0 110.963 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.41 154.02 33.13 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.139 -0.351 . . . . 0.0 110.85 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.96 ' HA ' HE22 ' A' ' 33' ' ' GLN . 51.0 t80 -80.06 124.46 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 32' ' ' LEU . 13.8 t -54.23 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.951 0.782 . . . . 0.0 112.501 -165.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.11 -47.25 10.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.974 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.07 97.28 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.015 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -168.97 91.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.76 ' H ' ' HD3' ' A' ' 45' ' ' PRO . 4.6 mm-40 -118.93 -7.58 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -174.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.76 ' HD3' ' H ' ' A' ' 44' ' ' GLU . 3.4 Cg_exo -80.47 36.12 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 122.185 1.816 . . . . 0.0 113.056 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -87.22 58.44 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.0 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -86.06 -58.92 2.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -127.73 -36.0 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.616 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -55.14 116.41 2.78 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.78 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 p -153.85 150.71 28.7 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.464 -174.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.503 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 15.9 m-85 -124.7 148.37 48.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -92.0 146.44 23.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.436 0.636 . . . . 0.0 111.3 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.57 142.59 32.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.685 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 35.2 ttmt -106.77 118.12 35.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.224 174.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.0 m -129.94 157.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.068 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -144.05 129.27 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.381 0.61 . . . . 0.0 110.794 175.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.7 98.27 7.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.544 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 71.77 -39.1 0.44 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.061 0.85 . . . . 0.0 113.201 176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.19 -116.11 3.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.685 -0.769 . . . . 0.0 114.723 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 pt-20 -107.1 163.89 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.369 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 54' ' ' LYS . 62.8 mt-10 -63.43 122.48 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.38 0.609 . . . . 0.0 111.112 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.64 147.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.507 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.21 137.72 51.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.9 117.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.1 141.72 29.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.007 0.432 . . . . 0.0 110.562 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mm -108.38 122.59 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.274 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD22 ' CH2' ' B' ' 430' ' ' TRP . 43.7 tp -102.44 115.83 31.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.27 -35.45 68.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.265 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m 71.68 152.62 0.12 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.711 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.78 108.21 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.644 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -91.3 42.84 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.916 -169.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -119.15 179.18 4.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.051 0.425 . . . . 0.0 110.856 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.66 -29.1 21.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.753 -171.239 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -68.71 0.24 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.923 0.868 . . . . 0.0 109.976 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.444 ' HA ' ' CD ' ' B' ' 417' ' ' GLN . 70.0 m-85 -83.93 52.59 2.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.412 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.99 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.66 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.09 -28.14 69.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.305 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.802 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 3.5 mt -86.91 -23.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.293 0.568 . . . . 0.0 109.956 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -92.53 -65.37 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.677 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -76.89 -54.43 6.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 111.339 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 54.5 m-20 -69.11 -38.56 78.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.467 -169.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.802 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.5 m-85 -67.39 -22.53 65.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.626 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.9 m-30 -72.05 -6.14 40.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.464 HH21 ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -59.93 -65.32 0.7 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -178.596 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.537 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 1.4 t -89.09 30.85 0.91 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 111.403 -171.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.13 163.91 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 62.8 mt-10 -115.53 -75.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.384 0.592 . . . . 0.0 110.462 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.58 139.75 14.67 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.873 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -117.37 132.88 56.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.541 . . . . 0.0 111.46 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.9 mt -102.54 111.79 24.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 125' ' ' VAL . 24.9 mt -90.49 106.11 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.689 HG12 ' HB ' ' A' ' 126' ' ' VAL . 35.1 m -113.14 146.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.999 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' HG21 ' A' ' 25' ' ' VAL . 47.2 p90 -156.24 145.59 20.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 176.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 m -77.15 130.87 37.9 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.99 3.34 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.119 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.499 ' CG2' HD13 ' A' ' 132' ' ' LEU . 15.3 p -90.85 -26.91 19.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.212 0.529 . . . . 0.0 110.537 171.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -96.69 94.19 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.108 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.11 -24.59 65.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.9 -46.08 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.904 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -68.53 -25.07 64.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 73.8 t80 -69.56 -46.26 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.216 176.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.3 m -64.8 -27.83 69.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.325 0.583 . . . . 0.0 110.331 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.96 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.131 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 49.4 p -61.88 -33.4 74.13 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.613 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.865 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.0 tp10 -61.52 -41.32 97.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.054 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.0 m-85 -58.49 -49.73 76.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.6 -48.38 77.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.817 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.61 -28.47 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.657 0.265 . . . . 0.0 111.019 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -65.19 -41.88 94.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 109.848 175.163 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 107' ' ' PHE . 72.7 mt -68.71 -43.23 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.34 -18.27 65.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.872 0.368 . . . . 0.0 110.611 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 41.0 ttt85 -75.79 -47.12 27.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.032 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 83' ' ' PHE . 24.9 m -84.76 -19.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.091 -174.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -108.25 -81.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.686 0.279 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.77 -60.96 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.095 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.47 77.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.059 0.457 . . . . 0.0 111.763 -171.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.51 -165.83 2.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.169 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.61 -86.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -136.44 144.35 44.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.899 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mt -120.75 98.79 47.72 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.473 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.4 Cg_endo -86.94 131.44 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.346 2.698 . . . . 0.0 112.684 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.31 122.67 36.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.31 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.9 tp -111.58 115.64 29.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.57 HG22 HD12 ' A' ' 91' ' ' LEU . 11.1 t -84.06 117.15 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.911 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.689 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -118.08 117.84 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.838 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.437 ' HA3' ' OE2' ' A' ' 156' ' ' GLU . . . -79.49 127.55 8.05 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.482 HD22 HD11 ' A' ' 30' ' ' LEU . 17.4 t-20 -119.43 163.77 16.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.941 0.371 . . . . 0.0 110.5 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 72.9 mmtt 70.24 22.0 5.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.579 0.549 . . . . 0.0 110.398 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.0 m -63.18 -1.06 0.89 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.399 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.95 -13.49 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.348 0.594 . . . . 0.0 109.736 171.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.0 mt -89.76 54.26 2.81 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.296 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.63 -26.87 68.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.75 0.309 . . . . 0.0 111.591 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.48 0.28 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.986 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.4 mtp180 -124.21 11.7 8.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.741 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.56 113.24 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.995 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.58 -27.69 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.455 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 10.4 p -101.97 121.1 51.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.822 177.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 15.7 Cg_exo -68.23 124.17 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.555 2.17 . . . . 0.0 112.126 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.497 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.9 OUTLIER -50.68 -29.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.711 175.397 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.76 -54.52 45.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.8 -29.06 65.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.834 0.35 . . . . 0.0 110.475 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -66.01 -49.41 67.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -65.28 -34.1 77.56 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.567 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -54.99 -48.39 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.338 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -63.16 -39.99 96.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.72 -45.22 95.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.72 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.48 -37.66 88.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.578 0.704 . . . . 0.0 109.838 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.37 -42.78 99.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -92.24 -3.4 55.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.51 44.38 50.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.352 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.61 -175.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.643 0.259 . . . . 0.0 110.906 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -104.44 141.01 37.1 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.858 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.516 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 81.9 t80 -116.54 114.41 24.12 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.3 135.76 63.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.437 ' OE2' ' HA3' ' A' ' 127' ' ' GLY . 23.3 mm-40 -85.37 133.17 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.5 p -125.05 128.53 48.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.638 0.733 . . . . 0.0 111.222 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.4 m -98.51 136.28 38.85 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.656 ' HB3' ' N2 ' ' A' ' 500' ' ' GNP . . . -109.09 -21.04 12.79 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.793 -172.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.532 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 21.9 tptm -84.18 -39.92 18.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.4 p -90.82 -18.15 25.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 64.33 86.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.996 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.99 134.01 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.235 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 66.38 13.37 9.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.653 0.781 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.1 t -68.09 -53.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.787 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.54 -33.98 77.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.269 0.557 . . . . 0.0 110.16 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.64 -52.62 59.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.023 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.2 m -61.98 -27.43 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -74.91 -47.28 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.657 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.4 -43.17 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -42.81 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 111.381 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -63.76 -42.4 97.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.251 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.8 mtm -64.91 -30.88 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 13.0 mmt180 -64.47 -42.98 95.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.059 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 mt-10 -61.44 -41.05 96.58 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.769 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.75 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 63.3 mt -58.33 -26.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.917 0.389 . . . . 0.0 110.796 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.555 ' NH1' ' HB3' ' A' ' 12' ' ' LEU . 32.3 mmt180 -62.76 -48.97 76.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -63.43 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.75 ' HG2' ' HA ' ' A' ' 176' ' ' ILE . 38.9 mmtt -64.64 -46.85 80.76 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.5 mmtt -65.31 -46.4 80.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.281 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.53 -40.81 96.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 61.9 m 65.6 -67.76 0.13 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.898 0.749 . . . . 0.0 111.928 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.72 109.01 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.048 0.451 . . . . 0.0 110.135 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -98.51 -25.39 14.78 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.883 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.3 pttp . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.554 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 27.2 m -51.42 -39.22 56.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.56 -53.47 54.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.971 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.596 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.8 m -75.05 -38.12 61.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 -177.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 57.2 mt-30 -61.43 -29.56 70.02 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.86 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.17 -50.08 72.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.465 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.99 -34.4 70.8 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.872 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 394' ' ' THR . 39.6 mm -59.46 -53.54 46.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.326 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.2 mttt -57.87 -44.37 86.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.687 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.8 -40.63 93.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 22.3 tt0 -75.44 -37.01 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.681 HG12 ' HB3' ' B' ' 439' ' ' LEU . 75.4 mt -53.4 -52.75 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.27 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -61.16 -35.84 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.52 -42.65 99.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.538 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.481 ' HB2' HD23 ' B' ' 436' ' ' LEU . 85.2 mm-40 -76.27 -34.54 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 62.6 mt-10 -63.32 -38.95 93.16 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.0 -46.22 85.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.525 ' O ' HD23 ' B' ' 412' ' ' LEU . 28.3 mt -57.68 -45.67 85.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.716 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.9 tp -61.24 -47.62 85.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.382 0.61 . . . . 0.0 109.471 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.72 -44.11 85.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.798 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 80.0 p -60.74 -51.97 67.11 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.931 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.9 -44.54 78.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 2.6 m-70 -57.84 -49.99 74.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.384 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.01 -30.52 55.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.726 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.98 -49.49 51.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 429' ' ' LEU . 69.7 mt -65.49 -36.63 84.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.784 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 6.8 mt-30 -70.99 -9.28 57.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.03 -12.76 80.57 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.027 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 117.24 32.49 1.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.926 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 66.7 mt -137.85 144.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.487 ' HA ' HD22 ' B' ' 416' ' ' LEU . 2.3 pttm -161.12 150.2 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.187 0.518 . . . . 0.0 110.872 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.609 ' HB3' ' HE2' ' B' ' 425' ' ' LYS . 18.3 t70 -149.49 158.02 43.8 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 427' ' ' GLU . 8.4 mp -58.22 -30.12 66.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.087 0.403 . . . . 0.0 111.27 -176.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.19 -34.34 77.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HE2' ' HB3' ' B' ' 422' ' ' ASP . 39.1 mmtt -72.98 -43.55 62.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.197 -176.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 422' ' ' ASP . 0.5 OUTLIER -58.41 -47.18 84.77 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.872 -178.447 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.3 mm-40 -65.51 -38.26 89.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.255 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.631 ' O ' HG12 ' B' ' 432' ' ' VAL . 9.0 mmt180 -60.52 -38.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.683 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.552 HD11 HD12 ' B' ' 416' ' ' LEU . 16.5 mt -55.76 -48.58 75.03 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 123.441 0.463 . . . . 0.0 110.562 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 89.5 m95 -71.75 -37.71 70.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.957 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 52.9 mt-10 -59.94 -54.9 40.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.142 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.631 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.6 p -63.78 -33.61 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.355 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.1 tp60 -56.37 -51.41 68.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.563 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.603 ' NH2' ' HD2' ' A' ' 16' ' ' LYS . 4.5 mpt_? -68.8 -31.88 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 111.262 -177.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 39.5 mt -67.56 -47.63 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 109.771 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.7 tm? -59.07 -45.17 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.503 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 6.6 t -69.28 -34.46 74.76 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.084 0.468 . . . . 0.0 110.681 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.47 -39.6 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' B' ' 442' ' ' LYS . 1.6 mp -61.43 -37.25 82.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.682 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 58.8 mmtt -58.31 -42.71 87.29 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.659 0.742 . . . . 0.0 109.462 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.79 -43.05 97.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.827 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.689 ' HD3' HD12 ' B' ' 439' ' ' LEU . 28.5 mtpp -58.27 -35.77 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.242 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 37.7 tp -63.32 -39.75 95.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.847 0.356 . . . . 0.0 110.561 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -82.12 -6.2 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.564 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.78 -35.51 14.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.395 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.656 ' N2 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 67.44 -72.9 0.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.312 0.645 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 t -175.74 178.97 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 p -75.02 105.95 6.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -55.39 32.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.021 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 61' ' ' GLU . . . 63.38 3.2 1.33 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 tp -129.57 112.12 13.4 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CD2' HG13 ' A' ' 62' ' ' VAL . 27.6 m-70 -136.43 138.25 41.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 70.6 mmtt -120.93 120.03 34.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.512 0.196 . . . . 0.0 110.888 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.85 123.5 65.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.8 mt -109.27 135.53 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 90' ' ' LEU . 92.4 mmm -97.6 114.4 26.32 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.0 m -107.82 162.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.697 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.63 165.94 26.86 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -71.26 95.93 1.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.459 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 71.57 -75.19 0.7 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.724 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.27 80.71 0.07 OUTLIER Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.43 -67.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.542 ' HA3' ' H8 ' ' A' ' 500' ' ' GNP . . . -164.11 26.22 0.2 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.479 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.5 pttp -78.39 -15.66 58.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.268 . . . . 0.0 111.428 -175.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HD23 ' A' ' 32' ' ' LEU . 26.6 m -78.92 -29.22 44.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.948 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.25 -44.04 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 159' ' ' ALA . 95.4 mt -66.39 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.88 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 66' ' ' ILE . 22.1 p -68.02 -45.57 73.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.335 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 28' ' ' SER . 4.6 mm? -63.18 -31.21 72.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -61.68 -56.22 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.887 174.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.99 -36.94 80.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 53' ' ' LYS . 8.2 tpp -69.7 -49.3 54.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.765 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 47.4 m-85 -106.84 -81.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.684 -177.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 35.1 t70 164.45 -29.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.0 0.812 . . . . 0.0 110.358 -177.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.09 165.63 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.835 -172.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -88.1 125.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.068 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.91 150.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.336 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -91.11 19.38 5.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.0 109.924 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' OD2' ' N3B' ' A' ' 500' ' ' GNP . 24.9 t70 67.59 109.34 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.424 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 97.5 m-85 -72.42 159.41 34.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.208 175.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 44.9 mt-10 -77.5 -49.01 2.28 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.849 167.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.4 Cg_endo -60.52 -108.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 123.001 2.468 . . . . 0.0 114.656 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.492 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 23.4 p 53.62 33.49 16.59 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.604 0.761 . . . . 0.0 111.404 -173.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.07 -56.23 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.297 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.43 18.93 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.697 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' A' ' 45' ' ' PRO . 22.1 m-20 -85.89 95.49 9.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.03 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -104.09 145.19 30.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.1 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -131.06 145.73 52.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.624 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 33.0 ttm180 -101.75 113.69 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.095 0.474 . . . . 0.0 110.938 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 51.6 tptt -98.14 121.41 40.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.864 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 34.7 ttmt -90.72 118.2 29.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.263 0.554 . . . . 0.0 110.924 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.83 168.05 20.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 1.5 p -134.35 113.54 17.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.5 HD21 ' CD1' ' A' ' 170' ' ' PHE . 96.7 mt -88.92 99.09 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.895 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 70.2 -47.67 0.63 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.859 0.864 . . . . 0.0 112.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.47 32.07 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.26 -0.972 . . . . 0.0 113.924 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -127.46 119.12 25.4 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 170.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 32.3 mt-10 -70.11 111.72 5.96 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' GLU . 20.4 t -103.88 137.94 30.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -166.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 46.7 mt-30 -112.93 116.17 29.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 53' ' ' LYS . 10.9 tt -118.52 115.53 48.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.315 0.579 . . . . 0.0 110.397 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.17 127.18 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.582 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' CG2' ' A' ' 31' ' ' THR . 48.5 mm -107.93 127.93 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.805 0.336 . . . . 0.0 111.298 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.2 mt -111.6 118.84 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.476 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 32.2 t0 -90.22 86.55 6.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -68.34 138.69 55.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.453 -172.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.3 113.46 8.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.509 173.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.417 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -86.24 76.21 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.85 -175.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -149.16 178.51 8.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.89 -29.85 68.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.342 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 6.0 m-20 -88.48 -164.41 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.12 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' HD12 ' A' ' 78' ' ' ILE . 14.5 m-85 43.57 42.61 4.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.492 0.663 . . . . 0.0 111.975 -176.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -14.66 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.326 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.1 -14.19 61.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.785 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 19.3 mt -97.53 -37.97 7.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.373 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -92.29 -65.31 1.01 Allowed 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.654 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.482 ' OD1' ' HD3' ' B' ' 421' ' ' LYS . 4.6 t70 -60.06 -50.73 72.54 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 111.518 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 34.6 m-80 -73.92 -25.99 60.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.852 -171.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 4.0 m-85 -88.31 -36.88 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.482 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.7 m-30 -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.362 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -48.8 -65.91 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.856 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.474 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 4.8 t -87.82 24.74 1.68 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.45 0.643 . . . . 0.0 110.019 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.96 -177.84 51.94 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.5 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 36.3 tt0 -143.85 -79.27 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.06 147.95 16.35 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.855 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD12 ' A' ' 18' ' ' ILE . 81.7 m-85 -134.01 133.96 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.981 0.391 . . . . 0.0 111.208 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 124' ' ' LEU . 81.2 mt -108.79 122.02 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.14 107.78 19.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -110.47 126.43 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.131 0.491 . . . . 0.0 110.516 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.59 155.38 48.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -97.16 141.14 30.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.63 -4.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.337 -178.336 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 p -88.06 -42.2 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -86.37 95.83 9.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -64.34 -24.17 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.19 -37.93 89.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.301 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 m -64.9 -31.85 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.63 -40.2 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.637 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.7 m -73.75 -33.51 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -23.1 67.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.192 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 76.8 p -56.7 -37.57 71.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.83 95.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.551 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 20.3 tt0 -61.62 -42.98 99.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.615 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.6 m-85 -57.77 -51.4 69.71 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.299 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -58.53 -54.41 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.281 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.7 -31.08 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 22.8 tp60 -70.31 -34.44 72.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.361 . . . . 0.0 110.387 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 121' ' ' ILE . 54.7 mt -71.14 -41.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.277 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.2 mp -66.54 -23.99 66.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -71.52 -38.14 71.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 83' ' ' PHE . 34.8 m -91.64 -30.15 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 60.8 mttm -101.81 -100.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.325 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.95 -56.38 0.43 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.067 0.947 . . . . 0.0 113.364 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.48 0.4 29.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 -152.06 0.39 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.751 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.04 -83.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 74.9 mmtt -138.61 153.19 48.63 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.485 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 111' ' ' ILE . 36.6 mt -126.7 97.86 32.43 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.801 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.711 ' HG3' ' HG2' ' A' ' 179' ' ' LYS . 3.7 Cg_exo -80.78 115.3 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.265 2.644 . . . . 0.0 112.165 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.65 160.84 15.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.381 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.6 tp -150.73 118.07 6.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.468 ' N ' HD12 ' A' ' 124' ' ' LEU . 24.6 t -90.72 121.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.293 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.692 ' HB ' HG12 ' A' ' 92' ' ' VAL . 58.9 t -115.7 123.99 71.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.705 -176.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.35 106.36 2.09 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -99.51 142.46 30.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.597 ' HD3' ' C4 ' ' A' ' 500' ' ' GNP . 59.0 tptt 66.11 63.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.435 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 m -77.51 -4.79 47.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.815 0.817 . . . . 0.0 108.966 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' A' ' 129' ' ' LYS . 32.5 t70 -76.53 66.72 2.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.728 -177.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -168.07 -52.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.304 176.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 132' ' ' LEU . 38.0 tt0 64.95 -67.23 0.12 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.849 0.86 . . . . 0.0 112.835 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.884 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.5 pt-20 -56.84 -34.68 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.884 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 87.6 mtt180 -95.79 19.0 11.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -170.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.677 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -70.36 114.42 8.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.719 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.68 -20.26 26.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.45 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.5 p -118.58 118.23 33.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.885 0.374 . . . . 0.0 110.788 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 34.3 Cg_exo -60.56 128.33 25.58 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.639 2.226 . . . . 0.0 112.709 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.0 OUTLIER -56.82 -27.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.247 177.578 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.35 -39.83 73.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.627 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.98 -19.77 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.736 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -67.94 -44.77 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.04 -33.49 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.1 0.476 . . . . 0.0 109.718 176.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.9 t -57.48 -49.53 75.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.858 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 25.6 mmtp -59.97 -41.27 91.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.655 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.31 98.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 0.0 110.511 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.17 -29.52 66.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.27 -40.27 95.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -82.97 -12.89 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.616 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 22.91 48.81 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.272 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.3 m -110.89 167.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 111.108 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.684 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -91.78 156.14 17.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.42 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -120.56 121.82 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.6 135.61 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.469 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.68 121.48 28.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.647 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -132.0 129.77 40.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.465 ' HA ' ' O6 ' ' A' ' 500' ' ' GNP . 69.7 m -136.53 130.56 32.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.962 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.571 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -84.4 8.41 16.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.038 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.568 ' HB2' HN21 ' A' ' 500' ' ' GNP . 27.1 tptp -88.59 -20.1 25.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.835 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -0.15 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.678 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 162' ' ' ARG . 36.3 mtp-105 59.68 36.35 22.43 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.26 131.93 52.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 65.95 9.61 6.28 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.745 0.818 . . . . 0.0 112.437 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.51 -52.79 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.908 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.68 -31.88 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.096 0.474 . . . . 0.0 110.57 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -58.31 -52.54 65.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.389 -173.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.68 -29.45 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.26 -45.18 41.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.5 ' CD1' HD21 ' A' ' 57' ' ' LEU . 19.4 m-85 -67.55 -45.66 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.554 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.49 -50.87 68.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.3 tp -61.76 -44.33 97.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.578 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.0 mtm -63.96 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.943 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 12.3 mmm180 -67.65 -39.85 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.506 0.193 . . . . 0.0 110.957 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.38 -30.82 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 173' ' ' MET . 66.5 mt -56.94 -29.57 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.389 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.8 m -69.11 -30.0 68.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.385 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.711 ' HG2' ' HG3' ' A' ' 122' ' ' PRO . 14.4 mptt -66.78 -57.45 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.626 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -74.92 -23.99 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -172.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm -86.58 -11.62 50.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.044 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.7 m 61.3 -167.6 0.19 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.906 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.589 ' HB3' ' HE2' ' A' ' 185' ' ' LYS . 45.1 mt-10 -82.3 77.61 9.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.0 0.429 . . . . 0.0 110.739 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.06 69.83 9.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.939 0.876 . . . . 0.0 109.686 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 183' ' ' GLU . 40.1 mtmt . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.259 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 11.1 m -73.41 -19.68 60.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.72 139.11 57.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.104 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.425 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.5 m 74.42 -48.11 0.65 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -61.24 -33.49 73.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.565 0.221 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.15 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.46 93.35 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.784 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.448 HG21 ' HA ' ' B' ' 443' ' ' LEU . 32.7 mm -54.49 -47.49 70.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 0.0 110.306 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 97.6 mttt -60.57 -45.52 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.525 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.25 -34.79 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.724 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.08 -45.85 72.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' B' ' 439' ' ' LEU . 88.4 mt -53.25 -52.63 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.648 175.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 68.1 mtp180 -62.88 -34.09 76.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.763 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.9 -46.59 88.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.511 ' OE1' HG23 ' B' ' 432' ' ' VAL . 75.6 mm-40 -75.25 -32.21 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.711 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.48 -43.25 93.31 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.63 -51.38 69.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.971 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 432' ' ' VAL . 70.4 mt -58.74 -47.5 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.222 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -69.76 -45.79 67.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.466 . . . . 0.0 110.696 -176.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -56.35 -47.2 79.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.573 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 12.2 t -60.57 -53.86 52.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.744 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 62.3 mt -53.93 -42.11 68.46 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.0 m170 -65.61 -41.08 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.65 -43.24 26.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.6 -54.27 25.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.605 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.65 ' HG ' ' HD3' ' B' ' 425' ' ' LYS . 1.5 mp -62.35 -26.77 68.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.723 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.9 tt0 -66.14 -13.86 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.81 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.29 11.41 50.26 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.476 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.53 33.95 17.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.04 116.5 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 29.0 mtmm -123.4 144.2 49.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.731 0.777 . . . . 0.0 112.054 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 22.5 t70 -147.65 159.11 44.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.221 -1.354 . . . . 0.0 107.475 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.253 0.549 . . . . 0.0 110.282 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -65.44 -42.03 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.39 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.65 ' HD3' ' HG ' ' B' ' 416' ' ' LEU . 0.3 OUTLIER -71.42 -37.07 71.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.387 -170.505 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.3 pt-20 -73.75 -35.65 65.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.212 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.28 -39.73 68.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.998 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.632 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.9 mmt180 -65.07 -35.91 82.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 174.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 416' ' ' LEU . 6.1 mt -55.72 -57.41 12.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.389 0.43 . . . . 0.0 111.388 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 51.6 m95 -63.92 -31.85 73.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.025 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.442 ' O ' HG13 ' B' ' 435' ' ' ILE . 39.0 tt0 -68.15 -56.55 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.722 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.1 p -62.77 -34.59 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.192 0.52 . . . . 0.0 109.837 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.43 -51.21 69.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.142 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.58 -26.28 63.45 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.577 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 40.3 mt -72.87 -45.66 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.07 -46.2 82.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -70.5 -35.45 73.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.637 0.256 . . . . 0.0 111.042 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.34 79.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.601 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.3 mp -64.86 -37.86 89.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.136 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -61.8 -39.13 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.345 0.593 . . . . 0.0 109.637 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.15 -44.96 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.372 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.61 -31.21 71.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.57 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' B' ' 398' ' ' ILE . 52.9 tp -62.59 -43.1 99.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.035 0.445 . . . . 0.0 110.077 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -82.09 -7.27 59.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.42 -35.18 25.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.918 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.875 179.615 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.597 ' C4 ' ' HD3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.9 83.51 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.6 m -151.1 132.9 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.416 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.9 m 64.31 18.97 11.6 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.58 0.55 . . . . 0.0 111.403 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -96.11 -13.31 23.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.172 -175.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -97.85 11.08 38.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -133.15 126.56 31.95 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 57.1 m-70 -136.92 152.7 50.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 111.376 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 6.5 mmpt? -122.07 106.37 11.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.817 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.13 115.55 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.503 . . . . 0.0 110.767 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.23 131.02 64.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.331 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.2 ttm -93.51 114.79 27.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.32 155.66 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.61 -174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.11 -168.7 41.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 12.2 t -115.64 146.6 41.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.55 -113.19 1.65 Allowed Glycine 0 C--N 1.333 0.394 0 O-C-N 123.683 0.614 . . . . 0.0 112.731 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.73 52.54 0.77 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.078 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' SER . 38.4 t -82.04 65.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.969 0.89 . . . . 0.0 110.293 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.23 45.25 62.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.296 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 19.8 pttp -131.36 70.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.862 0.839 . . . . 0.0 110.69 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.54 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.615 172.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.55 -41.05 69.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.901 -177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 HD21 ' A' ' 128' ' ' ASN . 8.0 mp -63.27 -30.99 72.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.636 -173.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.4 p -69.71 -43.03 73.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.007 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -37.0 83.48 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.812 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 90.1 mt-30 -64.13 -33.59 76.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.342 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -71.18 -37.24 72.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.644 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.6 mtt -78.02 -54.28 6.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.375 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -143.81 -61.76 0.4 Allowed 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.873 1.321 . . . . 0.0 110.631 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 1.3 t70 -88.91 -162.37 0.85 Allowed 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 111.898 -2.41 . . . . 0.0 112.097 -149.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -131.15 -165.24 1.54 Allowed 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.806 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -74.24 106.41 5.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.206 0.527 . . . . 0.0 109.796 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -78.59 157.65 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.138 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.0 -11.82 24.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.25 125.36 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.525 174.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -175.83 121.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 1.037 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.7 mm-40 -134.6 -36.97 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 1.037 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -45.94 98.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.854 2.369 . . . . 0.0 113.081 174.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -158.37 42.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.096 177.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -85.37 -50.81 7.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.883 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.13 20.8 8.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.459 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.5 m-20 -94.15 94.33 8.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.469 -171.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t -105.71 151.54 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.595 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 0.3 OUTLIER -140.2 125.26 18.55 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.747 -178.611 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 41.3 ttp180 -91.77 113.79 26.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.019 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.32 138.72 35.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.162 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -97.68 118.51 34.37 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 172.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.5 142.01 44.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 2.6 p -92.49 102.7 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.845 0.831 . . . . 0.0 109.536 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.27 99.37 11.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.018 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 61.98 12.26 4.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.412 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.89 -33.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.936 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.4 pt-20 -105.94 140.82 38.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.595 0.697 . . . . 0.0 110.75 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -76.81 111.28 12.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.26 0.552 . . . . 0.0 109.628 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 13' ' ' ALA . 10.8 t -107.09 155.83 7.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.394 -170.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -112.35 117.01 31.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -123.93 112.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.391 0.615 . . . . 0.0 110.44 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 17.4 t70 -98.02 121.19 39.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.763 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.44 114.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.448 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.84 130.2 46.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.497 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -95.18 120.2 35.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 140.94 36.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.095 0.474 . . . . 0.0 111.589 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.94 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.206 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 56.65 2.4 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.92 158.38 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.659 0.266 . . . . 0.0 110.82 -178.143 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.15 -24.11 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.705 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD13 ' A' ' 72' ' ' LEU . 16.3 m-20 -57.26 -64.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 111.238 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -84.35 65.03 8.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.434 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -64.94 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.547 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.485 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -63.26 -19.97 65.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.352 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.475 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 27.8 mt -94.64 -30.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -177.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -92.14 -66.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.768 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -40.36 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 111.179 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.485 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 13.7 m120 -76.55 -22.71 53.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.895 -174.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 23.8 m-85 -89.97 -35.87 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 18.7 m-30 -56.53 -27.38 57.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 HH12 ' CD ' ' A' ' 117' ' ' GLU . 21.1 mmm180 -47.25 -67.98 0.23 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.9 m -84.92 29.61 0.62 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.006 0.431 . . . . 0.0 111.444 -178.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.63 -172.27 47.53 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.277 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 31.7 tt0 -148.36 -76.28 0.17 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.769 0.427 . . . . 0.0 110.129 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 148.62 16.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.875 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.87 133.39 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -99.46 114.66 27.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.322 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 HG22 ' A' ' 125' ' ' VAL . 65.7 tp -97.99 107.16 19.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.037 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.1 m -104.73 136.77 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.099 0.475 . . . . 0.0 111.803 -176.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -144.98 163.74 33.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.727 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 p -111.12 146.27 37.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.255 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.737 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.48 -0.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.773 0.321 . . . . 0.0 111.57 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.512 HG23 HD13 ' A' ' 132' ' ' LEU . 2.0 p -90.27 -53.37 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 110.699 174.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.9 95.67 5.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.792 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -64.13 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.147 178.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.208 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -68.49 -27.27 65.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.721 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -68.34 -45.65 72.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -68.6 -28.78 67.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.272 0.558 . . . . 0.0 110.794 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.46 62.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.248 -177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 38.9 p -54.47 -39.5 67.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 111.871 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.05 92.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.693 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.77 -45.39 94.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.578 ' HZ ' ' HB2' ' A' ' 22' ' ' SER . 22.1 m-85 -63.28 -49.34 74.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.139 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -55.39 -54.82 38.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 42.7 mt-10 -61.53 -38.63 88.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.234 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 24.0 tp60 -59.01 -38.76 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.086 0.47 . . . . 0.0 110.5 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.01 -44.37 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.191 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.1 -25.96 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.679 0.276 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 61.5 mtp180 -64.73 -29.31 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.338 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.6 m -102.73 -19.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.363 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.612 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 40.2 mttm -104.83 -112.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.832 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.03 -24.39 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.228 1.011 . . . . 0.0 113.662 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.462 ' CD ' HH12 ' A' ' 84' ' ' ARG . 12.3 pt-20 -88.56 12.21 15.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.612 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 8.3 pt-20 -122.9 -167.15 1.54 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.187 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -84.39 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 30.7 mmtp -141.92 129.93 21.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.864 -0.522 . . . . 0.0 111.539 -172.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.2 mt -102.35 104.9 40.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.623 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 6.4 Cg_endo -87.4 114.76 1.03 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.249 2.633 . . . . 0.0 112.522 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.37 121.98 45.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.476 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.8 tp -105.41 112.97 26.27 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.463 HG22 HD23 ' A' ' 91' ' ' LEU . 4.7 t -85.1 118.5 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 0.0 109.845 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' A' ' 92' ' ' VAL . 28.6 t -112.26 127.88 69.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.889 -174.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.31 113.78 3.81 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.417 HD21 HD11 ' A' ' 30' ' ' LEU . 9.7 t-20 -109.21 164.78 12.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.857 0.329 . . . . 0.0 110.537 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 mmmp? 63.58 63.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.052 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.0 m -87.52 11.01 15.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.398 0.618 . . . . 0.0 110.204 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.54 -2.65 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -102.0 -61.18 1.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.327 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 67.42 -65.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.736 0.814 . . . . 0.0 111.542 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.95 -26.95 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.615 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.428 ' HB2' HD13 ' A' ' 132' ' ' LEU . 59.7 mtp180 -86.76 19.32 2.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.678 -174.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -67.01 113.69 5.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.57 0.224 . . . . 0.0 110.411 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -102.53 -10.34 19.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 110.906 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 4.2 p -125.51 120.05 24.68 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.688 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.631 ' HB2' ' HG2' ' A' ' 141' ' ' GLU . 19.0 Cg_endo -59.82 119.23 6.33 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.214 1.943 . . . . 0.0 110.824 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.44 -11.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.956 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.7 pt-20 -59.69 -43.85 93.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 13.7 pt-20 -77.88 -24.74 48.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.041 0.448 . . . . 0.0 110.155 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.22 91.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -62.33 -41.76 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.121 173.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.0 t -55.93 -43.55 77.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.845 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.69 -44.33 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.2 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.204 0.526 . . . . 0.0 110.309 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.76 -35.47 80.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.405 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.5 -40.68 95.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.937 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.78 -13.1 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.527 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.44 25.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.301 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.87 -176.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 122.042 0.137 . . . . 0.0 110.917 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.438 ' CG ' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -106.4 153.38 22.33 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -121.34 126.84 50.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.879 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.5 130.88 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.874 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.66 134.95 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 164' ' ' ASN . 61.7 p -133.88 170.02 16.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.5 . . . . 0.0 111.541 -176.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.1 t -155.29 124.48 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.44 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.77 -26.0 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.528 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -76.69 -45.96 27.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.998 0.427 . . . . 0.0 110.125 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -14.87 47.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.694 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 60.16 80.96 0.19 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.274 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.05 126.91 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 94.9 m-20 65.25 7.75 4.41 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.515 0.726 . . . . 0.0 112.455 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -38.49 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.098 0.475 . . . . 0.0 110.684 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.46 -31.81 58.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.373 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.54 -47.63 84.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.79 -28.79 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -75.06 -52.16 11.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.433 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.7 m-85 -63.94 -46.99 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -42.81 93.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.826 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 176' ' ' ILE . 53.3 tp -60.56 -42.99 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 109.966 177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.544 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.8 mtm -60.26 -30.11 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.077 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 9.9 mmm180 -74.87 -41.78 59.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.411 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.4 mt-10 -59.98 -38.62 83.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.371 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.0 mt -57.77 -42.69 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.498 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 173' ' ' MET . 63.4 mtt-85 -63.33 -43.77 96.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.37 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.2 m -61.47 -38.84 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.1 mptt -65.06 -46.6 80.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.629 176.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -67.78 -40.09 84.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.301 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.0 mtm -73.31 -23.12 60.22 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.184 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.2 m 68.64 167.84 0.27 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.594 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 53.26 84.0 0.06 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.1 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -117.37 32.5 6.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.616 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.351 -178.12 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 7.1 p -151.32 -20.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.405 . . . . 0.0 110.828 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 1.3 mp0 -52.15 -65.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.391 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.52 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.0 t -83.04 -18.61 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.481 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -53.64 -35.6 61.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.136 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.95 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.904 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.416 ' HA2' ' OE1' ' B' ' 400' ' ' GLU . . . -69.67 -33.93 72.1 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.589 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.52 HG12 ' O ' ' B' ' 394' ' ' THR . 30.7 mm -56.64 -47.92 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.027 0.441 . . . . 0.0 110.023 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.11 -38.66 87.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.13 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.416 ' OE1' ' HA2' ' B' ' 397' ' ' GLY . 47.4 mt-10 -60.03 -48.81 80.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.678 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 20.5 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.505 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' B' ' 443' ' ' LEU . 93.2 mt -59.23 -50.53 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.531 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 25.5 mmm180 -62.12 -31.26 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.248 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.87 -44.62 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.359 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.51 ' HB2' HD13 ' B' ' 436' ' ' LEU . 32.9 mm-40 -68.7 -35.55 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.531 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 44.3 mt-10 -60.53 -41.8 95.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.098 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.41 -47.38 86.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.94 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.9 mt -60.64 -51.2 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.713 HD22 HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -59.32 -39.44 83.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.976 178.65 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -64.56 -44.71 89.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.068 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.6 t -59.69 -54.02 51.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.516 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -55.72 -42.75 75.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.805 0.336 . . . . 0.0 111.096 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.4 m170 -64.77 -39.21 93.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -77.48 -45.76 24.6 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.29 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.54 -55.11 22.65 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.29 0.567 . . . . 0.0 111.643 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.438 HD11 HD12 ' B' ' 412' ' ' LEU . 67.1 mt -65.97 -24.58 66.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.778 -175.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 38.5 tt0 -59.22 -21.57 59.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.67 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.33 -7.16 86.92 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.925 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.46 17.66 13.22 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.247 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 51.7 mt -87.47 132.85 31.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -139.52 143.37 37.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.994 0.902 . . . . 0.0 112.762 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.702 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.5 t70 -149.54 171.36 16.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 7.8 mp -72.19 -31.16 65.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.725 0.774 . . . . 0.0 109.779 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -34.64 78.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.251 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.8 pptp? -69.92 -37.38 75.93 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.588 -172.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.588 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.2 pt-20 -72.87 -41.76 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.18 -42.28 76.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.71 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.0 mmt180 -61.5 -44.47 97.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.845 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 433' ' ' GLN . 8.1 mt -55.38 -52.51 63.3 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.468 0.48 . . . . 0.0 111.543 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.734 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 87.3 m95 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.604 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.696 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 9.5 tp10 -65.03 -56.02 15.53 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.014 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.713 HG13 HD22 ' B' ' 409' ' ' LEU . 3.5 p -62.67 -32.95 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.461 0.648 . . . . 0.0 109.852 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.2 tp60 -55.77 -53.48 56.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.43 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.734 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.7 OUTLIER -71.45 -26.13 62.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.092 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 58.9 mt -68.32 -52.62 35.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' B' ' 405' ' ' GLN . 31.0 tp -58.42 -38.62 77.81 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 13.3 t -71.98 -40.28 68.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.209 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.7 73.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.412 ' HG ' HG12 ' B' ' 402' ' ' ILE . 26.9 tp -66.11 -33.69 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.753 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.54 -41.95 95.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 110.171 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.95 -45.26 93.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.218 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.37 -31.8 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.479 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' B' ' 402' ' ' ILE . 47.8 tp -66.45 -44.06 83.85 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.437 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -80.4 -1.74 42.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.86 -43.01 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.83 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.635 -175.635 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.441 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 503' ' ' HOH . . . . . 0.594 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -73.1 -17.17 61.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.695 0.247 . . . . 0.0 110.599 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m 61.4 -169.46 0.17 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.282 177.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t 70.57 15.97 7.03 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.743 0.783 . . . . 0.0 109.863 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.35 9.3 5.59 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -114.4 17.83 17.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.14 -170.174 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD21 HH22 ' B' ' 434' ' ' ARG . 39.2 tp -128.69 120.42 26.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.581 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -136.47 151.4 49.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -174.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.728 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -119.41 120.91 38.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.284 173.51 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.78 123.71 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' HE1' ' A' ' 83' ' ' PHE . 68.9 mt -104.84 127.47 59.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.678 -178.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.9 tpp -87.39 107.97 18.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.712 -178.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.2 126.81 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.432 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -173.03 24.11 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.078 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.805 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 23.2 t -94.6 -12.05 28.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.606 0.717 . . . . 0.0 110.041 -175.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.77 -73.35 0.39 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.49 -178.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 8.62 9.66 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.955 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.75 -8.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 122.665 -0.314 . . . . 0.0 110.922 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.64 90.81 0.18 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.761 -177.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -138.58 -77.71 0.36 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.794 0.331 . . . . 0.0 110.769 175.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 18.1 m -68.99 -40.74 78.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -175.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.54 88.12 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.6 mt -62.28 -49.85 74.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 111.175 -178.362 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.588 HG21 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -72.16 -33.74 67.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.959 -175.124 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 28' ' ' SER . 97.0 mt -61.47 -40.06 93.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.352 -0.139 . . . . 0.0 111.017 177.28 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -60.2 -44.66 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.343 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.8 -34.08 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.924 -175.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.482 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 45.8 mtm -96.59 -49.67 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -173.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -90.07 -8.08 52.3 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 67.61 13.71 9.34 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.911 0.757 . . . . 0.0 111.809 176.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -132.77 161.85 33.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.787 -177.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -85.02 133.45 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 32' ' ' LEU . 3.2 p -55.71 112.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.573 0.701 . . . . 0.0 112.395 -173.411 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.88 -60.85 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.015 173.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -135.52 100.62 4.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -164.04 109.07 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.595 174.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.708 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 36.3 mt-10 -101.9 -63.76 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.567 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 86.2 Cg_exo -45.31 -79.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 123.439 2.759 . . . . 0.0 115.023 -164.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.9 41.04 26.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.803 0.335 . . . . 0.0 111.077 -173.024 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -86.55 -58.18 2.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -178.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.52 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.09 135.66 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.211 0.529 . . . . 0.0 111.455 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 p -131.94 -173.07 3.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.206 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 35' ' ' MET . 85.4 t80 -131.92 128.49 38.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.13 0.49 . . . . 0.0 111.156 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 25.7 ttt180 -77.09 105.37 8.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.331 175.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -109.0 140.53 42.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.232 -175.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 24.7 ttmt -114.61 130.73 56.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 173.441 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.53 154.79 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.42 137.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.857 176.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -133.63 99.11 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.77 78.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.998 0.811 . . . . 0.0 111.548 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.12 -127.61 2.53 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.58 174.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.59 157.08 18.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 63.5 mt-10 -56.79 125.59 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 111.054 -175.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' HA ' ' A' ' 13' ' ' ALA . 21.9 t -107.37 145.13 15.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.044 -175.383 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -112.97 122.02 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.029 0.442 . . . . 0.0 110.167 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.7 tt -109.27 114.87 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.654 0.74 . . . . 0.0 110.177 178.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.728 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 25.7 t0 -87.87 113.1 23.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.007 -177.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 HG21 ' A' ' 31' ' ' THR . 24.4 mm -108.51 135.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 0.0 112.339 -169.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.6 tp -131.5 123.7 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.122 171.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -98.74 82.09 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 79' ' ' ARG . 24.6 m -60.94 142.32 56.53 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.249 -170.059 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.0 120.38 22.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.947 173.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 65.84 3.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.533 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -147.66 160.58 42.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.596 0.236 . . . . 0.0 110.773 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -92.21 -7.54 47.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.7 m-20 -57.97 -75.57 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.75 0.786 . . . . 0.0 110.414 175.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.528 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.8 m-85 -84.07 68.04 9.91 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.618 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.18 -23.68 62.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.532 177.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -66.77 -6.99 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.291 177.505 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.0 mt -107.96 -35.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.196 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HA ' HG21 ' A' ' 69' ' ' THR . 53.2 ttt180 -85.56 -64.94 1.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.0 -55.0 7.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.691 -173.296 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.602 ' CG ' ' HA ' ' A' ' 77' ' ' ALA . 1.5 m-20 -59.91 -24.47 64.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.253 -173.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.5 m-85 -90.41 -18.47 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.319 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 11.3 m-30 -72.94 1.23 9.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.569 HH11 ' HB ' ' A' ' 114' ' ' VAL . 29.9 mmt-85 -70.77 -62.41 1.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.227 0.537 . . . . 0.0 110.64 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -92.52 11.01 27.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.407 -174.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.05 122.56 5.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.496 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 38.7 mt-10 -86.36 -74.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.0 110.56 -178.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 128.74 9.3 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.385 -174.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 87.1 m-85 -115.36 117.33 30.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.989 0.423 . . . . 0.0 111.02 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.67 114.19 25.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.674 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.81 105.12 17.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG22 ' HB ' ' A' ' 126' ' ' VAL . 37.2 t -108.83 127.76 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.371 0.605 . . . . 0.0 111.782 -176.656 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -133.51 175.43 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.212 175.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t -129.72 143.08 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.688 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.9 -3.65 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.049 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.409 ' CG2' HD22 ' A' ' 132' ' ' LEU . 4.0 p -88.75 -15.11 35.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 110.904 175.016 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.99 102.56 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.252 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -63.49 -18.37 63.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.125 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.76 -52.99 24.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.487 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 2.0 p -61.47 -36.75 81.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HE1' ' HA ' ' A' ' 143' ' ' ALA . 62.8 t80 -58.5 -40.56 83.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.345 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 m -75.07 -36.08 61.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.863 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.52 -15.81 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.287 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.3 p -54.05 -39.14 65.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 110.952 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.79 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.361 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.45 -46.06 84.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.1 m-85 -58.67 -47.55 84.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.238 176.706 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 111' ' ' ILE . 54.5 ttt180 -56.29 -50.3 71.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -59.28 -40.09 85.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.561 -178.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 114' ' ' VAL . 6.2 tp60 -62.48 -36.27 81.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.262 -179.537 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.0 mt -62.1 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.77 -35.68 70.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.254 178.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -58.47 -39.72 80.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.634 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.1 m -90.6 -5.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.947 -175.29 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.1 mtmt -134.48 -108.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -178.397 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.66 4.69 1.92 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.461 0.704 . . . . 0.0 112.328 -174.174 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -113.42 -0.64 14.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.69 -179.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.68 -159.14 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.514 -174.128 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -78.12 -67.23 0.75 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 -176.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.554 ' HG2' ' HE3' ' A' ' 179' ' ' LYS . 49.4 tptt -163.62 111.82 1.21 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.423 HD13 HG22 ' A' ' 111' ' ' ILE . 67.5 mt -72.33 113.39 20.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.8 Cg_endo -91.54 127.5 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.476 2.784 . . . . 0.0 111.986 176.048 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 81.7 mt -119.92 139.46 52.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 -178.229 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.855 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.9 tp -141.84 122.42 14.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.273 177.077 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.695 HG13 ' HD1' ' A' ' 154' ' ' TYR . 14.8 p -102.32 129.23 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.711 0.767 . . . . 0.0 110.486 -178.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.2 t -118.38 131.28 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 -173.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 92.16 1.13 Allowed Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 175.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.402 ' OD1' HD21 ' A' ' 30' ' ' LEU . 8.4 t30 -86.36 150.77 24.09 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.655 -0.32 . . . . 0.0 110.965 -173.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 71.11 72.91 0.19 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.385 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -89.86 3.68 52.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 172.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.16 62.43 0.92 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.81 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 134' ' ' GLU . 0.7 OUTLIER -161.94 -54.09 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.411 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 12.9 pt-20 50.88 -59.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.871 1.668 . . . . 0.0 114.556 -176.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 9.5 pt-20 -58.99 -24.36 62.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.112 0.565 . . . . 0.0 111.995 -178.175 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.0 mtt180 -110.95 27.14 9.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.476 -171.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.0 ttp180 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -82.35 -35.71 27.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 -175.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.98 126.46 27.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.478 -178.334 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.719 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 57.5 Cg_exo -53.18 122.6 11.46 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 111.927 177.444 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -75.51 -17.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -174.92 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.21 -40.35 86.43 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.986 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.719 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.5 pt-20 -80.92 -19.63 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.971 177.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -66.57 -39.34 88.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.046 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 71.6 mtp180 -62.11 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.061 173.361 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 9.3 t -64.66 -25.11 67.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.943 -178.411 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 -54.4 38.95 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.056 0.455 . . . . 0.0 110.223 174.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.92 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.294 176.421 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 37.0 tt0 -58.62 -36.85 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.429 177.059 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -80.98 -39.13 26.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 110.721 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.484 ' HB2' HG22 ' A' ' 152' ' ' VAL . 51.5 m0 -73.03 -17.12 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.093 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.24 72.23 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.891 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 150' ' ' TRP . 30.0 m -110.53 -174.75 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 -177.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.855 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -106.49 150.73 25.81 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.538 179.002 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.695 ' HD1' HG13 ' A' ' 125' ' ' VAL . 43.0 t80 -121.43 120.12 34.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.411 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.16 121.56 57.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.62 143.69 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 174.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -140.12 167.98 20.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.274 0.559 . . . . 0.0 111.45 -172.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -135.92 116.37 13.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.692 174.777 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -77.09 -4.64 45.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 110.768 -179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 27.3 tptp -77.27 -44.99 27.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.188 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 163' ' ' ALA . 9.0 t -111.37 11.15 21.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.653 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.79 31.19 20.06 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.876 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 161' ' ' THR . . . -69.16 101.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.399 -175.571 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 61.93 21.23 12.15 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.841 0.713 . . . . 0.0 112.117 177.032 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 168' ' ' VAL . 75.5 t -68.29 -45.94 81.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.73 -33.73 76.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.21 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.79 -49.35 75.59 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.469 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.6 m -57.31 -30.15 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.437 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.93 -46.53 35.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 177.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 32.1 m-85 -65.16 -51.51 60.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.61 -47.56 79.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 50.0 tp -60.74 -45.54 93.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.518 -179.318 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.98 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.464 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.4 OUTLIER -66.04 -41.29 91.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.272 -0.171 . . . . 0.0 111.247 179.271 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.577 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 20.7 mt-10 -66.87 -35.91 81.1 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.632 176.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.6 mt -64.31 -28.77 45.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.562 177.388 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 181' ' ' MET . 40.4 mtt180 -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.69 176.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 20.5 m -61.42 -32.11 72.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 179.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 11.3 mptt -59.8 -46.79 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 175.299 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.79 -39.19 76.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.492 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.7 mtt -63.39 -36.27 83.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.664 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.7 m 69.61 144.78 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.18 0.925 . . . . 0.0 111.32 -176.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 65.68 175.46 0.22 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.785 -178.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 61.3 26.31 16.16 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.483 0.659 . . . . 0.0 110.049 -173.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.247 0.928 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.753 -175.809 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 18.2 m -75.52 170.49 16.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.732 0.266 . . . . 0.0 111.037 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 1.6 mp0 -52.66 -46.18 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -177.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 35.3 m -66.98 -38.88 86.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 178.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 36.7 mt-30 -65.31 -31.31 72.38 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.744 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.2 69.9 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.48 -37.45 93.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.704 177.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.545 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -61.03 -51.87 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 177.707 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 7.5 mtpm? -58.51 -43.71 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.519 -176.504 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.33 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.87 -37.59 79.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' B' ' 439' ' ' LEU . 81.5 mt -53.77 -52.81 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.582 173.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -58.94 -34.95 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 42.7 ttt180 -61.96 -47.3 85.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' B' ' 436' ' ' LEU . 79.4 mm-40 -72.58 -30.81 64.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -178.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.431 ' CG ' HD21 ' B' ' 436' ' ' LEU . 45.5 mt-10 -63.47 -43.99 95.73 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.082 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -61.62 -49.64 75.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 176.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -59.69 -51.73 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.194 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.63 HD13 HG13 ' B' ' 432' ' ' VAL . 64.4 tp -65.52 -33.23 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.732 -179.351 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -61.6 -43.77 98.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.615 177.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -53.67 55.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.471 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -55.54 -35.07 65.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 177.361 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.616 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 18.9 m170 -69.22 -39.41 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.649 177.374 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -77.53 -53.08 8.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.72 -56.43 21.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 111.661 -174.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.5 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 80.2 mt -64.33 -26.76 68.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.355 -176.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 46.4 tt0 -61.12 -29.2 69.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.139 -178.572 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -128.06 21.52 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 157.15 111.73 0.34 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.045 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 416' ' ' LEU . 29.1 mm -79.79 124.8 38.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 O-C-N 122.498 -0.413 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -75.21 -52.06 11.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.113 0.958 . . . . 0.0 109.327 173.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 13.8 m-20 -148.2 151.25 35.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.443 -176.401 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.64 -25.29 67.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.171 0.51 . . . . 0.0 110.086 170.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.576 ' HA ' ' OE2' ' B' ' 427' ' ' GLU . 50.1 m -61.37 -29.94 70.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 176.27 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 69.9 mmtt -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.725 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 43.8 mt-10 -67.51 -39.13 85.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.55 0.69 . . . . 0.0 109.383 176.11 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' B' ' 424' ' ' SER . 34.5 mt-10 -59.74 -47.15 86.81 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.637 ' O ' HG12 ' B' ' 432' ' ' VAL . 47.6 mmt-85 -61.76 -31.86 72.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.448 178.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 7.0 mt -55.26 -56.34 21.08 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 123.35 0.406 . . . . 0.0 110.413 177.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -60.23 -37.45 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.571 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 60.7 mm-40 -68.7 -54.93 13.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.637 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.3 p -65.18 -33.15 61.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.475 . . . . 0.0 110.496 -179.124 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' B' ' 409' ' ' LEU . 28.2 tp60 -55.58 -53.78 52.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.17 177.039 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 2.8 ptm180 -66.98 -27.4 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.526 -177.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.5 mt -74.32 -43.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -57.41 -45.59 84.41 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.842 178.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -72.79 -32.24 65.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.699 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.94 -38.78 92.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 175.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.904 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -64.98 -48.18 74.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.274 -178.716 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.23 -28.53 69.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.428 0.633 . . . . 0.0 109.973 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -67.29 -42.31 83.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.904 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.5 mtpt -58.52 -36.19 73.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.665 175.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.26 -38.38 83.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.506 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.53 -18.61 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.454 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.13 -38.77 24.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.726 0.298 . . . . 0.0 111.22 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.915 -177.76 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' N2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -108.97 -97.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -177.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 p -101.55 28.99 5.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -176.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t 57.98 76.22 0.34 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.474 0.655 . . . . 0.0 110.539 -177.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.43 6.54 17.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 110.196 179.133 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.05 0.94 54.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.658 0.742 . . . . 0.0 110.11 176.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 tp -127.56 106.03 8.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.733 -1.122 . . . . 0.0 109.205 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -101.77 153.65 19.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.196 0.522 . . . . 0.0 111.422 -176.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.3 tpmt? -124.6 103.85 8.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.768 179.545 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' HB ' HD13 ' A' ' 66' ' ' ILE . 64.9 t -115.45 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.518 0.675 . . . . 0.0 110.767 -173.495 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.92 119.93 53.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.54 -177.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 49.2 mtt -87.44 120.3 28.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.006 177.422 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.542 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 27.1 m -99.79 149.21 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.75 149.93 7.27 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -56.15 -62.74 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.269 0.557 . . . . 0.0 110.721 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.62 -75.29 0.68 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.718 178.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.869 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . -174.64 61.61 0.12 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG11 ' C ' ' A' ' 93' ' ' PHE . 24.3 t -58.91 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.234 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.67 5.77 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.193 178.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 10.3 pttt -84.72 45.16 1.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.657 0.741 . . . . 0.0 110.636 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 73.3 m -152.68 -54.26 0.12 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.798 173.228 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.76 71.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 111.313 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.3 mt -65.8 -44.22 86.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.821 -178.311 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.561 HG21 ' HE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.75 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.3 -44.08 97.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.427 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -59.23 -46.33 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.916 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.23 -7.65 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.104 0.478 . . . . 0.0 111.91 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -109.26 -53.45 2.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.721 -0.612 . . . . 0.0 111.654 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.04 -12.52 19.64 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.341 0.401 . . . . 0.0 111.949 -172.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.7 18.31 11.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.456 0.646 . . . . 0.0 110.368 -173.062 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -128.71 154.75 46.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.587 -178.092 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -79.2 145.63 33.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 130.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.235 0.54 . . . . 0.0 111.211 -177.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.16 -69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.436 178.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.13 104.98 5.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.784 178.696 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -168.14 116.17 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.409 -175.18 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.921 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -117.96 -46.79 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.1 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.921 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 2.8 Cg_endo -46.06 127.48 10.65 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.492 2.128 . . . . 0.0 112.62 179.065 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -154.2 -27.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.462 177.799 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.704 ' HE2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -53.42 -55.87 21.56 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -171.828 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.32 -24.43 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.076 0.465 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.6 76.89 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 48.3 m -91.13 171.34 9.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.844 -179.587 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HE1' HG21 ' A' ' 31' ' ' THR . 1.0 OUTLIER -135.92 131.87 35.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.372 0.606 . . . . 0.0 112.122 -171.468 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -102.76 121.56 42.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.034 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -98.56 137.36 37.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.224 -179.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -107.82 125.56 51.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.145 173.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.06 146.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.61 118.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.18 0.514 . . . . 0.0 110.107 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -105.88 99.23 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.567 -176.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.17 16.52 8.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.996 173.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.42 -57.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.234 -1.46 . . . . 0.0 114.686 175.164 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.85 141.37 28.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.391 0.596 . . . . 0.0 111.788 -173.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.94 115.55 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.735 177.171 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.35 144.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.08 -177.29 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -113.31 134.87 54.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.305 0.574 . . . . 0.0 111.052 -174.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' SD ' ' A' ' 173' ' ' MET . 11.8 tt -135.11 120.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.911 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.5 131.87 53.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.359 -176.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 ' HB ' ' A' ' 17' ' ' VAL . 40.3 mm -114.41 126.91 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -173.509 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 82' ' ' TYR . 15.8 tp -112.93 147.27 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 7.3 t70 -105.69 116.93 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.867 176.747 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 20' ' ' VAL . 21.0 p -87.28 179.46 6.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 111.906 -178.186 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 47' ' ' LYS . . . -130.15 130.04 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.397 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.54 61.56 4.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.424 -178.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -160.08 170.81 20.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.353 0.261 . . . . 0.0 110.323 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -89.3 -13.2 38.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -65.66 -62.68 1.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.486 . . . . 0.0 111.302 -177.049 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 48.2 m-85 -82.53 62.0 5.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.178 -177.499 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.28 -26.38 68.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.504 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.9 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -77.66 -7.47 56.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.731 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.622 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 5.4 mt -106.76 -32.9 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.333 179.152 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -92.1 -66.41 0.93 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.62 -54.5 7.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.692 . . . . 0.0 111.248 -172.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.9 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 83.2 m-20 -65.64 -17.73 64.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.69 -172.404 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.622 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -91.78 -30.79 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.681 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -56.99 -27.84 61.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.986 0.422 . . . . 0.0 111.974 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.768 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.631 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 24.0 m -86.34 21.68 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.134 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.525 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.8 151.7 20.06 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.683 178.313 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -122.53 -39.0 2.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.572 0.186 . . . . 0.0 111.071 178.756 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 135.0 12.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.12 176.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.27 129.56 45.08 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 122.504 -0.409 . . . . 0.0 111.289 -178.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -115.86 123.34 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 104' ' ' THR . 10.1 mp -97.4 108.66 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.631 176.562 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.36 114.77 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 0.0 110.897 -178.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' C ' HG11 ' A' ' 25' ' ' VAL . 5.0 p90 -132.53 175.32 9.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.99 179.129 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -119.98 145.74 46.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.675 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.6 14.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.318 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.489 HG21 HD13 ' A' ' 132' ' ' LEU . 6.0 p -108.66 -28.01 9.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 0.0 111.438 175.017 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -102.42 113.28 26.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.143 0.496 . . . . 0.0 110.178 178.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -74.9 -21.45 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.267 -178.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.64 -48.3 72.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.5 m -64.64 -25.4 67.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.068 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.19 -47.25 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 0.0 110.574 176.315 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 m -65.58 -29.96 70.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.469 177.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.47 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.191 -178.529 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 91' ' ' LEU . 68.5 p -60.01 -41.54 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.017 0.437 . . . . 0.0 110.71 178.494 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.66 82.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 177.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.4 tp10 -61.62 -50.88 70.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.928 177.525 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.5 m-85 -58.76 -44.62 90.65 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 178.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -53.58 -55.47 25.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.74 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.27 -27.08 62.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.289 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.2 tp60 -61.39 -46.82 88.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 110.041 177.188 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.4 mt -57.77 -51.33 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.044 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.14 -34.11 76.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.177 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -64.12 -36.25 83.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.931 -175.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 115' ' ' LYS . 16.2 m -97.98 -13.12 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.574 -177.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -114.53 -106.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.119 -177.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.12 15.95 6.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.17 0.588 . . . . 0.0 112.285 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -118.49 13.87 13.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 109.901 179.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -94.23 -172.43 2.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.702 -176.421 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.587 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 13.9 t70 -81.17 -61.62 1.9 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.104 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.587 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 46.0 mmtm -142.66 156.09 45.01 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.46 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 111' ' ' ILE . 67.3 mt -121.59 98.21 46.15 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 109.954 174.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 2.9 Cg_endo -81.5 115.29 2.83 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.57 2.847 . . . . 0.0 112.063 178.216 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.48 152.37 21.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.143 0.497 . . . . 0.0 110.473 178.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.813 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.4 tp -144.21 119.08 9.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.48 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.07 119.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.66 114.52 47.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.138 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.14 112.24 3.57 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.523 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -94.65 165.97 12.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HD2' ' C2 ' ' A' ' 500' ' ' GNP . 13.8 mmmm 67.62 31.56 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.655 0.597 . . . . 0.0 109.8 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -62.41 -12.54 22.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.418 0.628 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.941 176.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HB2' HD11 ' A' ' 95' ' ' ILE . 86.1 mt -89.91 30.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.742 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.35 -24.35 64.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.102 0.41 . . . . 0.0 111.372 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.94 -14.51 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 96' ' ' THR . 97.1 mtt180 -127.14 9.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -175.196 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 112.03 1.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.173 0.511 . . . . 0.0 110.64 -174.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -100.88 -29.58 12.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.792 -178.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.39 116.71 67.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.528 174.144 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.2 Cg_exo -61.49 100.06 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.843 1.695 . . . . 0.0 109.757 172.516 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.4 p -69.52 -14.84 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.125 0.488 . . . . 0.0 110.674 -168.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -56.97 -41.88 79.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.621 176.139 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.9 pt-20 -78.38 -22.8 47.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.539 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.14 77.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 26.1 mtp180 -70.74 -35.56 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.761 174.543 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 t -63.28 -37.34 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.409 177.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 74.9 mmtt -55.81 -47.15 77.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.099 0.476 . . . . 0.0 110.199 175.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.53 76.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.652 -177.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.64 -44.5 90.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.62 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.219 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.25 -16.36 56.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.874 0.369 . . . . 0.0 111.071 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.16 29.12 59.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.792 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.42 -175.41 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 -178.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.813 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.7 pm0 -112.11 146.06 38.67 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.352 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -122.36 122.39 38.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.879 0.371 . . . . 0.0 110.437 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.88 139.2 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.37 132.77 45.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.564 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.0 p -134.33 174.73 10.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.118 0.485 . . . . 0.0 110.738 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.7 t -163.53 136.95 5.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.551 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.478 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -88.47 -3.74 58.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.208 0.528 . . . . 0.0 109.582 174.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.403 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 21.8 tptm -82.54 -23.34 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.665 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -123.73 -14.37 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.486 -177.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 63.97 74.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.25 -177.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.01 -161.09 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.665 -178.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -67.91 54.29 0.07 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.789 0.328 . . . . 0.0 111.398 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.547 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.1 t -69.08 -47.05 77.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 -179.347 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.11 -35.03 79.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 -178.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.92 -47.84 84.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.611 -174.067 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.671 ' HB ' HD21 ' A' ' 124' ' ' LEU . 22.0 m -58.42 -30.11 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.488 0.185 . . . . 0.0 111.383 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -64.17 -56.14 16.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 68.1 m-85 -62.55 -38.56 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.203 -176.059 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -56.46 -50.89 70.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.71 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 40.0 tp -64.99 -42.97 94.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.148 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.647 ' SD ' HD12 ' A' ' 64' ' ' ILE . 45.7 mtp -59.31 -33.71 71.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.04 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.556 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 12.2 mmt180 -75.45 -38.24 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.216 179.038 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 11.6 mm-40 -53.39 -36.54 61.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.265 0.555 . . . . 0.0 111.847 174.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 173' ' ' MET . 58.1 mt -66.66 -24.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.657 -177.472 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.556 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 83.6 mtm180 -53.62 -51.34 63.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.846 0.355 . . . . 0.0 111.363 -179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.5 m -63.99 -31.67 72.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.883 -177.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 120' ' ' LYS . 13.2 mptt -68.87 -42.58 76.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.612 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -73.74 -45.61 50.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.701 -177.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.87 -40.48 60.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -177.733 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.9 t 63.39 -77.95 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.517 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -160.93 -70.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -175.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 65.7 t30 52.23 45.93 27.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 110.454 -178.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.094 -179.623 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.9 m -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.648 0.379 . . . . 0.0 111.35 -174.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 0.0 110.593 -178.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.9 m -69.44 -42.04 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.66 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 90.5 mt-30 -57.99 -39.37 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.394 178.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.09 -51.62 65.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 177.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.07 -44.37 95.92 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.121 178.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.613 ' O ' HG13 ' B' ' 402' ' ' ILE . 38.4 mm -55.27 -50.67 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.563 0.221 . . . . 0.0 110.806 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 61.5 mtpt -61.53 -39.34 90.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.361 -177.059 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 403' ' ' ARG . 9.1 mm-40 -65.59 -39.27 91.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.777 177.621 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 175.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.638 HG12 ' HG ' ' B' ' 439' ' ' LEU . 67.8 mt -60.77 -51.18 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 177.139 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' B' ' 400' ' ' GLU . 36.9 mtm180 -57.31 -35.17 69.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.497 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -67.64 -44.96 76.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 82.9 mm-40 -72.93 -35.43 67.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 0.0 110.456 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 55.0 mt-10 -65.46 -35.6 81.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.5 -49.82 76.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.381 173.433 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -44.86 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.447 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.3 tm? -61.92 -48.05 82.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.71 -44.82 90.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.886 177.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -53.85 49.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.243 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -52.57 -53.81 41.43 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.591 0.356 . . . . 0.0 111.875 176.857 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.29 -50.22 74.38 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -77.19 -30.07 54.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.759 -172.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.04 -49.62 64.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.304 0.573 . . . . 0.0 110.022 178.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 44.8 mt -70.22 -32.61 70.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.217 -177.808 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.495 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 10.0 mt-30 -67.32 -9.84 45.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.836 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.14 -9.72 86.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.146 175.575 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.16 17.01 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.854 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.1 mt -102.97 129.51 54.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.03 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.86 137.32 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.959 0.885 . . . . 0.0 112.379 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.9 t70 -148.76 171.66 15.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.271 177.411 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.438 ' H ' HD23 ' B' ' 423' ' ' LEU . 0.2 OUTLIER -72.94 -24.75 60.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 118.916 0.78 . . . . 0.0 109.786 174.306 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 m -65.24 -38.55 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.201 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.737 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -70.42 -34.91 73.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.7 -172.734 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.737 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -72.98 -37.28 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.638 0.256 . . . . 0.0 110.311 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.15 -43.57 91.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.525 175.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.602 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.41 -37.13 82.61 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.937 -179.191 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.553 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 11.0 mt -56.64 -56.35 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.803 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 67.3 m95 -61.72 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.376 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 5.3 mm-40 -63.73 -54.32 37.26 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.2 177.382 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.1 t -56.49 -35.96 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.891 0.853 . . . . 0.0 108.962 177.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 28.3 tp60 -60.73 -58.72 7.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.408 -177.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.78 -26.53 65.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.727 -177.622 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 435' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.97 -52.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 173.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.9 tp -61.76 -44.83 96.12 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.041 -177.463 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.571 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.6 t -65.37 -40.82 94.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.034 -175.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.57 -36.21 80.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.638 ' HG ' HG12 ' B' ' 402' ' ' ILE . 31.4 tp -67.49 -37.0 82.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.372 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -62.71 -39.68 94.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.442 0.639 . . . . 0.0 109.691 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 2.7 tmt_? -66.97 -40.88 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.208 177.07 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -57.95 -31.96 67.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.083 176.549 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.6 tp -63.86 -43.64 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.371 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -80.65 -3.52 50.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.422 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -99.53 -30.79 11.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 110.491 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.474 -177.632 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.501 ' C2 ' ' HD2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 503' ' ' HOH . . . . . 0.589 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.047 -0.421 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 61.16 63.09 1.28 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.25 0.547 . . . . 0.0 110.63 -177.06 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 67.48 -88.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.449 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' HE2' ' A' ' 180' ' ' LYS . 30.9 t -173.84 94.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.67 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 180' ' ' LYS . 1.1 pt? -125.2 -2.4 7.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.844 173.475 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.76 -10.19 59.22 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.097 0.951 . . . . 0.0 109.599 173.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 7.7 mp -119.4 135.75 54.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.621 171.276 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -120.49 118.04 29.23 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.079 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' H ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -96.11 107.54 19.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.915 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.18 124.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.577 0.703 . . . . 0.0 111.417 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mt -113.31 128.75 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.532 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.6 mtt -89.9 104.57 17.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.247 0.546 . . . . 0.0 109.847 174.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 6.3 m -100.02 95.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.769 0.795 . . . . 0.0 111.978 -174.4 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.555 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -108.35 174.22 18.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 169.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.707 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 11.7 p -73.81 -95.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.748 0.774 . . . . 0.0 110.269 -174.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -52.55 12.99 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 173.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.92 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 164.33 102.34 0.17 Allowed Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.009 175.66 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 93' ' ' PHE . 57.1 t -92.51 -82.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.767 0.317 . . . . 0.0 110.295 177.524 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -121.01 12.73 9.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.907 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.92 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 51.5 pttt -72.39 -20.09 61.5 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.391 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -96.35 -31.18 13.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.338 172.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.57 -52.48 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.251 -174.893 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD11 ' OD1' ' A' ' 128' ' ' ASN . 83.1 mt -70.82 -35.72 72.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -170.831 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -66.16 -41.23 90.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -175.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.05 -34.91 77.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 177.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 1.001 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.0 mm-40 -64.24 -46.16 84.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.364 179.077 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -70.69 -22.29 62.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 51' ' ' TYR . 52.2 ttm -88.33 -52.74 5.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.265 -175.022 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 68.3 m-85 -121.75 -6.66 9.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -175.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 68.38 8.15 6.44 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 10.8 pt-20 -99.05 140.94 32.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 1.001 ' HA ' HE22 ' A' ' 33' ' ' GLN . 81.6 t80 -76.77 135.15 38.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -69.77 106.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 111.428 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.71 -48.14 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.044 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -155.86 94.84 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.036 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -152.22 105.12 3.02 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.805 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.9 mm-40 -100.89 -41.81 0.22 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.3 Cg_endo -44.78 116.76 1.25 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.686 2.257 . . . . 0.0 113.037 176.434 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -163.01 29.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.298 176.484 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -86.6 -57.81 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.965 -173.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.88 -2.01 7.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.306 0.574 . . . . 0.0 110.557 175.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.29 122.21 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.712 0.768 . . . . 0.0 110.956 -176.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 t -143.41 170.46 15.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.525 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 91.6 m-85 -134.6 136.05 42.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -171.357 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -75.45 106.19 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 -177.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -101.34 135.54 42.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 37.3 ttmt -109.82 140.05 44.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.53 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.63 -179.53 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.315 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.2 p -152.32 114.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.764 -0.585 . . . . 0.0 111.658 172.504 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.35 96.05 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 18.79 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 125.096 1.497 . . . . 0.0 113.909 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.12 -106.75 0.3 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.896 -178.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.8 pt-20 -103.51 151.55 22.73 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 94.1 mt-10 -62.47 120.75 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.379 0.609 . . . . 0.0 110.79 -178.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.26 144.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.314 -174.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.6 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 59.9 mt-30 -113.49 136.33 52.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.154 -177.382 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 ' SD ' ' A' ' 173' ' ' MET . 19.7 tt -113.85 140.75 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 32.4 t70 -115.29 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.96 -174.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.34 135.95 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.855 -175.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.6 tp -132.05 135.08 46.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.748 172.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -100.87 166.32 10.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 p -131.96 132.86 43.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -173.078 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 102.32 8.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -89.58 77.9 1.64 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.418 -172.403 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 75' ' ' TYR . 1.4 pp -155.51 170.18 22.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.507 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 73' ' ' GLU . 1.6 mp0 -56.62 -38.86 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.703 0.627 . . . . 0.0 112.346 -173.134 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.97 -68.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.121 -175.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 78' ' ' ILE . 50.9 m-85 -79.96 62.1 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.276 -171.132 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.97 67.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.675 . . . . 0.0 110.204 174.235 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 81' ' ' ASN . . . -74.89 -6.78 51.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.823 -178.223 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.801 HG12 ' HB3' ' A' ' 75' ' ' TYR . 15.2 mm -96.85 -41.61 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -92.11 -65.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.048 0.452 . . . . 0.0 111.757 -173.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.82 -33.0 62.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.56 0.695 . . . . 0.0 110.974 -170.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.865 HD21 HD23 ' B' ' 416' ' ' LEU . 53.7 t30 -76.97 -19.51 57.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.915 -173.771 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 409' ' ' LEU . 4.6 m-85 -94.17 -13.03 27.12 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' HB2' HG21 ' A' ' 114' ' ' VAL . 16.6 m-85 -62.02 -22.97 66.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.223 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -51.65 -61.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.024 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.3 m -93.02 25.7 3.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -175.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.68 174.17 51.14 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.906 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 45.7 tt0 -141.59 -70.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -176.002 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.61 13.61 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.627 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.01 127.56 48.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.128 0.49 . . . . 0.0 111.267 -176.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 124' ' ' LEU . 91.5 mt -107.55 111.2 23.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.136 176.398 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' VAL . 96.0 mt -79.02 106.87 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.55 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HB ' ' A' ' 126' ' ' VAL . 14.9 m -111.8 114.67 47.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 0.0 111.092 -176.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.421 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -133.16 171.88 13.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.963 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -109.7 130.28 55.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.63 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -8.89 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.306 0.574 . . . . 0.0 110.119 -179.151 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.78 -40.4 48.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.05 -179.419 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -101.66 109.44 21.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.64 -26.1 67.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.138 0.494 . . . . 0.0 110.082 177.068 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.66 -47.52 84.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.45 175.1 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 m -59.33 -35.82 74.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.83 -35.19 78.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.227 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 m -66.34 -27.38 67.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.126 0.489 . . . . 0.0 111.309 -176.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.53 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.115 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.7 p -57.11 -40.41 77.01 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.83 -177.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.36 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.55 -48.46 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.081 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.412 ' O ' HG13 ' A' ' 111' ' ' ILE . 15.4 m-85 -57.73 -45.04 86.35 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.242 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -55.51 -52.34 64.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 -177.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.9 mt-10 -62.07 -45.5 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.637 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -55.92 -39.82 72.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.558 0.218 . . . . 0.0 110.952 179.264 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.4 mt -65.22 -52.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.806 177.743 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.18 -37.03 81.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.202 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 98.9 mtt180 -67.78 -32.61 73.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -97.97 -13.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.28 -87.4 0.48 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.167 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.47 -68.06 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.968 0.907 . . . . 0.0 113.248 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -84.48 44.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 111.933 -172.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.0 171.15 8.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.58 -68.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.572 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.583 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 73.3 mmtt -151.76 131.6 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.83 98.32 9.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 73.2 Cg_endo -90.19 130.95 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.263 2.642 . . . . 0.0 112.442 -178.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.528 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.9 mp -127.03 137.76 53.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.501 . . . . 0.0 110.743 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.8 tp -123.66 119.8 30.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.813 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -89.64 121.47 39.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.106 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.569 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.8 t -105.35 125.81 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.79 -176.578 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.47 91.42 1.42 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.901 177.196 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' A' ' 157' ' ' THR . 43.9 m-80 -83.21 167.22 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.427 0.156 . . . . 0.0 110.739 -178.217 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.6 mmmt 64.98 14.92 9.66 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.929 0.768 . . . . 0.0 111.319 179.267 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -71.56 -7.67 49.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.991 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -86.27 17.47 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.595 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 135' ' ' ARG . 2.8 tp -94.48 -51.53 4.72 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 71.14 -56.62 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.986 0.914 . . . . 0.0 112.39 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.12 -55.7 5.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.561 ' HB2' HD21 ' A' ' 132' ' ' LEU . 72.7 mtt180 -115.21 47.83 1.25 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.043 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -63.9 112.27 2.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -88.36 -27.46 21.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.75 110.71 59.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 179.173 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.68 115.06 2.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.302 2.001 . . . . 0.0 110.409 173.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' HD2' ' A' ' 144' ' ' ARG . 21.2 t -59.62 -26.1 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.066 -175.127 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.33 -56.67 17.38 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.15 -21.94 55.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.743 0.306 . . . . 0.0 111.089 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.86 -41.55 91.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.029 0.442 . . . . 0.0 110.224 175.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.574 ' HD2' HG12 ' A' ' 140' ' ' VAL . 48.1 mtp180 -71.65 -31.84 67.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.138 177.156 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.7 t -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.6 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.3 mmtp -65.82 -29.94 70.49 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.029 178.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.85 -41.14 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 175.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -65.91 -36.2 82.74 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.733 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.1 -39.9 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.831 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -98.27 0.3 45.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.095 -175.197 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.07 38.49 88.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 25.8 m -126.08 -175.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -177.193 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.832 ' HG2' HD13 ' A' ' 124' ' ' LEU . 12.6 pm0 -112.97 153.07 28.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.157 176.055 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 94.0 t80 -122.5 125.76 46.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.608 177.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.6 133.0 62.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.101 -179.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.07 130.6 34.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 30.6 m -134.88 130.07 35.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.444 0.64 . . . . 0.0 111.339 -177.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 162' ' ' ARG . 10.2 p -106.8 132.64 52.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.853 178.533 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.93 -11.86 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.73 -176.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.471 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 26.2 tptp -85.04 -49.79 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.111 0.481 . . . . 0.0 109.87 178.637 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.41 -24.04 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.315 174.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 158' ' ' SER . 70.6 mtm180 65.48 85.49 0.14 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.509 179.075 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.45 135.04 29.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 69.02 10.9 8.15 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.79 0.681 . . . . 0.0 111.501 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.83 -43.83 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.281 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.64 -49.75 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 26.8 m -60.29 -25.71 34.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -175.128 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -75.66 -57.38 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.398 176.135 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 173' ' ' MET . 66.6 m-85 -66.38 -33.32 75.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.3 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.54 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.282 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.3 tp -73.11 -35.32 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.638 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.473 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.9 mtp -63.14 -30.84 71.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.561 -178.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 20.4 mmm180 -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.748 176.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.74 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 23.4 mt-10 -62.43 -35.17 78.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.836 176.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mt -55.93 -25.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.26 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -71.23 -49.37 44.01 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.3 m -62.72 -29.7 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.264 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.74 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 34.5 mmtt -66.77 -46.09 76.45 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.08 0.467 . . . . 0.0 110.021 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' A' ' 12' ' ' LEU . 44.4 mmtm -74.66 -35.7 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.267 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.2 mtt -85.49 1.81 47.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -175.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 67.8 m -44.57 -38.65 4.36 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -175.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 185' ' ' LYS . 33.7 tt0 -92.12 107.19 19.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -98.08 8.0 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.401 ' HG3' ' HG2' ' A' ' 183' ' ' GLU . 1.9 ptmm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.45 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 41.4 p -176.26 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -176.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 0.0 OUTLIER -51.33 -46.63 62.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.837 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m -73.24 -42.87 62.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.032 0.444 . . . . 0.0 110.794 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.424 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 42.6 mt-30 -66.05 -27.13 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.39 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.11 -54.91 33.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.619 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.95 -34.84 91.01 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.824 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.6 mm -64.54 -53.51 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.541 178.55 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.2 mttt -58.31 -43.66 88.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.419 -177.136 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 49.4 mm-40 -74.5 -37.27 63.16 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.272 176.089 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.6 mt -55.64 -53.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.376 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.507 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.4 mmm180 -62.93 -33.51 75.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.114 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 44.0 ttt180 -59.72 -52.25 66.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 176.528 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 66.9 mm-40 -73.45 -32.15 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.618 -176.711 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.546 ' CG ' HD21 ' B' ' 436' ' ' LEU . 48.7 mt-10 -60.16 -43.43 95.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.617 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.87 -43.31 75.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.831 177.216 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.4 mt -60.57 -52.22 66.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.094 -178.666 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.552 HD13 HG13 ' B' ' 432' ' ' VAL . 55.4 tp -66.63 -32.72 74.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -62.39 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.255 175.346 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.1 t -59.85 -51.88 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -51.94 -43.17 63.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 175.466 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.554 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 12.9 m170 -67.97 -38.23 82.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.67 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -77.6 -52.43 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.75 -53.57 56.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 111.611 -176.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.865 HD23 HD21 ' A' ' 81' ' ' ASN . 1.9 mp -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.337 -175.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 36.3 tt0 -67.38 -11.98 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.011 -176.388 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.18 5.96 84.19 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.341 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.77 9.25 57.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.269 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.93 126.98 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -133.24 144.09 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.93 0.872 . . . . 0.0 112.37 -177.389 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.7 t70 -151.53 168.61 24.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 173.062 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.63 -30.0 63.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.807 0.813 . . . . 0.0 109.254 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.3 m -68.08 -32.15 72.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.325 -178.431 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.741 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.09 -37.03 72.43 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.351 -172.858 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.741 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.4 pt-20 -74.36 -44.39 52.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.88 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 176.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.2 mmt180 -65.5 -39.48 91.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.019 175.537 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 10.1 mt -55.41 -52.68 62.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.577 0.548 . . . . 0.0 111.831 -176.492 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.623 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 86.9 m95 -70.77 -44.67 66.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.398 -176.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.25 -52.72 64.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.768 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.3 p -62.19 -34.04 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.43 -48.13 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.149 176.142 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.623 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.3 mpt_? -68.08 -39.74 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.767 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 34.8 mt -62.24 -42.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 178.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.546 HD21 ' CG ' ' B' ' 406' ' ' GLU . 2.8 tm? -57.78 -48.42 79.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.132 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.478 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.5 t -74.13 -32.49 63.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.966 -176.36 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.72 -36.12 82.71 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 109.949 175.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.685 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -62.18 -50.2 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.964 176.687 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -63.17 -29.2 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.319 0.58 . . . . 0.0 110.751 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -68.61 -46.0 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.333 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.6 mmmm -64.42 -27.84 69.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 177.555 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.66 -46.13 91.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -81.9 -5.98 58.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.997 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.9 tp10 -93.23 -10.58 35.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.282 0.563 . . . . 0.0 110.169 177.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.987 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.471 ' N2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' C ' ' A' ' 181' ' ' MET . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.356 -0.298 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 181' ' ' MET . 28.7 pt20 -149.14 167.93 24.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -86.9 -30.56 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.184 0.516 . . . . 0.0 110.54 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -81.8 91.75 6.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.651 -178.102 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.594 HD22 ' HE3' ' A' ' 180' ' ' LYS . 63.9 mt -108.41 -68.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.233 -178.415 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 59.0 14.54 3.44 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 175.273 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 60.8 tp -150.97 148.22 28.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -137.5 143.27 41.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.673 ' CG ' ' HA2' ' A' ' 86' ' ' GLY . 13.3 tppt? -117.99 107.39 13.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.226 0.536 . . . . 0.0 111.348 174.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 26.9 m -117.65 138.19 49.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.778 173.289 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 89' ' ' PHE . 70.4 mt -127.85 126.01 65.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.218 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 59.8 mtt -93.24 135.42 34.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 m -132.5 143.61 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.309 176.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.44 83.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.744 -177.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.538 ' H ' ' HZ ' ' A' ' 107' ' ' PHE . 46.1 m 56.75 -154.38 0.34 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.037 0.492 . . . . 0.0 110.041 -177.31 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.43 -48.26 55.04 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.868 175.472 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.754 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 170.31 63.92 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.605 175.433 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.7 t -51.44 -67.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 O-C-N 123.949 0.44 . . . . 0.0 112.054 -176.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.22 3.93 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.155 -176.16 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 21.2 pttp -87.46 38.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.618 0.723 . . . . 0.0 111.586 -173.495 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -141.96 -44.07 0.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.161 173.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.35 48.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.73 -36.45 81.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.28 0.562 . . . . 0.0 110.59 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -49.73 67.91 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.219 -177.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 40' ' ' VAL . 20.8 tp -62.58 -35.76 80.54 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.061 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 57.2 mm-40 -56.47 -47.09 79.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.247 0.546 . . . . 0.0 110.868 176.151 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -72.93 -31.42 64.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 55.1 mtm -86.44 -56.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.166 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -110.77 -0.57 16.97 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t70 69.51 16.54 8.14 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 177.126 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -116.96 150.66 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.283 -177.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.08 150.81 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.422 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.5 p -71.81 102.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.895 0.855 . . . . 0.0 112.453 -173.306 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -101.0 -40.99 6.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.604 174.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.03 117.69 9.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.845 -177.151 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -171.58 91.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.774 173.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 53.1 mm-40 -78.77 -45.85 1.86 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.89 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 Cg_endo -59.71 104.36 0.22 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.636 1.558 . . . . 0.0 111.394 173.105 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 44' ' ' GLU . 9.1 t -156.11 13.64 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.253 -176.463 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -85.17 -59.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.375 -177.595 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.53 -5.48 5.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.384 173.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.54 145.73 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.522 -173.142 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.6 p -142.29 161.82 37.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.169 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 61.4 t80 -140.91 138.93 34.22 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.21 121.31 41.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.209 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -98.02 133.06 43.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.15 -177.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 35.8 ttmt -93.77 122.77 36.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.341 176.564 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.22 143.86 34.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.545 174.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -120.83 126.1 74.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.041 0.448 . . . . 0.0 110.351 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -108.52 95.98 6.03 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.231 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 46.67 31.31 1.36 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.217 0.948 . . . . 0.0 112.617 175.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.26 -109.47 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.816 -1.183 . . . . 0.0 114.011 -174.393 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -101.96 152.72 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -175.011 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 57.8 mt-10 -70.77 117.55 12.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.18 0.514 . . . . 0.0 109.875 178.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 13' ' ' ALA . 3.9 t -106.25 147.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.477 -174.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 88.4 mt-30 -113.02 129.92 56.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.319 0.581 . . . . 0.0 110.605 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 173' ' ' MET . 8.3 tt -111.64 122.13 65.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.372 175.08 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 25.6 t0 -99.72 110.85 23.23 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.22 138.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.69 0.281 . . . . 0.0 110.49 -174.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.699 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 50.6 tp -116.63 132.71 56.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.617 -177.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -101.43 111.24 23.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 p -83.73 159.9 21.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.76 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 110.74 21.53 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 173.068 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.54 65.34 4.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.708 -178.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -153.0 168.56 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 110.767 179.063 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.81 -21.12 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.7 -177.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.1 m-20 -58.98 -72.46 0.1 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.509 0.671 . . . . 0.0 111.395 -177.236 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.442 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.1 m-85 -80.61 68.34 6.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.061 -174.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.75 65.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.68 -7.21 37.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.268 178.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' A' ' 75' ' ' TYR . 49.0 mt -102.04 -22.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.0 109.826 176.679 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 79' ' ' ARG . 21.8 mtt180 -87.87 -65.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.25 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.49 -51.51 62.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.37 -170.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -69.41 -48.08 62.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.02 -173.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -66.5 -29.81 70.0 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.846 -175.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.2 m-30 -69.04 -31.59 70.49 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -174.738 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -59.37 -44.54 92.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.843 0.354 . . . . 0.0 111.397 -176.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.519 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 29.8 t -82.91 19.21 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -178.519 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.673 ' HA2' ' CG ' ' A' ' 16' ' ' LYS . . . -95.43 151.67 20.1 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.442 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 34.5 mt-10 -112.21 -68.95 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' VAL . . . -106.31 149.34 16.63 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' HB ' ' A' ' 18' ' ' ILE . 83.1 m-85 -129.52 148.09 51.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.107 0.479 . . . . 0.0 111.014 -176.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.7 mt -118.23 113.71 21.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.682 -178.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 125' ' ' VAL . 45.5 mt -86.95 106.85 18.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.717 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB ' ' A' ' 126' ' ' VAL . 20.3 m -111.67 115.65 50.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.429 0.633 . . . . 0.0 111.631 -175.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -139.37 159.44 42.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.468 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 p -111.96 141.86 45.08 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.136 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.751 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.34 14.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.814 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.485 ' CG2' HD22 ' A' ' 132' ' ' LEU . 32.0 p -102.1 -21.07 14.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 0.0 109.649 174.15 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -105.56 113.32 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.14 -176.402 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -71.81 -26.82 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.24 -57.88 10.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 11.9 p -67.54 -26.44 66.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -175.376 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.55 -49.46 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.573 176.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 m -72.11 -29.1 63.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.386 0.613 . . . . 0.0 110.373 177.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -70.1 -15.37 62.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.056 -178.353 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' SER . 41.3 p -57.62 -39.01 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 179.21 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.68 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.55 177.195 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -70.7 -45.71 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.919 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.538 ' HZ ' ' H ' ' A' ' 22' ' ' SER . 19.3 m-85 -57.5 -49.81 75.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.11 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -54.44 -57.42 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.84 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 35.1 mt-10 -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.381 -177.096 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 40.7 tp60 -71.25 -32.78 69.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.181 0.515 . . . . 0.0 110.401 178.502 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 121' ' ' ILE . 67.7 mt -73.83 -42.45 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.468 178.128 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 121' ' ' ILE . 6.7 mp -77.49 -5.2 49.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.212 0.529 . . . . 0.0 110.516 176.604 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 109' ' ' GLU . 19.3 tpp180 -78.5 -27.46 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.715 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.4 m -109.25 -25.2 3.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.959 -177.15 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 28.4 mtmt -125.5 154.65 41.77 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.847 0.356 . . . . 0.0 110.115 -178.021 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.112 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.23 4.62 24.9 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.582 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -59.56 -63.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 176.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' OD1' ' HD2' ' A' ' 179' ' ' LYS . 11.2 t70 -161.22 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 171.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.21 179.04 7.78 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 172.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 111' ' ' ILE . 76.6 mt -127.44 100.44 25.9 Favored Pre-proline 0 C--N 1.308 -1.226 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.387 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HB2' HD11 ' A' ' 172' ' ' LEU . 5.2 Cg_exo -77.61 108.17 2.52 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.3 2.667 . . . . 0.0 111.84 178.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 121' ' ' ILE . 4.2 mp -106.09 121.53 44.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.05 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.926 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -104.69 117.46 34.15 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.018 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.841 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -84.99 114.67 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.96 -178.78 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.621 ' HB ' HG12 ' A' ' 92' ' ' VAL . 43.7 t -108.78 109.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.524 -177.192 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.87 93.57 1.76 Allowed Glycine 0 CA--C 1.507 -0.447 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 176.752 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -88.97 166.1 14.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -175.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.537 ' HA ' ' OD2' ' A' ' 131' ' ' ASP . 9.9 mptt 63.9 58.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 -171.535 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.8 m -84.89 8.14 18.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.71 0.766 . . . . 0.0 109.153 170.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.537 ' OD2' ' HA ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -77.85 -21.61 51.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.668 -176.087 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -80.81 -54.66 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.683 -178.049 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 65.24 -74.26 0.05 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.713 0.805 . . . . 0.0 112.037 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.82 -12.52 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.11 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 57.1 mtt180 -86.07 9.69 16.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.906 0.384 . . . . 0.0 110.3 178.094 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.97 113.43 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.343 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -103.38 -18.97 14.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.176 0.513 . . . . 0.0 110.394 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.08 121.56 31.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.786 176.01 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.03 108.29 0.29 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -72.84 -13.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.846 -176.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 2.1 mp0 -56.88 -47.26 80.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.251 178.247 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.43 -24.42 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.758 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.8 75.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.101 0.477 . . . . 0.0 110.196 175.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.9 mtp180 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.999 174.521 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.507 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 15.4 t -68.78 -25.3 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.82 -178.073 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -63.2 -43.23 98.76 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.291 -0.256 . . . . 0.0 111.588 171.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.618 . . . . 0.0 109.597 174.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 32.4 tt0 -59.95 -38.35 82.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.888 175.437 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.84 -44.62 93.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.103 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -88.79 -8.52 54.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.895 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.63 38.52 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.518 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.68 -172.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.521 0.201 . . . . 0.0 110.946 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.926 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -108.56 147.46 31.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -117.68 126.3 52.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.647 174.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.43 120.43 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -84.11 134.37 34.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.7 p -126.21 130.29 50.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.409 0.624 . . . . 0.0 112.392 -175.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 42.9 t -93.95 110.74 22.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 171.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.711 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -91.32 -3.85 56.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.354 -173.663 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -96.06 -12.55 24.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.293 178.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.2 p -126.59 -8.78 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.361 0.601 . . . . 0.0 109.982 -177.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 62.99 77.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.584 -175.391 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -126.8 123.87 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.022 177.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 68.12 10.96 8.16 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.135 0.897 . . . . 0.0 111.528 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.6 t -72.01 -49.31 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 110.272 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.84 -30.5 71.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.574 179.337 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 60.5 tttp -60.33 -56.29 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.826 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.71 -27.14 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -74.63 -54.89 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.033 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -70.33 -34.77 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.329 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.5 OUTLIER -58.84 -51.37 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.347 -177.933 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 122' ' ' PRO . 49.7 tp -71.93 -37.4 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.577 -178.097 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 64' ' ' ILE . 46.1 mtm -58.41 -30.17 66.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.913 -178.644 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 174' ' ' ARG . 15.8 mmt180 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.048 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.04 -30.32 71.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.897 0.38 . . . . 0.0 110.531 177.244 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 173' ' ' MET . 64.3 mt -62.13 -36.9 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 176.174 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -59.86 -44.5 94.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.5 m -62.72 -32.19 73.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.42 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 68.2 mmtt -69.83 -37.63 76.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.096 0.474 . . . . 0.0 111.262 177.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.594 ' HE3' HD22 ' A' ' 12' ' ' LEU . 26.6 mtpp -76.0 -30.15 58.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.09 0.471 . . . . 0.0 110.438 177.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.495 ' C ' ' HA3' ' A' ' 8' ' ' GLY . 75.2 mtm -87.97 -0.34 56.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.461 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 75.7 m -43.26 116.3 0.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -174.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 70.1 125.29 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.795 174.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -116.85 17.73 14.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.76 173.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt . . . . . 0 C--O 1.247 0.962 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.296 -177.03 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.591 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.0 p -66.51 -31.93 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -176.697 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.4 -36.1 82.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 110.696 178.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.499 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.3 m -73.21 -37.44 66.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 177.59 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 90.5 mt-30 -60.24 -31.65 70.4 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.226 -179.179 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.73 63.99 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 110.665 178.208 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -66.48 -39.39 94.03 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.017 178.283 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' B' ' 442' ' ' LYS . 50.0 mm -59.31 -51.3 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.299 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.11 -39.22 78.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.174 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.58 -43.69 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 176.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.525 ' HB2' HD11 ' B' ' 439' ' ' LEU . 53.5 mt-10 -65.97 -44.05 86.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.647 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.0 mt -53.46 -54.22 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.566 179.003 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.3 -29.31 68.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.733 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.22 -52.69 63.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.426 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.0 mm-40 -66.59 -28.29 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -177.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.53 -41.32 89.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.073 173.193 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -67.86 -52.12 40.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 178.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.419 ' O ' HD23 ' B' ' 412' ' ' LEU . 7.4 mp -56.41 -46.45 80.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 429' ' ' LEU . 26.9 tp -66.04 -37.42 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 110.259 179.011 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.41 -37.88 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.151 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 15.6 t -59.47 -53.02 62.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.449 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.419 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -57.26 -36.56 71.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.103 0.478 . . . . 0.0 110.774 175.578 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.6 m-70 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.693 -178.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -78.01 -44.53 26.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -59.48 -54.74 43.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 -175.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.646 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -70.89 -25.98 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.335 -175.214 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 38.0 tt0 -64.5 -16.64 62.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 -176.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.11 0.42 67.32 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.908 178.451 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 -3.99 34.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.503 176.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 11.4 mt -107.53 135.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 166.48 32.62 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.263 170.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 17.8 t70 -147.99 159.57 43.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 0.5 OUTLIER -64.2 -29.43 70.54 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.434 -175.473 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -64.55 -39.57 93.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 0.0 109.661 177.057 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 17.1 mttt -73.62 -43.47 59.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.793 -175.205 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 38.4 mt-10 -58.68 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -178.09 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.22 -34.86 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -68.3 -33.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.139 177.234 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 409' ' ' LEU . 11.9 tp -67.38 -40.22 85.68 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.217 -178.148 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.699 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 7.3 m95 -69.46 -44.17 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.808 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.426 ' O ' HG13 ' B' ' 435' ' ' ILE . 15.4 mm-40 -59.65 -52.69 64.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.725 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' B' ' 435' ' ' ILE . 14.7 p -60.76 -35.04 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.2 tp60 -57.86 -48.62 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.548 0.69 . . . . 0.0 110.258 174.512 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' B' ' 437' ' ' THR . 29.6 mtt180 -70.58 -27.15 63.89 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -71.83 -40.1 68.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.715 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' B' ' 440' ' ' LYS . 3.3 tm? -57.34 -46.01 83.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.395 172.573 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.616 HG22 ' HA ' ' B' ' 434' ' ' ARG . 5.1 t -74.27 -29.53 61.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.919 0.39 . . . . 0.0 110.666 -177.013 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.36 -35.69 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.911 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -65.74 -36.77 84.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.575 176.568 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 436' ' ' LEU . 46.6 mtpt -59.53 -36.5 76.25 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 109.551 175.626 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -67.66 -45.27 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.011 176.885 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.911 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.4 mtpt -57.85 -37.93 74.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.9 tm? -63.77 -44.96 91.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.25 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -81.61 -1.83 47.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.0 0.429 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -95.41 -21.5 18.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.53 178.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.241 -176.431 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.711 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 502' ' ' HOH . . . . . 0.418 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.518 ' HG2' ' H ' ' A' ' 10' ' ' SER . 9.9 tt0 -94.19 -161.39 0.85 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.518 ' H ' ' HG2' ' A' ' 9' ' ' GLN . 61.3 m -77.97 37.57 0.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.831 0.348 . . . . 0.0 111.24 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 9' ' ' GLN . 40.4 m 64.1 9.2 4.52 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.604 0.761 . . . . 0.0 112.038 178.327 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt 53.18 24.32 3.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 -177.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.61 1.71 32.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.202 0.525 . . . . 0.0 112.359 -169.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.7 tp -128.27 123.1 33.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.462 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -119.95 134.65 55.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.292 -177.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 51.3 mmtt -111.32 110.17 20.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 64' ' ' ILE . 7.6 p -123.94 129.25 74.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.396 0.617 . . . . 0.0 111.118 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.22 116.0 51.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.735 176.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 ttt -90.16 118.16 29.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.167 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.57 171.8 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.22 0.534 . . . . 0.0 111.88 -173.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.69 -169.97 43.08 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -178.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -63.58 -65.33 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.111 0.455 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.82 -71.71 0.23 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.25 43.37 0.6 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.445 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 24.5 t -44.38 -63.87 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 O-C-N 124.521 0.777 . . . . 0.0 112.294 -176.095 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.4 10.12 1.11 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.678 177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 13.6 pttp -83.49 27.5 0.6 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.182 0.515 . . . . 0.0 111.039 -174.576 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -153.6 -38.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.248 0.547 . . . . 0.0 110.059 -172.215 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.26 14.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.489 177.516 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.04 -31.37 72.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.547 -174.116 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 66' ' ' ILE . 17.9 p -68.86 -36.23 77.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.336 -178.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 HG22 ' A' ' 40' ' ' VAL . 10.1 tt -64.43 -41.46 96.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 176.745 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -63.47 -35.53 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.33 -12.13 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.606 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.6 mtm -106.51 -50.07 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 111.61 -179.725 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 43.4 m-85 -93.22 -11.91 31.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.678 -174.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 24.6 t70 75.19 -28.35 0.19 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.392 0.677 . . . . 0.0 111.728 -178.675 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.87 170.43 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.996 0.427 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -87.14 147.45 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.346 -173.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 t -70.67 120.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.384 -177.053 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -108.44 -45.23 3.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.225 0.535 . . . . 0.0 109.903 173.696 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -146.14 112.3 5.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -173.19 91.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.5 mp0 -87.02 -54.52 0.38 Allowed Pre-proline 0 CA--C 1.538 0.482 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.873 -178.371 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 10.2 Cg_endo -49.56 102.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 123.421 2.748 . . . . 0.0 113.672 -173.416 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.569 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -165.15 52.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.343 176.117 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -86.89 -57.46 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.094 0.473 . . . . 0.0 110.675 -177.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.76 11.88 6.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.639 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.27 121.17 18.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.5 -170.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.2 p -96.7 139.81 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 1.1 p90 -129.91 121.9 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.463 0.649 . . . . 0.0 111.273 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -98.23 117.63 33.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.215 -177.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 57.1 tptt -111.63 128.61 56.11 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -90.24 125.69 35.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.5 m -136.68 145.13 30.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.4 p -106.48 102.5 14.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.736 0.779 . . . . 0.0 110.385 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -91.05 107.9 19.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.258 175.706 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 23.5 t70 78.42 -48.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.826 174.611 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.21 -55.08 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.002 -1.571 . . . . 0.0 114.981 -172.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.0 pt-20 -98.24 145.22 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.706 0.753 . . . . 0.0 111.824 -171.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -73.2 107.82 5.74 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.8 t -107.94 148.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.648 -175.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -113.47 119.39 37.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.416 0.626 . . . . 0.0 111.068 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD11 HG11 ' A' ' 17' ' ' VAL . 9.7 tt -106.4 119.73 56.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.476 176.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.8 114.63 28.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.652 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mp -108.04 129.37 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.51 . . . . 0.0 110.716 -174.017 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.1 tp -106.57 119.6 39.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.312 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 52.4 t0 -91.07 105.83 18.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.692 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 p -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.79 110.9 18.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.031 172.066 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 90.01 1.07 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.13 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -142.0 158.23 44.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.07 72.66 3.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 0.0 109.944 177.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.49 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.484 -178.406 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -77.34 73.05 3.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.25 -27.92 66.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 176.41 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.8 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -61.74 -28.72 69.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.568 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.885 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 76.7 mt -81.25 -40.63 18.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.644 0.259 . . . . 0.0 111.579 -175.396 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -90.84 -53.0 4.58 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.7 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.55 -55.28 6.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.066 0.46 . . . . 0.0 111.674 -175.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.8 HD22 ' HA ' ' A' ' 77' ' ' ALA . 53.8 m-80 -72.29 -31.11 65.44 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.03 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.885 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 10.2 m-85 -73.74 -28.43 61.69 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.0 m-30 -61.68 -23.89 66.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.556 0.217 . . . . 0.0 111.565 -177.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.75 -53.16 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.674 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 49.7 m -93.33 24.77 3.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 111.762 -177.446 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.11 141.85 15.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.659 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 41.6 mt-10 -96.42 -67.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.583 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -103.77 148.34 16.95 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.242 -177.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.7 m-85 -129.35 131.64 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.914 0.388 . . . . 0.0 110.747 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 74.9 mt -104.28 124.19 48.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.05 108.22 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.141 -178.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.873 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.8 m -117.24 135.58 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.268 0.556 . . . . 0.0 111.53 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -150.66 152.11 33.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.322 177.206 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.5 t -89.16 147.25 24.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.897 0.38 . . . . 0.0 109.993 178.337 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.739 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.62 1.35 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.539 ' CG2' HD22 ' A' ' 132' ' ' LEU . 11.4 p -93.11 -14.14 27.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.373 0.606 . . . . 0.0 109.703 171.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.78 101.41 12.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.643 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -78.23 -27.09 47.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.191 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.39 -52.49 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.463 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -60.64 -31.23 70.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.038 178.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.25 -42.87 96.23 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.937 0.399 . . . . 0.0 110.604 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.5 m -76.0 -31.82 59.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.302 0.572 . . . . 0.0 110.363 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.84 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.113 -177.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -52.92 -45.49 67.64 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.955 0.407 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.99 -34.64 76.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.46 178.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.43 -40.02 89.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.403 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -58.98 -47.17 86.11 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.34 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -57.63 -50.74 72.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.75 -40.94 85.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.341 179.097 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -64.88 -45.48 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 7.5 mp -68.11 -20.53 64.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.719 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.824 ' HE ' ' HA ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -59.09 -40.88 86.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 175.581 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.489 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -101.56 -21.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.328 -177.115 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -101.57 -91.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.968 -178.345 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 61.9 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.511 0.724 . . . . 0.0 112.939 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.16 54.91 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.344 0.592 . . . . 0.0 111.227 -173.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 20.3 mm-40 -105.33 -164.74 1.06 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.415 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.42 -72.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 171.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.652 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 71.2 mmtt -154.43 145.42 22.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.071 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.26 99.04 11.63 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 57.2 Cg_endo -75.85 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.538 2.158 . . . . 0.0 111.878 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 97.3 mt -116.78 156.06 27.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.446 -178.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tt -150.48 123.65 8.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.7 t -93.97 122.59 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -177.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.873 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.6 t -116.57 123.34 71.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -176.239 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.3 102.44 2.91 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.425 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 25.1 p30 -100.14 174.57 6.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.929 -0.16 . . . . 0.0 110.905 -176.326 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 25' ' ' VAL . 3.1 mptm? 66.56 26.6 9.83 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 123.602 0.564 . . . . 0.0 111.789 179.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -66.58 -0.37 2.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.061 0.458 . . . . 0.0 111.361 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.66 -33.69 75.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.867 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.539 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER -64.01 -39.68 94.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.366 178.344 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.03 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.778 175.16 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -76.82 -16.2 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 -172.228 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 77.5 mtp180 -84.58 8.35 16.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.512 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 36.4 ttp180 -62.64 114.06 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.379 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -91.0 -32.65 15.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.537 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.06 124.94 33.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.93 122.12 11.17 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.581 2.188 . . . . 0.0 111.723 178.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -67.02 -22.26 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.23 -178.357 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.04 -47.28 86.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.652 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.6 -23.46 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.32 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.26 175.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.0 mtp180 -63.38 -37.19 86.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.301 177.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.3 t -68.86 -24.5 64.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.102 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 26.9 mmtp -76.88 -34.49 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.046 -0.409 . . . . 0.0 110.59 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.61 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.63 -41.76 91.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.964 174.311 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.16 -43.8 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.168 -179.028 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -89.26 -4.89 58.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -175.069 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.27 35.13 34.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.53 177.366 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.33 -179.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.932 0.396 . . . . 0.0 111.094 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.79 161.76 13.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -130.85 117.88 19.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.85 136.29 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -175.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -91.62 127.16 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.144 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.3 p -136.54 159.75 40.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.235 0.54 . . . . 0.0 111.68 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -146.69 126.01 13.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.254 172.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.03 54.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.772 -177.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.425 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 54.9 tptt -64.09 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.377 -175.691 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.2 p -116.06 -14.61 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.583 -178.032 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 62.11 79.13 0.26 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.866 -179.232 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -129.37 116.03 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -178.151 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 56.87 27.42 12.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.469 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.483 ' O ' HG22 ' A' ' 168' ' ' VAL . 92.8 t -68.17 -43.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.151 178.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.86 -34.21 75.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -59.88 -44.66 94.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.219 -171.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.7 m -61.73 -27.14 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.606 0.241 . . . . 0.0 111.408 -175.081 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.11 -44.35 47.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.515 176.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -67.22 -46.37 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.251 -178.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -55.83 -51.38 67.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 110.606 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.7 tm? -60.91 -42.46 98.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.821 179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 60.3 mtm -64.47 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.172 -0.33 . . . . 0.0 111.815 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -68.45 -44.08 75.67 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 16.3 mm-40 -54.8 -45.88 74.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.753 0.311 . . . . 0.0 110.859 172.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 172' ' ' LEU . 66.2 mt -58.01 -36.92 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.204 179.555 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -56.57 -51.89 66.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.041 0.448 . . . . 0.0 110.54 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -70.11 -38.58 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.057 -177.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -62.76 -38.37 90.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.343 178.473 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 30.2 mtpp -74.32 -29.56 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.547 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.1 mtm -84.32 -24.91 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.715 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 32.4 t 65.81 -173.36 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.786 0.678 . . . . 0.0 110.04 -178.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 185' ' ' LYS . 44.4 tt0 -84.87 -68.38 0.73 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 53.75 31.35 12.75 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.787 0.68 . . . . 0.0 111.718 175.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 183' ' ' GLU . 99.3 mttt . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.6 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 7.1 p -111.33 19.31 18.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.745 0.307 . . . . 0.0 111.334 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.59 -60.27 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.375 -177.402 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m -74.08 -25.79 60.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.456 0.646 . . . . 0.0 110.188 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -64.89 -26.33 68.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.246 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.41 15.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.821 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.43 -38.16 94.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.267 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.583 ' O ' HG13 ' B' ' 402' ' ' ILE . 19.3 mm -60.96 -53.24 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.732 0.301 . . . . 0.0 110.531 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.43 -45.98 87.39 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.029 -175.012 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.45 -38.55 91.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.669 0.271 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 13.2 tp10 -71.96 -31.98 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.065 177.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 398' ' ' ILE . 76.4 mt -61.27 -48.61 88.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.05 -37.37 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 0.0 110.626 176.591 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 44.4 ttt180 -67.47 -46.62 72.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.849 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -69.21 -37.83 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' B' ' 436' ' ' LEU . 57.0 mt-10 -61.91 -35.08 77.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.455 177.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -68.87 -46.32 68.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 175.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' B' ' 432' ' ' VAL . 78.5 mt -62.6 -48.91 77.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.069 0.461 . . . . 0.0 110.723 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.575 HD23 HG13 ' B' ' 432' ' ' VAL . 3.1 tm? -66.19 -31.99 73.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.038 179.468 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.4 -42.14 92.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 175.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.4 t -59.59 -54.58 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.1 mm? -56.57 -30.62 63.36 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 111.22 178.438 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -69.5 -44.8 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.389 176.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 97.1 mtt180 -76.92 -50.37 13.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.512 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.99 -48.28 82.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 111.781 -175.299 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 425' ' ' LYS . 7.8 mp -66.99 -25.32 66.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.317 -175.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 7.1 mt-30 -54.22 -29.33 46.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.427 177.503 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.3 -6.39 75.03 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.522 -176.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.18 13.45 58.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.379 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.3 mt -84.16 116.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.0 pttp -117.87 146.74 43.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.017 0.913 . . . . 0.0 112.702 -175.198 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.464 ' O ' ' HE3' ' B' ' 425' ' ' LYS . 17.3 t70 -150.88 169.27 22.12 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 171.726 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -72.07 -32.45 67.06 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.21 173.734 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 33.1 t -64.66 -40.59 95.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.539 -178.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.698 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.67 -39.14 91.02 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.626 -170.748 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.698 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.8 pt-20 -73.87 -41.79 61.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.429 -179.517 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 46.3 mt-10 -63.44 -45.13 92.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.509 ' O ' HG12 ' B' ' 432' ' ' VAL . 27.3 mmt180 -64.26 -35.4 80.71 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.052 177.744 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' B' ' 429' ' ' LEU . 0.7 OUTLIER -56.34 -56.07 25.65 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 123.238 0.336 . . . . 0.0 110.754 -178.276 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.674 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 38.8 m95 -68.82 -30.85 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.634 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 30.9 tt0 -64.13 -57.32 9.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.366 -177.206 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -64.85 -34.12 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.313 0.577 . . . . 0.0 109.79 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.79 -53.34 58.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.342 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.634 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -66.93 -28.48 68.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.371 -177.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.2 mt -70.53 -52.05 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.917 175.787 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' B' ' 406' ' ' GLU . 21.7 tp -56.56 -42.35 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.4 t -71.1 -40.13 71.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.824 -176.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.375 0.607 . . . . 0.0 110.141 176.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' B' ' 402' ' ' ILE . 44.7 tp -67.9 -42.81 80.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.257 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.99 -30.93 71.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.401 0.619 . . . . 0.0 109.679 174.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.46 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 1.1 tmt_? -67.43 -45.08 77.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.375 175.647 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -61.24 -28.91 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 177.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.03 -45.05 94.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.268 174.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -76.72 -12.94 60.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.2 tp10 -86.72 -9.98 54.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.819 178.3 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.316 178.185 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.793 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -73.75 0.13 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.21 0.529 . . . . 0.0 110.838 -176.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -122.29 -160.46 0.88 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.282 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 t -91.69 94.11 9.22 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 177' ' ' ARG . 1.7 pt? -137.67 15.91 2.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.892 -177.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -91.14 13.61 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.397 0.618 . . . . 0.0 111.078 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -139.34 118.8 12.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.062 176.117 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 26.3 m-70 -116.75 136.46 52.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 -177.597 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -113.52 106.83 15.02 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.417 177.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.6 t -109.19 110.49 32.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.849 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.5 120.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.504 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.8 mmm -89.75 108.61 19.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.408 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -94.88 153.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -176.282 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.83 -179.89 48.81 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.6 m -145.99 16.93 1.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.538 0.685 . . . . 0.0 109.797 -175.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.29 -169.82 38.91 Favored Glycine 0 N--CA 1.436 -1.318 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.793 -177.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.22 67.94 0.71 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.79 -1.195 . . . . 0.0 112.622 -178.077 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 94' ' ' SER . 68.0 t -66.73 -41.19 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 174.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 133.96 28.65 0.49 Allowed Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -176.635 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -74.0 -18.66 60.83 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -174.359 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -88.11 -15.11 37.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.417 . . . . 0.0 111.028 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.08 43.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.09 0.472 . . . . 0.0 110.69 178.024 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.705 -175.34 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 p -66.86 -39.75 87.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.255 -177.209 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.15 -41.16 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -69.36 -27.1 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.519 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 71.9 t80 -61.02 -36.38 79.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 176.436 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 ttm -94.28 -53.76 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.917 -176.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.68 -21.06 15.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.4 t70 66.48 16.81 10.52 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.982 0.896 . . . . 0.0 110.437 -175.112 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.03 147.16 25.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.734 177.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -78.79 148.07 33.06 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.94 105.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 0.0 111.183 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -104.44 -35.24 7.98 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 175.431 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -144.4 99.46 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.609 176.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -158.88 93.36 1.16 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.066 176.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 34.2 tt0 -82.59 -61.4 0.34 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.925 -174.185 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 50.6 Cg_exo -51.53 -90.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.926 2.417 . . . . 0.0 115.538 -162.527 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.478 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 17.7 p 47.53 25.87 0.71 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.883 0.473 . . . . 0.0 111.688 -168.662 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -87.08 -59.32 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.77 25.76 6.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.499 169.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 45' ' ' PRO . 6.4 t70 -91.13 111.26 22.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.595 -172.266 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -122.83 155.81 35.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.213 177.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.2 105.29 3.62 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.05 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -80.02 123.29 27.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.446 -168.372 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 52.2 tptt -101.19 127.56 47.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.303 178.252 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.12 129.05 34.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 62' ' ' VAL . 3.4 m -133.48 149.08 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.46 -179.087 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' GLU . 14.1 p -153.02 132.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.878 175.646 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.37 98.81 5.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.918 175.679 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.32 29.28 17.89 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.704 0.628 . . . . 0.0 112.215 176.2 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.27 -133.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.5 -1.333 . . . . 0.0 114.369 -177.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 pt-20 -92.28 152.78 19.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.688 -174.456 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.3 109.16 2.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.327 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 55' ' ' VAL . 11.5 m -106.76 179.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.9 134.66 31.93 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.797 -171.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.492 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 10.4 tt -108.6 112.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.597 0.713 . . . . 0.0 109.744 172.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -103.08 126.94 50.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.549 -177.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.44 137.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -167.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 tp -126.77 111.75 14.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.548 171.195 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -98.24 99.37 10.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.2 m -58.42 136.35 57.44 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.772 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.08 43.3 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.523 179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.29 46.17 3.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.369 -178.875 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -154.57 160.76 41.69 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.374 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -84.82 -23.01 29.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.018 -177.564 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -47.91 -64.67 0.73 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.657 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.27 72.3 4.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.167 -175.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.1 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.699 176.696 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.283 174.296 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.684 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 19.5 mt -91.36 -22.0 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.92 -179.037 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 40.1 mtp85 -92.64 -66.44 0.92 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.509 -179.219 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.2 -52.45 9.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.698 -174.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.783 HD22 ' HA ' ' A' ' 77' ' ' ALA . 51.8 m-80 -72.15 -24.63 61.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.531 -170.422 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.684 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -88.29 -26.99 22.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.603 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HB2' HG21 ' A' ' 114' ' ' VAL . 13.6 m-30 -65.8 -14.59 61.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.866 0.365 . . . . 0.0 111.857 -175.629 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 22.0 mmm180 -54.65 -64.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -176.239 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.594 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.1 m -91.96 27.09 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -171.164 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.35 175.18 34.42 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.978 176.214 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.559 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 50.1 mt-10 -111.88 -75.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.19 0.495 . . . . 0.0 110.499 177.502 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -108.9 155.09 16.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.4 -174.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -126.75 128.01 45.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -177.04 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 124' ' ' LEU . 66.6 mt -96.99 113.31 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.712 175.126 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 125' ' ' VAL . 50.2 mt -81.26 106.86 13.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -109.29 108.59 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 111.082 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -125.86 163.42 22.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.146 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.605 ' HB2' HG13 ' A' ' 25' ' ' VAL . 41.7 t -93.46 128.63 39.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.372 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 10.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.433 0.635 . . . . 0.0 110.747 -177.246 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' THR . . . . . 1.039 HG21 HD22 ' A' ' 132' ' ' LEU . 63.0 p -113.54 -13.49 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.259 174.314 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -112.33 102.47 10.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.625 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -72.36 -16.92 61.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.614 0.245 . . . . 0.0 111.147 -174.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.43 -54.69 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.691 0.281 . . . . 0.0 110.688 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 p -67.39 -27.17 66.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.902 0.382 . . . . 0.0 110.693 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.1 t80 -62.52 -38.88 91.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.361 173.494 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.4 m -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.268 0.556 . . . . 0.0 110.175 179.146 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -15.26 62.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.901 -177.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 47.5 p -56.85 -38.49 72.75 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.706 0.288 . . . . 0.0 111.425 -178.464 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.8 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.54 -35.26 73.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.661 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -57.39 -51.36 69.71 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.204 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.98 -52.2 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.285 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.8 mt-10 -57.25 -45.28 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.742 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -57.87 -39.5 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.0 110.326 -176.545 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.7 mt -61.44 -45.48 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.049 178.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 8.0 mp -71.54 -20.01 62.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 94.6 mtt180 -79.24 -42.45 25.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.628 0.252 . . . . 0.0 111.1 178.148 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.9 m -80.03 -28.87 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.508 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 55.4 mttm -98.09 -82.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.293 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.62 -71.0 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.612 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -87.16 61.46 6.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 111.22 -175.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.695 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 21.5 mm-40 -105.67 -168.22 1.42 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.415 179.143 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.9 -62.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.229 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -150.41 139.47 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.837 177.191 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mt -115.03 99.16 51.91 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.415 -177.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.61 ' HG2' HG12 ' A' ' 176' ' ' ILE . 6.5 Cg_endo -88.47 125.26 1.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.453 2.768 . . . . 0.0 112.743 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.14 161.22 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.51 ' HG ' ' HG2' ' A' ' 153' ' ' GLN . 4.1 tt -148.59 129.81 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 174.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 HD12 ' A' ' 91' ' ' LEU . 20.2 t -91.26 113.53 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 0.0 110.282 -178.263 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.24 112.32 39.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.661 -177.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.3 134.93 13.49 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.983 175.291 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 13.0 t-20 -124.53 173.45 8.46 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.262 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 31.7 mmtm 68.89 23.94 6.6 Favored 'General case' 0 CA--C 1.521 -0.144 0 O-C-N 123.662 0.601 . . . . 0.0 110.73 -173.525 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.9 m -67.53 -2.49 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 176.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.84 -28.7 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 1.039 HD22 HG21 ' A' ' 96' ' ' THR . 8.5 mp -64.26 -45.05 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.406 175.2 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 65.27 -77.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.023 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.74 -23.27 58.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.929 0.395 . . . . 0.0 111.082 -175.023 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.757 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 41.8 mtt180 -85.12 17.76 2.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.291 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -61.16 114.49 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.618 ' H ' ' HA ' ' A' ' 96' ' ' THR . 46.7 mt-30 -104.8 -13.45 15.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 -179.623 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 109.6 45.82 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 169.6 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.02 118.24 5.08 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.124 1.883 . . . . 0.0 111.329 177.538 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -27.35 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 21.3 mp0 -56.91 -48.96 76.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.766 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.14 -29.71 34.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -61.52 -49.11 78.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.54 176.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -65.97 -39.97 90.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.055 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.8 t -54.67 -43.98 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.167 -177.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -60.47 -50.54 73.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.498 0.19 . . . . 0.0 111.506 176.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -58.12 -43.7 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.86 -39.66 94.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.42 -34.94 75.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -178.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -80.97 -13.26 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.63 31.2 24.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.404 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.07 -177.57 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 111.077 179.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.51 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -103.15 144.82 30.81 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.091 177.686 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.403 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 87.0 t80 -115.17 113.75 24.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.683 173.433 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 168' ' ' VAL . 2.2 p -139.52 128.98 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.402 177.43 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.07 160.83 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.584 -174.38 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.6 p -132.82 129.99 39.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.017 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.8 p -108.09 119.97 41.0 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.718 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.533 ' HB3' ' N2 ' ' A' ' 500' ' ' GNP . . . -94.06 -11.65 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.511 -172.427 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -74.94 -29.26 60.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.364 0.602 . . . . 0.0 110.121 178.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -116.59 -12.11 10.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 63.79 80.88 0.22 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.136 -175.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.32 131.07 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.249 175.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 66.82 13.42 9.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.694 0.797 . . . . 0.0 111.831 -177.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.87 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.573 0.225 . . . . 0.0 110.956 -176.041 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 5.5 p-10 -71.43 -24.17 61.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.126 0.489 . . . . 0.0 110.555 178.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -58.58 -47.53 83.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.544 -177.48 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.437 HG12 HG13 ' A' ' 155' ' ' VAL . 35.2 m -69.17 -30.29 45.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.522 -176.535 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -70.98 -47.69 57.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.865 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.99 -39.83 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.291 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.23 -50.71 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.437 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.9 tm? -59.12 -46.43 88.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.725 178.222 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 66.9 mtm -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.617 0.246 . . . . 0.0 111.373 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.507 ' NH1' ' HE ' ' A' ' 177' ' ' ARG . 3.1 mmm180 -65.56 -43.76 88.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.491 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 5.5 mt-10 -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.602 175.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.61 HG12 ' HG2' ' A' ' 122' ' ' PRO . 64.1 mt -60.26 -39.52 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -178.638 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.507 ' HE ' ' NH1' ' A' ' 174' ' ' ARG . 7.2 ptt180 -66.59 -31.73 72.62 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.155 -179.095 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.7 m -69.92 -33.72 72.53 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.133 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.5 mptt -66.54 -48.44 69.7 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.485 176.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -65.36 -26.0 67.82 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.8 mtm -86.14 -20.02 29.26 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.344 174.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.9 m 62.4 34.95 15.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.599 177.141 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.16 109.57 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.506 179.053 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.07 -6.18 42.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.664 -179.183 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.208 -0.357 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 10.9 p -85.04 53.89 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.611 -177.468 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -55.79 -61.28 2.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.328 -178.274 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.544 ' O ' HG12 ' B' ' 398' ' ' ILE . 15.7 m -81.83 -34.58 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.265 -178.806 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.467 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 46.7 mt-30 -57.83 -34.91 70.18 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 -177.899 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.14 -55.64 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.197 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.6 91.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.02 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 394' ' ' THR . 47.9 mm -63.12 -51.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.802 0.334 . . . . 0.0 110.787 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' B' ' 402' ' ' ILE . 9.6 mtpm? -61.89 -39.36 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.475 -177.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -65.03 -41.54 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.388 176.194 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' B' ' 439' ' ' LEU . 2.7 tp10 -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.369 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.713 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.6 mt -53.56 -53.12 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.472 174.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' B' ' 406' ' ' GLU . 26.6 mmt180 -62.99 -35.46 80.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 -178.547 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD3' ' OE1' ' B' ' 401' ' ' GLU . 68.2 ttt180 -59.38 -46.54 88.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.635 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.5 mm-40 -72.21 -34.14 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.411 -179.603 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' B' ' 403' ' ' ARG . 38.0 mt-10 -60.12 -45.18 93.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 175.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.63 -47.38 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 177.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 49.3 mt -57.34 -52.16 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.116 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.696 HD23 HG13 ' B' ' 432' ' ' VAL . 0.5 OUTLIER -62.17 -42.39 99.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.622 179.165 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.531 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 52.7 t30 -59.21 -56.49 21.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.0 m -61.12 -43.19 99.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.735 -177.01 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' B' ' 429' ' ' LEU . 13.0 mt -59.1 -51.99 67.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.052 177.779 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 0.9 OUTLIER -66.93 -31.04 71.35 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.708 -177.529 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 55.0 mtm180 -64.76 -45.77 84.98 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.61 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.29 -38.55 85.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.965 -177.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 97.2 mt -62.2 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.245 -179.147 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.54 -10.22 59.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.57 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -88.05 5.8 84.35 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.406 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.3 14.77 58.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.042 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.4 mt -102.61 128.05 55.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -151.64 147.76 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.54 0.686 . . . . 0.0 111.8 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.723 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 16.2 t70 -150.21 171.24 17.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.805 -178.437 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 8.8 mp -70.53 -31.44 68.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.709 0.766 . . . . 0.0 109.688 173.396 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -63.73 -35.13 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.138 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.9 pptp? -71.16 -42.06 69.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.583 -174.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.62 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.8 pt-20 -67.52 -41.16 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 110.305 -175.204 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 15.6 mm-40 -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.926 179.476 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 432' ' ' VAL . 22.7 tpt180 -67.05 -41.97 85.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 -177.703 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 412' ' ' LEU . 5.9 mp -54.63 -53.24 57.32 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 123.108 0.255 . . . . 0.0 111.262 176.806 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 89.7 m95 -63.15 -30.12 71.33 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.386 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.632 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 64.3 mt-10 -66.16 -56.56 10.8 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.853 175.401 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.696 HG13 HD23 ' B' ' 409' ' ' LEU . 2.4 p -64.65 -33.57 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 -179.355 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -56.03 -51.93 66.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.418 174.597 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.632 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 3.5 ptm180 -67.09 -26.68 66.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.125 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 32.4 mt -77.78 -40.5 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.327 177.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.53 -40.74 83.8 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 177.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -74.92 -33.43 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.74 -39.29 93.38 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.238 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.713 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.3 OUTLIER -61.01 -38.65 86.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.059 177.436 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.45 -49.02 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 176.456 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.502 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.4 OUTLIER -61.87 -44.93 95.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.741 179.943 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.449 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.0 tp -64.06 -40.48 96.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.98 -7.21 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.016 0.436 . . . . 0.0 110.816 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.502 ' HB2' HH11 ' B' ' 441' ' ' ARG . 42.5 tt0 -94.44 -26.35 16.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 178.237 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.81 -178.408 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.698 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.636 ' N ' HD22 ' A' ' 184' ' ' ASN . . . . . . . . 0 N--CA 1.485 1.913 0 N-CA-C 112.064 -0.414 . . . . 0.0 112.064 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.66 128.5 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.279 0.561 . . . . 0.0 111.024 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -151.17 -49.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.077 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -141.67 23.63 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.171 0.51 . . . . 0.0 110.556 178.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.91 -13.72 33.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.316 -174.081 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -96.21 7.07 47.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.46 0.648 . . . . 0.0 110.56 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 32.4 tp -130.45 127.69 39.75 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.565 179.064 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -137.22 141.53 42.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.518 -177.292 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -116.39 131.4 56.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 172.754 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.14 117.96 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.606 0.717 . . . . 0.0 110.178 177.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.408 HD12 ' CE1' ' A' ' 89' ' ' PHE . 59.7 mt -108.99 122.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.897 -177.807 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.727 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 18.6 mmt -81.16 122.89 27.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.539 174.714 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 90' ' ' LEU . 26.8 m -96.52 155.99 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 111.171 -177.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.52 160.9 26.5 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.6 m -134.75 -71.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.728 0.264 . . . . 0.0 110.656 178.772 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.06 -66.38 1.81 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.875 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.64 2.97 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.082 177.835 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 27' ' ' LYS . 60.0 t 67.54 99.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.35 0.595 . . . . 0.0 111.051 -178.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 28' ' ' SER . . . -57.54 -60.61 8.69 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.805 176.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 22.2 pttm 58.39 -16.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.152 1.781 . . . . 0.0 115.197 170.467 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 26' ' ' GLY . 5.7 m -90.21 -12.68 37.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.043 0.449 . . . . 0.0 110.774 -177.816 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.68 -48.97 34.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.533 -178.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.72 -34.28 76.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.682 -172.337 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' MET . 18.4 p -67.94 -39.52 83.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.294 -176.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -68.37 -40.91 81.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.772 177.543 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.5 mm100 -61.81 -37.6 85.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.008 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.98 -36.56 80.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.987 -176.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.435 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 7.7 ptp -78.37 -50.44 11.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.572 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 89.7 m-85 -89.46 -86.43 0.19 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.377 -178.395 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 30.5 t70 163.01 -36.09 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.086 0.866 . . . . 0.0 109.956 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.12 162.74 13.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.909 -171.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 59.8 t80 -75.75 132.16 40.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.083 -169.102 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.7 p -89.02 131.94 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.194 176.705 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.39 -33.53 3.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.826 -177.11 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -119.66 93.09 3.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.105 0.478 . . . . 0.0 110.921 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -171.29 98.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.28 174.407 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.9 mm-40 -114.54 -35.35 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.184 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' CD ' ' H ' ' A' ' 44' ' ' GLU . 31.7 Cg_exo -59.52 95.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.382 1.388 . . . . 0.0 112.592 176.091 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 3.0 p -131.64 27.51 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -75.09 -57.46 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -176.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -126.14 17.19 7.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.453 -177.259 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.33 165.97 10.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.473 -175.281 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -153.58 150.99 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.154 0.502 . . . . 0.0 110.245 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -139.79 126.68 20.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.026 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -96.33 156.19 16.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.203 0.525 . . . . 0.0 111.445 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 51.5 tptt -134.66 127.81 31.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.016 177.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.28 122.36 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 153.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.7 p -125.92 115.29 42.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.516 0.674 . . . . 0.0 110.686 177.219 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.42 99.06 11.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.585 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 72.79 -51.21 0.71 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.286 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.03 -64.22 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.758 -1.21 . . . . 0.0 114.764 -170.031 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 pt-20 -97.21 144.7 26.77 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 117.654 0.727 . . . . 0.0 111.724 -172.637 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 124.96 25.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.475 -177.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -108.05 143.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.444 -175.249 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.1 135.44 53.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 0.0 110.438 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.1 125.98 65.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.6 -178.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.58 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 8.1 m-20 -90.95 121.05 32.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.313 178.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.7 mt -108.12 125.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 82' ' ' TYR . 33.4 tp -131.02 139.39 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.119 0.485 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 29.5 t70 -111.29 153.33 26.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 p -130.17 153.66 48.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -170.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 134.58 50.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.861 170.742 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -128.44 25.37 4.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.552 -175.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -74.06 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 111.907 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.86 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.37 -68.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.016 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 75.8 m-85 -83.09 54.02 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.831 -174.299 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.07 66.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.234 0.54 . . . . 0.0 110.022 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.44 -13.71 53.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.866 178.701 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 75' ' ' TYR . 50.2 mt -93.3 -30.24 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.072 0.463 . . . . 0.0 110.334 178.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -88.24 -60.65 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 -178.237 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -56.68 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.761 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 90.9 m-20 -59.24 -35.41 73.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 m-85 -77.32 -22.89 51.23 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.024 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 13.5 m-30 -64.52 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.257 -177.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.37 -37.09 74.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -171.285 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -112.1 44.0 1.49 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.376 -173.77 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.18 138.56 10.09 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.018 175.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.0 mp0 -79.59 -65.56 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 110.236 178.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.13 146.23 18.09 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.929 -173.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' HB2' HD23 ' A' ' 123' ' ' LEU . 91.1 m-85 -132.2 131.63 42.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.1 mt -103.47 115.44 30.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.84 105.67 17.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 172.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 128' ' ' ASN . 60.8 t -117.07 113.13 41.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.129 -176.256 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 36.5 p90 -126.25 148.83 49.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.449 -177.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . 1.017 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -84.87 143.59 28.94 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.633 HG21 HH21 ' A' ' 136' ' ' ARG . 0.2 OUTLIER -74.07 7.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.957 0.408 . . . . 0.0 111.301 -177.49 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 135' ' ' ARG . 21.0 p -117.56 -6.04 11.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.232 175.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 1.017 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 20.5 mm-40 -106.47 101.81 11.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -177.706 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -69.49 -25.48 64.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.705 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -56.55 -54.3 47.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 3.8 m -66.3 -34.54 78.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.789 -177.114 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.19 -42.59 88.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.256 0.55 . . . . 0.0 110.62 -179.163 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.93 -15.76 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.177 -176.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -55.55 -45.43 77.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.509 -178.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.33 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.593 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.76 -39.11 84.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.3 -46.65 79.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.54 0.209 . . . . 0.0 110.464 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.33 -56.98 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.38 179.255 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 32.0 mt-10 -63.94 -42.17 97.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.027 -176.602 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -63.35 -37.08 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.281 -178.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.48 -46.33 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.192 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.29 -7.9 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -76.36 -30.56 57.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 176.432 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 115' ' ' LYS . 19.9 m -115.14 0.37 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.868 -176.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 83' ' ' PHE . 13.0 mmmm -129.4 -149.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.556 -176.45 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.77 11.54 3.14 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.567 0.747 . . . . 0.0 112.384 173.087 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.8 31.93 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.377 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.51 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 2.9 pt-20 -129.15 -164.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.477 -173.064 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.5 -59.43 2.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.737 -179.524 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HG2' ' HD2' ' A' ' 179' ' ' LYS . 56.0 tptt -163.04 134.82 5.11 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.75 0.309 . . . . 0.0 110.85 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 115' ' ' LYS . 54.9 mt -95.47 109.54 46.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.728 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HG3' ' HG3' ' A' ' 179' ' ' LYS . 2.6 Cg_exo -76.04 108.1 2.61 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 176.699 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 89' ' ' PHE . 69.8 mt -103.74 152.01 22.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.565 178.454 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 125' ' ' VAL . 5.8 tp -150.96 129.03 11.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.834 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.596 ' N ' HD12 ' A' ' 124' ' ' LEU . 25.4 t -103.14 123.03 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.975 179.177 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.09 133.89 65.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -175.669 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.58 107.14 3.32 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.842 176.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' SER . 9.8 t30 -95.08 155.13 16.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.585 0.231 . . . . 0.0 110.895 -176.384 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HA ' ' C6 ' ' A' ' 500' ' ' GNP . 21.8 tptm 67.52 24.64 8.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.285 175.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.3 m -74.29 47.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -121.41 -14.2 8.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.747 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.34 -44.73 64.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.539 -179.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.63 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.397 176.609 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.59 -33.83 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.679 0.276 . . . . 0.0 111.513 -174.166 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 96' ' ' THR . 64.6 mtt180 -89.41 8.48 30.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.669 -176.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.633 HH21 HG21 ' A' ' 95' ' ' ILE . 26.8 ttm180 -56.36 112.88 1.37 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.558 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.85 -36.46 19.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.219 -174.247 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.5 p -106.45 123.95 37.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 43.7 Cg_exo -56.85 120.1 7.8 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 111.883 179.424 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -75.07 -16.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.307 0.575 . . . . 0.0 109.616 -177.632 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.05 -50.05 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.18 178.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 9.0 pt-20 -76.87 -29.6 55.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.225 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.0 81.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.412 176.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.6 mtp180 -61.15 -47.8 84.53 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 174.235 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.535 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 7.8 t -68.0 -21.78 65.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.948 -175.598 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.501 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 46.9 mmtt -66.56 -50.65 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.677 174.748 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -59.51 -36.62 76.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.403 0.62 . . . . 0.0 109.727 173.621 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 45.1 tt0 -61.01 -47.44 86.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.051 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 145' ' ' SER . 45.2 mt-10 -60.52 -41.27 94.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 111.288 177.895 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -81.07 -9.39 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.796 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.64 31.68 32.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.005 177.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.469 HG23 ' HB1' ' A' ' 147' ' ' ALA . 12.5 m -124.21 178.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.621 0.248 . . . . 0.0 110.883 178.759 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.528 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.4 pt20 -92.36 156.83 16.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 78.3 t80 -130.58 119.26 22.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.018 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.41 133.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.765 -176.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.3 p -132.31 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.322 0.582 . . . . 0.0 111.502 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.472 ' HA ' ' O6 ' ' A' ' 500' ' ' GNP . 34.0 t -130.57 118.39 20.96 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.424 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.9 -18.93 60.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.525 -176.079 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -78.22 -48.68 15.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.981 0.419 . . . . 0.0 110.455 -178.201 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.8 p -81.71 -18.25 45.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.633 178.023 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 63.4 67.73 0.64 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.17 178.118 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.96 136.9 46.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.559 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 72.5 -2.73 2.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.05 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 59.4 t -66.98 -35.64 75.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.271 0.558 . . . . 0.0 109.67 179.384 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.46 -36.51 79.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -72.53 -53.65 11.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.539 -173.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.27 -35.74 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 45.6 m-85 -74.03 -55.64 5.89 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.042 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.534 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 20.8 m-85 -61.59 -39.6 91.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.425 -175.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.63 -50.95 71.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.679 0.276 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 176' ' ' ILE . 34.4 tp -64.6 -40.26 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 178.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 58.1 mtp -61.18 -33.1 72.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.258 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 3.6 mmt-85 -68.04 -48.74 64.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 175.185 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 7.3 mm-40 -60.27 -33.73 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.7 mt -57.64 -35.5 50.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 110.109 175.466 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -70.7 -44.3 67.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.7 m -55.87 -42.37 75.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.243 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 55.9 mmtt -68.36 -39.65 81.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.518 -178.462 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.93 -22.34 59.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.701 ' HA ' ' HB3' ' A' ' 184' ' ' ASN . 72.6 mtm -85.72 -1.79 57.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 177.592 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.7 t -56.34 -66.05 0.5 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.4 75.58 3.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.053 0.93 . . . . 0.0 108.79 171.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 181' ' ' MET . 2.0 t-20 -166.14 -43.18 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.296 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 C--O 1.248 0.998 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.813 168.422 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 1.7 p -88.51 56.77 3.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.974 0.416 . . . . 0.0 110.279 178.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.88 -67.24 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.325 -175.045 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.451 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.4 m -90.2 -23.72 21.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.145 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -58.75 -31.39 68.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.712 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.48 69.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.58 94.55 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.126 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' B' ' 442' ' ' LYS . 47.4 mm -60.15 -46.88 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 0.0 110.79 177.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.3 mttt -65.44 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -36.99 85.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.661 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.43 ' HB3' HD21 ' B' ' 439' ' ' LEU . 42.5 mt-10 -63.46 -46.81 84.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.128 174.015 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' B' ' 439' ' ' LEU . 85.5 mt -53.69 -52.69 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 176.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 66.8 mtp180 -56.77 -40.65 76.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.117 0.484 . . . . 0.0 110.824 178.484 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -58.81 -46.54 87.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 30.6 mm-40 -76.79 -30.88 56.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.7 mt-10 -59.85 -39.61 85.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.019 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.59 -50.01 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 175.387 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.588 ' HB2' HG21 ' B' ' 432' ' ' VAL . 55.7 mt -60.66 -46.09 91.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.709 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 48' ' ' ALA . 1.8 tm? -61.1 -43.91 98.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 109.226 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.69 -46.75 88.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.269 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -59.73 -55.52 33.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.638 -174.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -60.16 -38.17 82.35 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.75 0.31 . . . . 0.0 111.125 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.88 -44.62 96.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.85 -178.136 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.99 -37.09 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.38 -47.86 82.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.24 0.543 . . . . 0.0 111.163 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' B' ' 421' ' ' LYS . 48.5 mt -75.09 -25.71 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.997 -174.654 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.07 -9.64 7.94 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.65 13.02 49.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.315 177.378 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.01 41.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.57 144.07 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -177.206 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.652 ' HA ' HD22 ' B' ' 416' ' ' LEU . 17.7 pttm -157.73 157.58 33.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.401 0.619 . . . . 0.0 110.909 169.593 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.5 t70 -147.61 162.88 38.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.288 -178.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.76 -29.86 69.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.784 0.325 . . . . 0.0 111.167 -173.392 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 22.2 t -68.05 -32.29 72.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.656 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 16.8 mmtt -74.05 -52.39 12.83 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 -178.624 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 34.7 mt-10 -58.03 -46.99 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.643 -173.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.58 -36.76 76.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 178.234 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.577 ' O ' HG12 ' B' ' 432' ' ' VAL . 21.0 tpp180 -63.91 -42.2 97.47 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.386 178.581 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.505 HD11 HD12 ' B' ' 416' ' ' LEU . 8.2 mt -55.38 -51.85 65.49 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.718 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.714 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 16.2 m95 -66.37 -40.93 90.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.148 178.535 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 435' ' ' ILE . 36.3 tt0 -59.59 -56.12 25.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -176.819 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.588 HG21 ' HB2' ' B' ' 408' ' ' LEU . 7.3 p -63.11 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.323 0.582 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 21.9 tp60 -54.24 -52.98 59.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.415 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.99 -32.79 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.094 -178.727 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.4 mt -62.1 -41.97 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.306 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.3 -47.93 82.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.841 178.291 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.465 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.6 t -73.77 -32.83 63.99 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 -177.276 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.57 -37.48 86.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.207 0.527 . . . . 0.0 109.998 176.246 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.59 HD12 ' CD ' ' B' ' 442' ' ' LYS . 1.4 mp -62.78 -34.91 78.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.153 176.596 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.55 -38.57 84.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.039 174.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -68.54 -41.27 80.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.407 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.59 ' CD ' HD12 ' B' ' 439' ' ' LEU . 49.3 mtpt -57.43 -37.13 72.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.739 177.109 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.457 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.7 tp -63.81 -42.55 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.611 178.294 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 444' ' ' ARG . 50.7 mtp85 -81.92 -2.79 52.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.25 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 -11.82 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.723 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.191 -177.241 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.473 ' C6 ' ' HA ' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HG2' HD12 ' A' ' 12' ' ' LEU . 35.5 mt-30 -89.73 97.33 11.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.781 0.324 . . . . 0.0 110.443 -178.616 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -119.54 -42.11 2.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 110.535 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -116.31 31.36 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.952 0.406 . . . . 0.0 110.535 -178.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD12 ' HG2' ' A' ' 9' ' ' GLN . 89.2 mt -108.61 -13.66 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -172.201 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.34 -1.66 41.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.226 0.536 . . . . 0.0 111.488 -177.475 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -128.41 125.74 39.21 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.609 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -128.54 143.34 50.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.39 -177.265 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 62.9 mmtt -118.2 113.04 20.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.113 178.823 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG22 HD23 ' A' ' 172' ' ' LEU . 82.9 t -113.38 106.3 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.33 0.586 . . . . 0.0 110.302 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -102.35 115.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 48.1 ttm -93.02 120.95 33.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.37 175.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -177.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.43 152.32 6.44 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -97.1 -69.55 0.75 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.909 0.355 . . . . 0.0 110.743 -173.238 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.57 -84.75 0.49 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.806 179.296 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -126.29 -51.96 0.16 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.222 178.014 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 24' ' ' GLY . 2.7 m 57.02 -2.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.092 1.357 . . . . 0.0 113.792 176.247 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.656 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 77.28 23.14 69.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.594 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 18.7 ptpt -58.6 -46.1 87.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.5 m -68.15 -33.33 74.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.684 -176.279 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.74 -45.38 58.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.682 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.681 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.4 mt -61.12 -43.88 98.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.74 -176.04 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.447 ' HB ' HG21 ' A' ' 66' ' ' ILE . 70.1 p -70.68 -45.57 64.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.484 -175.335 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -55.55 -40.37 71.82 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.165 0.291 . . . . 0.0 110.449 179.156 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.26 -41.61 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.33 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' HE2' HG21 ' A' ' 64' ' ' ILE . 65.5 t80 -72.62 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.619 179.228 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.32 -46.24 91.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.227 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 82.5 m-85 -110.45 -89.72 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.466 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 26.5 t70 165.36 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.809 0.693 . . . . 0.0 109.707 -172.417 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.5 153.14 18.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -173.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -75.77 123.69 26.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.366 -172.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.12 126.93 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.023 176.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.23 -50.17 3.13 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.751 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -115.82 122.9 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.436 -174.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.36 121.94 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.768 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.1 mt-10 -87.95 -68.47 0.13 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.525 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.768 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 22.1 Cg_exo -63.15 -85.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.584 2.189 . . . . 0.0 114.4 -163.349 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.568 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 37.7 p 49.15 50.87 17.26 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.187 0.595 . . . . 0.0 111.642 -172.024 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -87.0 -54.34 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.537 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.55 27.37 7.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.043 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' A' ' 46' ' ' THR . 1.7 m-20 -75.11 96.36 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.282 -175.643 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 78.4 p -106.34 171.43 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 168.586 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -164.82 127.2 2.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -80.88 106.24 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.935 177.383 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 64' ' ' ILE . 51.4 tptt -99.47 128.67 45.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.082 179.122 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -91.07 124.63 35.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.377 175.381 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -133.58 139.65 48.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 171.4 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.31 107.89 22.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.692 0.758 . . . . 0.0 110.135 -177.649 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.645 HD12 HH21 ' A' ' 177' ' ' ARG . 88.5 mt -89.26 98.92 12.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.631 -175.299 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 58.76 16.43 4.43 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.523 172.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.11 -40.96 0.92 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.54 -1.314 . . . . 0.0 114.412 176.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.93 139.83 34.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.658 0.729 . . . . 0.0 110.832 -175.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.46 109.05 14.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 109.795 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.5 t -109.09 150.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.28 -170.705 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -114.33 127.58 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.279 0.562 . . . . 0.0 111.409 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 53' ' ' LYS . 5.2 tt -117.54 139.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.961 178.332 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 38.1 t0 -121.03 147.12 45.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 50' ' ' SER . 96.9 mt -131.46 140.08 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.792 0.33 . . . . 0.0 111.747 -171.181 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -118.74 122.8 43.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 173.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 30.1 t70 -88.68 103.17 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 174.623 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -75.91 143.48 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -168.065 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.24 114.35 26.43 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.872 171.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 71.24 2.95 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.61 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -146.05 159.04 43.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.808 0.337 . . . . 0.0 111.096 -179.679 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.46 -24.05 61.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.109 -179.055 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.487 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.5 m-20 -58.14 -78.96 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.585 0.707 . . . . 0.0 111.779 -176.261 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.559 ' H ' HD13 ' A' ' 72' ' ' LEU . 90.7 m-85 -82.08 62.06 5.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.736 -174.316 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.98 -20.27 62.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.39 175.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.974 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -62.93 -25.33 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.558 177.337 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.644 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 20.2 mt -78.03 -26.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.13 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -92.89 -65.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.612 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.36 -53.01 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -174.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.974 HD22 ' HA ' ' A' ' 77' ' ' ALA . 63.1 m-80 -77.11 -18.34 58.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.812 -170.156 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 31.8 m-85 -93.36 -36.6 12.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 122.189 -0.32 . . . . 0.0 111.769 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 6.7 m-30 -58.17 -25.38 61.46 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.575 0.226 . . . . 0.0 111.172 -179.083 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HD3' ' OE2' ' B' ' 426' ' ' GLU . 4.6 mmp_? -47.89 -63.1 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.502 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -89.55 17.39 6.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.513 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.05 159.12 33.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.885 178.148 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 176' ' ' ILE . 10.1 tp10 -115.96 -75.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.741 0.305 . . . . 0.0 110.352 -177.834 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.53 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.67 150.01 16.72 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.511 -174.655 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -129.36 134.96 48.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.0 111.638 -176.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 124' ' ' LEU . 79.7 mt -101.87 111.19 23.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.079 174.624 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 104' ' ' THR . 9.9 mp -81.23 105.58 12.54 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.612 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.849 HG22 ' HB ' ' A' ' 126' ' ' VAL . 64.1 t -118.33 139.56 45.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.544 -175.066 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 44.7 p90 -152.17 155.83 38.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.96 177.363 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 m -89.45 144.52 25.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -71.95 5.46 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.967 0.413 . . . . 0.0 111.411 -179.77 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 132' ' ' LEU . 16.7 p -107.54 -34.31 7.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 110.338 172.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -77.88 93.27 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.785 177.576 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.18 -28.82 62.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.441 -173.129 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.43 -45.17 88.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 p -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.923 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -65.66 -47.62 74.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.354 177.213 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.6 m -67.99 -35.41 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.492 178.609 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.77 63.23 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.567 -175.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 38.3 p -56.83 -44.82 82.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.9 78.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.52 . . . . 0.0 110.427 178.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.92 -36.47 72.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.108 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.495 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.7 m-85 -57.09 -40.65 77.37 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.065 177.705 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -55.02 -52.51 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.626 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -32.22 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.855 -179.24 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.365 0.603 . . . . 0.0 109.845 179.205 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.3 mt -71.87 -52.45 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.355 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.5 mp -64.95 -15.41 62.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.984 0.421 . . . . 0.0 111.687 -179.432 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -71.1 -30.24 66.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.584 177.167 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.65 -15.46 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.984 -175.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HB2' ' OE2' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -154.37 132.41 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.349 . . . . 0.0 110.533 -179.361 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.81 -39.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.731 -178.352 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.09 69.58 9.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.557 0.694 . . . . 0.0 110.408 -176.26 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.631 ' OE2' ' HB2' ' A' ' 115' ' ' LYS . 9.4 pt-20 -149.86 -158.24 0.9 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.67 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 60.1 m-20 -60.2 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.523 0.201 . . . . 0.0 111.156 -177.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 13.1 mmtp -168.87 122.58 0.83 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.121 178.651 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 79.5 mt -78.86 113.25 33.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.163 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 5.0 Cg_endo -87.48 127.83 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.595 2.863 . . . . 0.0 112.377 177.585 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.85 133.8 54.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.236 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -126.68 121.97 33.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.154 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -89.85 121.54 40.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.086 -178.439 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.849 ' HB ' HG22 ' A' ' 92' ' ' VAL . 41.0 t -120.33 126.07 74.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -174.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 139.88 15.2 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 173.858 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.552 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 57.9 t30 -133.83 161.67 34.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.289 0.545 . . . . 0.0 110.335 -178.345 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 71.51 24.24 3.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.737 0.648 . . . . 0.0 110.907 -176.354 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -61.29 -8.22 3.61 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.05 -16.28 63.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.327 0.584 . . . . 0.0 110.324 174.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 96' ' ' THR . 69.5 mt -81.16 50.05 1.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.79 -29.46 68.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.92 -7.36 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.143 -0.348 . . . . 0.0 111.673 -177.56 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 96' ' ' THR . 94.2 mtt180 -123.77 3.65 8.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.663 -0.415 . . . . 0.0 112.045 -176.256 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -54.56 114.26 1.61 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.919 0.39 . . . . 0.0 110.638 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -91.67 -29.74 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.365 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.6 p -114.94 121.56 35.13 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.874 178.467 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.83 122.6 12.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.509 2.14 . . . . 0.0 111.148 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -72.24 -7.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 -174.647 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -56.16 -60.12 3.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.118 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -19.45 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.07 0.462 . . . . 0.0 110.911 -178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.15 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.106 174.76 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 46.5 mtp180 -67.16 -37.07 83.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.847 175.394 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 21.0 t -59.7 -44.93 93.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.838 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -54.78 -48.87 72.14 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.7 -38.94 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.873 176.589 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.98 -34.58 75.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 -179.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 44.2 mt-10 -63.9 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 178.363 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -89.89 -6.95 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -177.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.71 25.38 50.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.736 177.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.457 HG23 ' HB1' ' A' ' 147' ' ' ALA . 19.7 m -117.01 -178.88 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-O 120.953 0.406 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -100.19 151.48 21.38 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 -178.469 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 74.7 t80 -122.75 128.48 50.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.804 175.558 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.4 133.76 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.292 -178.755 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -91.52 136.33 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.9 p -128.88 154.95 46.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.124 0.488 . . . . 0.0 110.978 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -135.93 100.1 4.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.136 174.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.681 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -59.95 -21.02 60.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.27 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -63.41 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.838 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.4 p -112.6 3.12 16.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.192 -178.052 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.62 20.49 12.26 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.675 -177.135 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.2 118.05 15.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.726 -176.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 66.73 8.14 5.72 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.284 175.005 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.28 -46.26 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 111.676 -174.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -75.9 -22.72 55.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.217 -176.438 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -60.19 -53.67 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.145 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.57 -25.96 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.011 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -74.41 -42.42 59.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 177.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.95 -41.09 78.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -48.6 81.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.405 HD23 HG22 ' A' ' 17' ' ' VAL . 43.3 tp -65.05 -37.14 86.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.0 mtm -66.78 -31.08 71.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.308 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -69.0 -39.11 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.621 177.672 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.562 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.0 mm-40 -53.6 -48.5 69.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 111.375 172.527 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.5 mt -55.96 -34.95 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.645 HH21 HD12 ' A' ' 57' ' ' LEU . 82.9 mtt-85 -68.97 -50.17 51.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -60.79 -36.38 78.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.8 mptt -64.56 -46.93 80.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.265 178.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.4 mmtt -74.1 -33.12 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.852 -175.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.4 mtm -85.21 -23.49 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.695 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 9.4 t 63.93 -161.24 0.29 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.915 0.759 . . . . 0.0 110.117 -177.468 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -96.2 -18.51 20.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -178.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -87.19 36.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.936 -177.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 185' ' ' LYS . 3.8 ptmm? . . . . . 0 C--O 1.252 1.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.681 178.212 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.6 p -137.34 18.24 2.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -177.177 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 3.4 mp0 -54.22 -52.43 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.328 -179.684 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.523 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.4 m -75.65 -37.41 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.28 -38.35 71.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.546 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.957 178.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.88 -40.85 99.78 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.893 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.627 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.3 mm -54.12 -51.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.678 0.275 . . . . 0.0 110.753 177.721 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.2 mttm -57.34 -41.55 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.696 -178.28 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.34 -35.62 73.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.58 0.229 . . . . 0.0 111.465 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.7 mt-10 -70.26 -34.56 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.867 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 398' ' ' ILE . 59.0 mt -57.94 -50.47 77.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 171.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 70.0 mtm180 -57.33 -37.21 72.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.458 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.0 ttm180 -58.99 -49.36 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 177.124 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 52.0 mm-40 -72.85 -35.92 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.59 ' HG2' HD21 ' B' ' 436' ' ' LEU . 64.0 mt-10 -60.77 -38.08 84.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.699 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.24 -49.86 25.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.162 176.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 84.9 mt -57.61 -46.1 84.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -178.764 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.555 HD13 HG13 ' B' ' 432' ' ' VAL . 29.9 tp -72.36 -33.04 66.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.369 -178.551 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.67 -41.5 99.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.107 175.835 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 8.9 t -60.66 -53.54 56.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 1.8 mm? -52.25 -40.95 62.38 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 175.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -62.33 -44.57 96.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.152 177.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -77.46 -51.07 11.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.9 -46.47 89.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 0.0 111.794 -176.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.702 ' HG ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 mp -67.73 -25.64 65.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 -174.427 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -57.84 -24.63 58.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.803 0.335 . . . . 0.0 110.492 174.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.45 -12.48 77.12 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.181 -176.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.53 0.23 62.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.677 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.8 116.42 7.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.63 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.568 ' HA ' ' HD3' ' B' ' 425' ' ' LYS . 19.3 ptpt -121.12 142.42 49.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 122.236 1.017 . . . . 0.0 113.567 -174.426 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.667 ' O ' ' HG2' ' B' ' 425' ' ' LYS . 11.1 t70 -150.18 167.73 26.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.218 -1.81 . . . . 0.0 106.534 173.445 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.97 -31.5 66.34 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 118.926 0.784 . . . . 0.0 109.13 171.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 5.9 m -66.0 -32.37 73.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.846 -177.407 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HD2' ' HG ' ' B' ' 416' ' ' LEU . 20.0 pttp -63.58 -46.7 84.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 111.122 -174.219 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.592 ' N ' ' HG3' ' B' ' 425' ' ' LYS . 1.7 pt-20 -72.45 -40.13 67.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -177.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.2 mt-10 -62.1 -45.46 93.38 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.039 176.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -71.16 -29.21 64.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.046 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 1.3 mt -56.45 -50.34 72.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 O-C-N 123.345 0.403 . . . . 0.0 109.975 175.649 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.602 ' CZ3' ' HD2' ' A' ' 16' ' ' LYS . 80.3 m95 -71.2 -32.09 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.534 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.719 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 45.6 mt-10 -63.8 -56.63 14.0 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.063 -178.627 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.555 HG13 HD13 ' B' ' 409' ' ' LEU . 7.7 p -65.08 -33.46 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 109.953 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.293 177.061 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.719 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 0.4 OUTLIER -70.94 -27.36 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.471 -176.545 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' B' ' 432' ' ' VAL . 31.5 mt -75.0 -39.55 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.054 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.59 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.4 tm? -57.66 -49.34 76.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.1 t -70.44 -36.27 73.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 -178.081 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.55 -37.56 87.05 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.979 177.263 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.834 ' HA ' ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -65.28 -41.1 94.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.321 -178.896 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.9 -29.67 68.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.313 177.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.466 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.5 OUTLIER -68.24 -43.18 78.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.834 ' HD3' ' HA ' ' B' ' 439' ' ' LEU . 25.8 mtpp -58.44 -31.49 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.78 175.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.5 tm? -68.6 -40.25 80.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.077 178.885 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -81.47 -3.52 53.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 177.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.466 ' HB2' HH11 ' B' ' 441' ' ' ARG . 6.0 tp10 -91.92 -17.25 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.974 175.631 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.984 -177.333 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.656 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.442 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.55 124.32 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.349 . . . . 0.0 110.06 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.4 t -72.03 -54.27 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.858 -173.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -83.7 81.45 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.287 0.565 . . . . 0.0 110.892 -172.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.7 mt -125.0 6.57 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.729 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -84.11 6.53 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.135 -172.718 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.3 108.73 20.45 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -116.25 148.82 40.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.462 . . . . 0.0 111.928 -173.238 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -131.45 107.16 8.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.715 174.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -118.05 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.526 0.679 . . . . 0.0 110.322 -178.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 75.0 mt -104.68 114.95 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.983 -178.088 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.42 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 55.8 ttm -85.96 127.81 34.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 175.685 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.78 166.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.035 0.445 . . . . 0.0 111.3 -176.191 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.46 161.44 22.92 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.759 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 m -82.6 17.94 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.367 0.603 . . . . 0.0 110.447 -176.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.52 -70.45 0.51 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.376 -176.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.56 -99.8 0.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.454 -0.403 . . . . 0.0 113.37 -177.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m 50.42 18.11 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.036 1.334 . . . . 0.0 113.656 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.26 19.53 78.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.158 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 16.3 ttpp -84.81 57.38 4.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.024 0.916 . . . . 0.0 110.046 -173.7 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.591 ' HB2' ' O1A' ' A' ' 500' ' ' GNP . 4.9 m -156.65 -34.23 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.914 -1.494 . . . . 0.0 109.487 167.797 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.77 -55.16 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 178.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.39 -37.79 78.87 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.603 ' HB ' HG21 ' A' ' 66' ' ' ILE . 53.1 p -66.87 -48.67 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.045 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CB ' HG21 ' A' ' 40' ' ' VAL . 87.4 mt -67.72 -30.77 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.733 179.407 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 13.0 mm100 -58.52 -43.19 89.1 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HE2' HG21 ' A' ' 64' ' ' ILE . 59.5 t80 -72.69 -23.52 60.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.354 . . . . 0.0 111.086 -177.169 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 65.8 mtm -96.26 -43.97 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.449 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -88.46 -13.61 39.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.082 -179.333 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 72.8 -39.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.964 0.79 . . . . 0.0 112.031 177.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -97.43 172.41 7.78 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 122.401 0.28 . . . . 0.0 110.938 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -75.5 145.4 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -177.466 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 32' ' ' LEU . 60.6 t -99.61 132.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.624 -171.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -87.91 -68.45 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 175.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -134.62 128.21 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 111.75 -179.591 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -156.34 91.57 1.26 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 38.7 tt0 -71.6 -53.6 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -172.648 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 32.3 Cg_exo -58.55 96.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.07 1.847 . . . . 0.0 112.785 -175.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 15.8 p -144.76 27.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.166 177.431 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -86.75 -56.24 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 110.691 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.83 27.46 6.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.626 178.304 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.86 107.4 18.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.696 -170.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 30.8 m -93.26 166.77 12.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.612 171.603 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 40.3 t80 -154.71 141.91 19.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.161 178.433 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 52' ' ' ARG . 38.0 mtp-105 -100.99 121.25 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.306 -175.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 54.5 tptt -107.31 133.42 51.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.036 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -99.87 127.94 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.174 176.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.92 163.44 37.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.39 113.33 43.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.669 176.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.6 94.99 9.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.591 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 23.07 76.71 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.245 1.591 . . . . 0.0 114.054 -176.578 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.26 -52.66 0.82 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.14 -1.029 . . . . 0.0 114.349 173.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.16 147.48 26.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.566 0.683 . . . . 0.0 111.899 -170.138 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.41 114.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.599 ' HA ' ' HB1' ' A' ' 13' ' ' ALA . 10.0 t -106.65 141.4 21.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.831 -171.36 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.47 117.65 32.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -119.39 113.16 40.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.333 0.587 . . . . 0.0 109.599 174.717 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.77 131.13 45.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.836 -178.754 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 ' HB ' ' A' ' 31' ' ' THR . 37.6 mm -107.54 128.62 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.093 -174.346 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.0 tp -109.83 122.89 48.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 176.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 t0 -94.76 112.75 24.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.24 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 p -86.74 116.61 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.447 . . . . 0.0 112.073 -175.029 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.65 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 174.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 88.44 0.91 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.195 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -157.99 165.43 35.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -178.917 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -96.22 -3.55 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.458 178.119 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.2 m-20 -57.13 -70.05 0.14 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.253 176.684 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.678 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.0 m-85 -83.02 -52.53 6.58 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.775 -176.409 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.04 -38.35 0.33 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.592 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -56.55 -30.2 62.84 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.411 0.685 . . . . 0.0 112.207 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.52 -28.44 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.135 -178.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -93.86 -65.95 0.95 Allowed 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.461 178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -74.84 -52.34 11.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.245 0.545 . . . . 0.0 111.62 -172.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.828 ' ND2' ' HD3' ' B' ' 421' ' ' LYS . 15.1 m120 -72.01 -16.28 62.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.392 -171.201 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.2 m-85 -91.53 -33.57 15.11 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.086 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.1 m-30 -59.25 -28.46 66.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -169.232 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -60.79 -42.7 98.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.249 -0.181 . . . . 0.0 111.446 -173.131 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.668 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 19.9 m -84.89 12.97 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.823 0.344 . . . . 0.0 111.811 -177.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -156.95 29.57 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 174.581 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 3.5 tp10 -164.88 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.084 0.442 . . . . 0.0 110.18 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.08 138.44 14.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.944 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.72 137.86 49.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 0.0 111.932 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -108.1 112.88 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.912 176.861 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.3 106.27 18.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.284 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' A' ' 126' ' ' VAL . 58.3 t -112.04 132.17 61.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.077 -175.286 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.4 164.98 29.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.731 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -99.97 142.67 31.14 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.555 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.65 13.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 111.207 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 132' ' ' LEU . 30.4 p -126.53 -30.39 2.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 175.136 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -82.53 97.19 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.58 -29.99 70.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.066 -174.054 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -68.48 -31.54 70.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.809 0.338 . . . . 0.0 110.412 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -73.77 -31.2 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.075 177.734 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.93 -47.95 73.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -68.08 -28.0 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.166 0.508 . . . . 0.0 110.781 178.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.36 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.462 -177.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 29.1 p -55.8 -40.79 73.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 111.521 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.25 98.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 176.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.43 -43.79 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -60.62 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.203 177.415 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -57.47 -53.92 52.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.754 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.95 -34.26 77.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.963 -176.925 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.47 -38.32 83.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.924 0.392 . . . . 0.0 110.576 178.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 121' ' ' ILE . 65.5 mt -66.64 -40.18 85.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.896 -178.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.23 -10.35 59.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.064 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -76.96 -45.64 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.172 0.51 . . . . 0.0 110.056 174.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.7 m -89.05 -27.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 -173.647 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.495 ' CG ' ' HG3' ' A' ' 118' ' ' GLU . 45.7 mttm -103.14 -98.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.274 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.14 -52.63 0.47 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.865 0.866 . . . . 0.0 113.092 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -82.27 7.95 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 111.565 -177.275 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.495 ' HG3' ' CG ' ' A' ' 115' ' ' LYS . 6.4 mm-40 -82.38 -178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.99 -177.448 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.73 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 178.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.424 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.2 mmmt -144.25 138.99 28.38 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -178.852 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 111' ' ' ILE . 36.9 mt -113.08 108.46 53.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.329 -178.167 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 9.4 Cg_endo -89.05 111.28 0.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.599 2.866 . . . . 0.0 112.42 177.629 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.36 121.62 44.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.736 177.336 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.687 ' HB3' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -106.21 121.84 44.99 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.24 118.15 34.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.287 0.565 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.596 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -111.52 122.93 66.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.88 -175.523 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.0 109.33 3.68 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.42 162.93 12.54 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.628 -0.336 . . . . 0.0 110.568 -176.334 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.61 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 10.9 mmtt 72.6 29.47 2.02 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.771 0.669 . . . . 0.0 111.57 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.1 m -63.81 -3.32 2.32 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 178.615 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.73 -5.53 43.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.313 0.578 . . . . 0.0 110.265 173.514 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 96' ' ' THR . 84.3 mt -99.6 35.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.075 173.635 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.78 -22.62 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -91.91 -25.63 18.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -103.62 17.1 24.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.513 -173.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.588 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 40.6 ttp180 -48.55 113.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.789 0.681 . . . . 0.0 111.228 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 21.7 tm0? -88.08 -40.62 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 126.46 28.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.019 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.588 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 69.4 Cg_exo -52.02 116.82 3.03 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.72 2.28 . . . . 0.0 111.81 178.508 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.9 OUTLIER -69.6 -18.83 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.34 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 1.9 mp0 -60.01 -52.15 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.588 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.442 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.9 pt-20 -70.38 -30.12 66.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.126 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.4 93.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.096 175.403 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 18.9 mtp180 -60.34 -47.18 87.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.112 172.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 7.7 t -63.42 -17.96 63.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.206 -177.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 51.0 mmtt -79.95 -40.79 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.866 175.795 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -63.71 -39.86 95.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 109.042 171.375 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 36.7 tt0 -59.62 -43.99 93.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.615 173.699 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.52 -41.79 81.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.178 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -88.44 -6.21 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.803 -176.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.38 39.55 42.6 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.997 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.477 HG23 ' HB1' ' A' ' 147' ' ' ALA . 31.1 m -121.16 -173.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.189 0.519 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.637 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 1.7 pm0 -95.68 145.73 25.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.462 178.274 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 68.3 t80 -126.82 121.34 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.969 177.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 40.0 t -127.78 135.58 62.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.89 143.71 28.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.349 175.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 16.4 p -131.36 136.34 47.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.2 0.524 . . . . 0.0 110.875 -179.361 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 m -121.82 100.93 7.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.102 178.0 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.79 -18.36 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -73.78 -17.28 61.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.214 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.5 p -132.55 -0.83 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -176.39 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 61.94 30.8 18.17 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.851 0.834 . . . . 0.0 110.212 -178.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.59 128.35 38.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.618 -177.507 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 68.78 6.71 5.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.333 173.663 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.69 -37.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 110.807 -177.119 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.83 -29.78 56.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.61 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.46 -43.14 97.19 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -175.068 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.13 -30.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.642 0.258 . . . . 0.0 111.59 -175.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -75.17 -43.11 54.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.612 0.244 . . . . 0.0 110.725 178.354 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -64.89 -45.66 85.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.165 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.09 -48.87 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 124' ' ' LEU . 39.7 tp -65.13 -32.84 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 -178.688 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.0 mtm -65.31 -36.35 83.78 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.842 176.786 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 45.8 mmm-85 -70.09 -34.84 73.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.456 177.413 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.632 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.5 mm-40 -56.68 -43.29 80.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 172.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.36 -33.69 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 178.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 74.2 mtt180 -61.82 -50.64 71.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.977 0.418 . . . . 0.0 110.146 177.484 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 19.0 m -60.8 -44.58 96.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.878 -178.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.5 mptt -62.9 -45.38 92.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.412 -178.719 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.31 -35.89 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.407 179.319 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.0 mtm -88.11 0.54 55.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.105 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 183' ' ' GLU . 73.9 m -67.99 76.89 0.22 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.671 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 182' ' ' SER . 31.0 tt0 174.86 71.01 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.946 0.898 . . . . 0.0 109.033 168.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.68 79.3 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -177.442 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt . . . . . 0 N--CA 1.442 -0.84 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.03 177.903 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 50.6 m -81.5 59.4 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.328 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.84 -40.02 72.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 398' ' ' ILE . 6.2 m -77.17 -43.64 33.15 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 -179.833 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.6 mt-30 -62.66 -32.85 73.98 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.066 177.088 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -53.2 -55.05 27.35 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.136 0.273 . . . . 0.0 110.635 177.554 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.84 94.19 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 178.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' B' ' 442' ' ' LYS . 41.8 mm -63.22 -50.2 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.509 178.041 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.2 mttt -60.04 -36.67 77.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.9 mt-10 -58.75 -46.73 86.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.789 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.72 -45.53 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.132 178.684 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' B' ' 443' ' ' LEU . 98.1 mt -55.86 -53.41 38.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.566 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.476 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.9 mmm180 -64.11 -30.58 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 26.8 ttt180 -66.09 -51.38 58.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.137 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.412 ' OE1' HD12 ' B' ' 408' ' ' LEU . 71.3 mm-40 -75.76 -27.29 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -176.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.476 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -59.18 -46.87 87.27 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.84 -44.41 73.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.677 178.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.7 mt -58.51 -50.73 72.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.967 -179.343 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.545 HD11 ' OH ' ' A' ' 82' ' ' TYR . 18.0 tp -66.8 -33.67 76.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.788 178.229 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 57.6 t30 -66.46 -46.28 76.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.114 179.166 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 411' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 9.3 t -59.74 -43.79 94.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.252 -178.197 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' B' ' 428' ' ' ARG . 71.9 mt -60.72 -41.09 94.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.413 175.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.702 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 22.8 m-70 -58.97 -45.74 89.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.729 176.029 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 76.0 mtm180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.489 0.493 . . . . 0.0 111.524 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.69 -43.77 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.315 0.579 . . . . 0.0 111.139 -176.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 81' ' ' ASN . 10.8 mp -78.56 -24.15 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.513 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.702 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 28.3 mt-30 -55.45 -33.01 63.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 178.561 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.84 0.11 72.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.743 -177.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.95 -13.12 59.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.766 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.2 mt -79.15 115.52 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.954 0.407 . . . . 0.0 110.313 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.828 ' HD3' ' ND2' ' A' ' 81' ' ' ASN . 55.3 pttt -142.99 154.23 43.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 177.29 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.577 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 15.8 t70 -148.21 164.36 34.19 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.748 -177.372 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.1 -34.47 74.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 19.1 t -64.79 -32.38 74.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' B' ' 416' ' ' LEU . 19.4 mmtp -71.96 -53.25 13.64 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.015 0.435 . . . . 0.0 110.523 -175.695 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' B' ' 429' ' ' LEU . 15.4 mt-10 -60.97 -44.64 97.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.119 -172.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.82 -33.02 62.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.916 -177.148 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.611 ' O ' HG12 ' B' ' 432' ' ' VAL . 28.2 tpt180 -69.6 -34.67 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.043 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.674 HD11 HD22 ' B' ' 416' ' ' LEU . 17.3 mt -55.94 -57.03 13.81 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.335 177.689 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.668 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 80.9 m95 -64.41 -30.43 71.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.491 179.685 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 41.7 tt0 -66.5 -55.58 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.481 0.182 . . . . 0.0 111.285 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.9 p -65.07 -32.94 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.549 . . . . 0.0 109.892 177.755 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 28.8 tp60 -54.45 -51.51 64.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.519 176.87 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -68.74 -27.02 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.373 -177.376 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -72.12 -46.87 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.455 176.639 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.3 -41.04 79.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.268 179.794 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 11.9 t -74.2 -35.63 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -177.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -63.59 -35.14 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.361 0.601 . . . . 0.0 109.598 176.007 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.933 HD23 ' HD3' ' B' ' 442' ' ' LYS . 84.1 mt -66.45 -34.8 78.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.417 178.191 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.57 -38.88 82.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.923 HH11 ' HG3' ' B' ' 445' ' ' GLU . 6.8 tmm_? -64.45 -47.41 79.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 176.554 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.933 ' HD3' HD23 ' B' ' 439' ' ' LEU . 48.2 mtpt -58.57 -40.22 82.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.23 -179.225 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' B' ' 402' ' ' ILE . 64.7 tp -60.43 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.987 0.423 . . . . 0.0 111.2 -179.3 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -81.6 -5.96 58.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -178.417 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.923 ' HG3' HH11 ' B' ' 441' ' ' ARG . 2.1 tm-20 -83.96 -29.67 26.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.238 -178.108 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.011 -177.988 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.591 ' O1A' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -155.49 -75.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -157.22 -63.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.611 177.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.477 ' HB2' ' HD2' ' A' ' 180' ' ' LYS . 4.3 p -77.1 10.45 2.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.368 0.604 . . . . 0.0 111.281 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 177' ' ' ARG . 82.4 mt -101.56 -6.53 23.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.008 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.76 59.38 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.459 0.647 . . . . 0.0 111.209 -177.084 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.35 115.04 12.01 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.062 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -102.72 114.27 28.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 117.42 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.526 -176.118 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 66' ' ' ILE . 96.3 t -125.38 107.12 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.935 176.701 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' A' ' 89' ' ' PHE . 61.4 mt -98.55 121.57 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 90' ' ' LEU . 89.1 mmm -89.98 104.95 17.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.553 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 90' ' ' LEU . 22.9 m -95.41 162.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -178.403 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.61 147.44 4.98 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.571 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.512 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 16.3 t -60.47 -44.99 95.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.305 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.73 -88.9 0.99 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.898 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . -175.19 63.13 0.1 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.493 178.29 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 128' ' ' ASN . 21.3 t -55.61 -57.07 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 178.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.51 0.73 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.898 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 56.7 mtpt -85.3 -77.2 0.29 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.614 0.245 . . . . 0.0 111.285 -176.272 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -74.76 -10.15 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.854 -177.465 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.53 -48.65 47.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.753 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.1 mt -73.03 -30.97 64.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.42 -175.509 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' MET . 20.4 p -63.71 -44.12 94.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.245 . . . . 0.0 111.238 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.67 -39.6 94.43 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.317 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.3 mm100 -59.35 -40.41 86.29 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-O 121.2 0.524 . . . . 0.0 110.459 177.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -71.17 -17.35 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.546 -178.112 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' THR . 86.3 mtp -93.76 -47.71 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.143 -0.348 . . . . 0.0 111.819 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 65.5 m-85 -114.9 -11.72 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.634 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER 68.25 0.57 2.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.838 0.455 . . . . 0.0 111.32 -173.138 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' HH11 ' A' ' 162' ' ' ARG . 16.1 mm-40 -100.3 161.29 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.383 179.389 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -76.65 135.46 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.321 179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.57 118.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.374 0.607 . . . . 0.0 110.741 -179.041 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.82 -55.12 3.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.661 -177.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.69 113.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -177.072 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.562 ' HE2' ' HH ' ' A' ' 51' ' ' TYR . 38.9 t80 -172.22 111.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.266 176.726 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.617 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 41.4 mt-10 -98.69 -56.44 0.17 Allowed Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.322 179.533 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 79.6 Cg_exo -49.57 116.56 2.39 Favored 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.207 2.605 . . . . 0.0 114.782 -171.062 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.84 25.28 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 172.514 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -85.64 -51.33 6.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.449 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -125.42 17.81 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.684 -179.103 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 172.29 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.129 0.49 . . . . 0.0 111.482 -177.212 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -153.31 156.4 38.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' HH ' ' HE2' ' A' ' 43' ' ' TYR . 85.3 m-85 -112.57 108.21 17.21 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.485 -175.198 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' B' ' 441' ' ' ARG . 3.8 ptm180 -90.04 106.58 18.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.861 0.839 . . . . 0.0 110.039 176.641 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -126.16 128.29 47.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.993 -176.324 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -76.1 130.24 38.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.482 . . . . 0.0 110.174 177.415 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 62' ' ' VAL . 5.0 m -129.14 141.5 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.499 174.781 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 5.9 p -122.78 106.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.626 0.727 . . . . 0.0 110.737 -177.249 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -89.69 99.43 12.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.025 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 55.59 5.62 0.15 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 113.415 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.34 -32.42 0.64 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.361 -0.924 . . . . 0.0 113.123 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 11.9 pt-20 -80.29 113.06 18.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.007 0.403 . . . . 0.0 110.937 -178.603 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.88 101.29 8.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 109.985 174.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 55' ' ' VAL . 32.8 m -116.75 -173.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.27 -179.452 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -128.92 150.62 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.311 -179.595 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.9 tt -106.73 141.24 22.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.688 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.52 109.82 19.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -175.553 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 17' ' ' VAL . 39.0 mm -109.62 127.47 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.386 -171.582 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 134.26 53.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.924 175.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -89.77 -172.72 3.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.567 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 p -143.31 141.02 30.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.024 0.44 . . . . 0.0 111.519 -179.067 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.7 124.41 29.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.675 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -85.27 50.56 4.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.215 -176.906 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.86 163.71 37.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.72 7.68 46.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.849 0.356 . . . . 0.0 111.388 -175.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.4 m-20 -74.46 -69.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.866 172.764 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 80.3 m-85 -78.23 61.58 2.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.457 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -25.55 67.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.559 178.188 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.671 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.12 -7.17 27.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.535 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.62 -38.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -92.07 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.555 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.86 -48.7 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.317 0.58 . . . . 0.0 111.516 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.5 m-20 -64.58 -35.3 80.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.833 -171.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' B' ' 429' ' ' LEU . 2.4 m-85 -70.1 -29.0 65.85 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.482 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.6 m-30 -58.6 -27.07 64.31 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -175.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 1.8 tmm_? -62.02 -33.78 74.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.552 -172.726 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 23.3 t -111.92 20.2 17.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.566 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.3 172.14 37.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.35 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -120.68 -78.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.786 0.293 . . . . 0.0 110.355 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.26 18.6 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.038 -178.585 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 18' ' ' ILE . 72.4 m-85 -130.78 134.96 47.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.494 0.188 . . . . 0.0 110.716 -176.776 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -106.76 114.3 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.039 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.64 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.607 179.01 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -101.52 131.63 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 111.74 -176.242 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -144.85 172.65 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.216 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 p -118.63 157.55 27.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.27 13.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.741 179.17 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.614 HG21 HD13 ' A' ' 132' ' ' LEU . 4.8 p -119.0 -42.15 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 175.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.62 99.43 8.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.014 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.63 -20.98 49.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.035 178.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.54 -39.1 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.144 -178.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 p -67.8 -26.31 66.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.547 177.131 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -70.36 -32.3 69.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.231 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -67.21 -34.17 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.399 0.619 . . . . 0.0 110.01 174.871 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.57 -15.75 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.266 -175.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.9 p -58.17 -42.62 86.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.027 0.441 . . . . 0.0 110.499 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.64 84.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.03 -45.86 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 179.477 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.7 m-85 -58.84 -48.46 81.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.468 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -51.99 -51.3 58.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.489 -177.233 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.16 -33.92 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -66.95 -34.03 76.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.998 0.428 . . . . 0.0 110.474 176.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' PHE . 94.1 mt -64.57 -44.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.347 177.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.7 mp -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 111.038 177.893 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -79.26 -41.55 27.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 177.345 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.2 m -87.71 -26.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.577 -178.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 114' ' ' VAL . 38.6 mtmt -138.49 120.66 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.539 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.33 115.27 11.49 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.722 -0.391 . . . . 0.0 112.022 -176.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.87 18.81 4.07 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.005 174.089 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 118' ' ' GLU . 8.2 pt-20 -86.18 -46.73 10.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.595 0.236 . . . . 0.0 111.039 -178.612 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -135.09 -129.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.772 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 32.5 mmmt -133.36 106.63 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -176.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 111' ' ' ILE . 38.9 mt -93.61 111.39 52.26 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.934 -173.552 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 121' ' ' ILE . 12.2 Cg_endo -91.01 119.84 0.64 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.347 2.698 . . . . 0.0 112.516 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.76 122.88 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.852 177.49 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.863 HD13 ' HG2' ' A' ' 153' ' ' GLN . 13.9 tp -119.23 123.52 44.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.987 0.422 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.33 117.27 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.762 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.642 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.5 t -105.14 110.12 29.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.614 -176.011 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.26 98.32 2.36 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' OD1' HG12 ' A' ' 25' ' ' VAL . 7.9 p30 -105.24 -178.83 3.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.271 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 64.0 mmtt 63.88 23.7 13.45 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -174.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 95' ' ' ILE . 37.2 t -63.99 -1.22 1.38 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.567 -172.272 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.81 -18.07 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.429 0.633 . . . . 0.0 110.343 179.201 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.614 HD13 HG21 ' A' ' 96' ' ' THR . 35.1 mt -82.95 79.16 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.107 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.62 -11.99 28.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.568 176.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.935 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.0 pt-20 -98.59 -14.73 19.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.409 -177.291 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 90.0 mtt180 -127.46 16.27 7.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -172.464 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.606 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 60.8 ttp180 -60.94 113.84 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.368 -176.24 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 11.9 mm-40 -100.45 -22.7 14.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.339 -178.139 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 2.5 p -109.29 116.48 54.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.656 174.526 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 19.6 Cg_endo -59.26 118.84 5.79 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.424 2.083 . . . . 0.0 110.607 174.444 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -67.54 -8.83 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 -175.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.25 -51.02 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.586 174.628 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.3 pt-20 -70.83 -27.36 63.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.649 -178.724 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.28 66.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 177.302 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -67.53 -33.09 74.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 109.784 177.379 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -59.62 -51.38 70.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.087 176.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -55.9 -41.64 74.79 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 174.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.62 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.469 177.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.77 -29.95 67.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.77 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.65 -45.6 93.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -86.1 -21.21 27.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.532 -178.548 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.64 28.71 10.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.435 179.09 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.4 m -112.36 -177.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.498 0.189 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.863 ' HG2' HD13 ' A' ' 124' ' ' LEU . 14.3 pm0 -106.3 159.52 16.06 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.418 -178.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 46.3 t80 -131.61 124.38 29.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.059 178.498 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.46 128.29 65.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -177.576 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.36 137.04 32.7 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.265 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 164' ' ' ASN . 31.9 p -143.87 166.9 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.0 111.573 -175.469 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.3 t -143.95 133.23 23.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 173.133 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.493 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -96.45 -3.24 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.401 175.188 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.61 ' HB2' ' C2 ' ' A' ' 500' ' ' GNP . 22.2 tptm -87.09 -57.45 2.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.611 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.5 p -87.6 -7.79 57.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.669 178.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.437 HH11 ' HA ' ' A' ' 38' ' ' GLU . 85.7 mtm180 60.73 90.0 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.529 178.897 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -156.03 128.43 7.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.857 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.602 ' OD1' ' HE2' ' A' ' 167' ' ' LYS . 32.8 t30 72.46 9.27 5.76 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.151 0.907 . . . . 0.0 112.131 168.479 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 33' ' ' GLN . 55.4 t -63.84 -33.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.82 -173.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.11 -25.76 62.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.009 -173.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.602 ' HE2' ' OD1' ' A' ' 164' ' ' ASN . 19.9 ttmm -62.46 -52.4 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -174.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.501 HG11 HG13 ' A' ' 126' ' ' VAL . 27.0 m -57.91 -33.41 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.659 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.21 -56.65 4.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.926 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -63.55 -33.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.33 -51.18 69.92 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.809 176.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.7 tp -63.29 -41.02 98.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.354 0.597 . . . . 0.0 110.16 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.565 ' SD ' HD12 ' A' ' 64' ' ' ILE . 58.3 mtp -63.7 -33.16 75.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.405 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 10.4 mmm-85 -74.75 -34.71 62.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.126 177.89 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.27 -35.96 76.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 110.283 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 172' ' ' LEU . 70.4 mt -58.37 -28.23 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.07 178.711 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 70.5 mtt180 -61.42 -52.24 65.41 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.3 m -67.82 -36.88 81.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 -178.022 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.772 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -63.28 -55.86 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.594 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.477 ' HD2' ' HB2' ' A' ' 11' ' ' SER . 33.3 mmtm -73.13 -35.4 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.428 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.53 -20.13 54.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.189 178.781 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.3 m 65.12 -174.46 0.18 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.498 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -131.21 86.69 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.104 0.478 . . . . 0.0 110.557 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -97.74 77.49 2.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.691 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.316 -174.833 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' B' ' 396' ' ' ALA . 4.3 m -70.66 -40.09 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 49.74 -95.49 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.201 172.099 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.401 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 3.0 m -67.93 -45.14 75.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.931 0.396 . . . . 0.0 110.402 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.429 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 53.0 mt-30 -65.76 -29.14 69.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 178.68 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' B' ' 392' ' ' SER . . . -59.67 -50.88 72.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.696 -179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -64.11 -42.07 98.21 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.799 178.082 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.543 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.2 mm -59.11 -49.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.442 0.163 . . . . 0.0 111.328 179.019 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.3 mttt -62.27 -36.0 80.7 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -177.136 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.96 -42.22 94.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.345 176.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 397' ' ' GLY . 26.9 mt-10 -70.69 -31.57 68.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.2 mt -59.05 -50.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.64 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -59.78 -36.62 77.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 176.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 38.3 ttm180 -62.64 -45.9 90.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.533 176.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.523 ' HB2' HD23 ' B' ' 436' ' ' LEU . 34.2 mm-40 -70.2 -38.93 75.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.286 -179.042 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.0 mt-10 -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.627 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -57.83 -47.1 83.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.995 176.611 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.0 mt -59.65 -52.21 66.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' ' 48' ' ' ALA . 14.4 tp -64.76 -43.06 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.982 -179.303 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -57.07 -52.38 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.333 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.1 t -63.56 -47.84 79.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.486 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.461 ' O ' HD13 ' B' ' 416' ' ' LEU . 77.8 mt -58.31 -37.83 75.86 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.034 0.445 . . . . 0.0 110.804 177.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.11 -48.47 75.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -73.63 -40.43 63.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.463 -176.3 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.0 -53.63 54.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.37 0.605 . . . . 0.0 110.531 -177.13 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.754 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.9 mp -69.07 -26.73 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.076 -175.504 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.473 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.2 mt-30 -68.28 -21.38 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 175.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.64 5.25 53.15 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.383 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.7 5.7 62.82 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.411 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.754 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 47.6 mt -116.72 118.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.464 ' CB ' ' HG ' ' B' ' 416' ' ' LEU . 19.6 pttp -143.4 156.24 44.61 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.427 174.251 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.632 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.4 t70 -139.73 157.5 45.65 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.388 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.71 -29.91 70.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.956 0.407 . . . . 0.0 110.914 -176.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -66.53 -32.2 73.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.236 178.237 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.632 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 54.5 mmtt -73.07 -46.5 51.27 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.275 -176.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 35.1 mt-10 -62.4 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.988 -175.167 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.04 -41.31 67.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.985 -179.108 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 432' ' ' VAL . 5.7 mmt180 -64.01 -30.47 71.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.975 175.543 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 9.0 mt -56.25 -52.65 63.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.403 0.44 . . . . 0.0 110.155 174.325 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.529 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 65.7 m95 -61.55 -44.6 96.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.268 178.494 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.464 ' O ' HG13 ' B' ' 435' ' ' ILE . 47.0 mt-10 -60.04 -55.05 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.416 -176.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.672 HG21 ' HB2' ' B' ' 408' ' ' LEU . 11.5 p -62.93 -32.14 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 121.148 0.499 . . . . 0.0 110.457 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.517 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.1 tp60 -54.49 -56.33 19.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.398 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.94 -28.74 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.807 -179.288 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' B' ' 432' ' ' VAL . 82.3 mt -61.65 -45.52 98.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.792 175.507 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -57.14 -45.4 83.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.833 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.0 t -75.38 -37.5 60.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 -177.015 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.16 -34.87 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.441 0.638 . . . . 0.0 109.713 176.527 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.518 HD12 ' HB2' ' B' ' 442' ' ' LYS . 38.0 tp -70.33 -32.25 69.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.153 178.82 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.503 ' HE3' ' CD1' ' B' ' 436' ' ' LEU . 96.4 mttt -59.98 -38.24 81.97 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 109.486 171.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 5.0 tmt_? -64.06 -39.16 93.47 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.548 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.709 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 28.0 mtpp -63.62 -25.19 68.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.815 177.488 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.419 ' HA ' HG21 ' B' ' 398' ' ' ILE . 45.6 tp -67.2 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.176 0.513 . . . . 0.0 109.705 174.09 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -82.86 -3.15 56.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 110.683 175.416 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.709 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -87.33 -19.13 28.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.769 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.517 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.61 ' C2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.472 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.438 ' OE1' ' HB2' ' A' ' 12' ' ' LEU . 48.2 tp60 67.27 97.21 0.06 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.702 0.763 . . . . 0.0 111.634 178.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 m -139.38 -45.27 0.45 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.067 173.503 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.29 36.09 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.035 178.664 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HB2' ' OE1' ' A' ' 9' ' ' GLN . 40.0 mt -78.77 -26.84 44.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.108 -176.582 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.04 6.7 41.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.154 0.502 . . . . 0.0 111.513 -178.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.7 107.07 11.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.742 176.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.689 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 26.6 m-70 -111.35 121.96 46.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -171.666 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.716 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -104.51 122.3 45.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.825 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.29 131.12 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.125 0.488 . . . . 0.0 110.836 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.39 123.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.469 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 45.6 mtt -91.05 137.85 32.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.821 0.343 . . . . 0.0 110.549 176.118 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.7 157.12 23.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.229 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.57 -179.41 43.33 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.302 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t -93.2 68.29 4.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 -177.211 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 78.67 -61.68 3.96 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.877 177.905 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -96.72 -94.1 1.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.586 -176.777 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 24' ' ' GLY . 11.6 m 56.49 -38.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 126.22 1.808 . . . . 0.0 114.262 -177.158 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . 127.17 10.71 3.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.854 -176.543 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -65.86 -15.89 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 32' ' ' LEU . 61.3 m -96.1 -25.3 15.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 111.339 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -52.33 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.674 0.273 . . . . 0.0 111.716 -175.908 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.55 -40.39 94.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.054 -173.633 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' HG21 ' A' ' 66' ' ' ILE . 20.7 p -68.58 -43.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.629 0.252 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.64 -43.49 98.76 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.879 176.736 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.5 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 89.6 t80 -64.18 -25.89 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.253 -178.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.59 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 66.2 mtm -92.09 -48.77 6.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.899 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -83.61 -14.43 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.73 31.8 11.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.86 177.55 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 176.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.53 135.92 36.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.883 -176.645 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -86.41 132.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.8 -70.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.031 0.443 . . . . 0.0 110.165 -177.524 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.33 107.89 9.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 178.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -154.45 90.93 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.041 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 47.3 mt-10 -87.6 -51.78 0.41 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.145 -177.382 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 78.5 Cg_exo -52.0 112.5 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.35 2.033 . . . . 0.0 112.789 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -152.84 47.83 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.75 175.611 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 78' ' ' ILE . 35.6 ttpt -87.02 -56.7 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.563 -179.156 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.5 16.15 9.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.825 0.821 . . . . 0.0 108.798 174.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -82.21 79.73 8.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.662 -175.115 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -94.69 159.74 14.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.674 178.114 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -143.26 169.58 17.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 111.709 -175.8 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -123.37 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.298 -173.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 52.8 tptt -125.29 122.74 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -96.54 122.11 39.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.5 m -129.07 144.62 37.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.87 174.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.37 119.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 121.483 0.658 . . . . 0.0 110.279 178.32 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' A' ' 170' ' ' PHE . 91.0 mt -103.86 101.97 11.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.163 -176.523 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 69.08 -1.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.5 171.023 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.48 -24.78 1.36 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.948 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.12 135.39 44.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 117.352 0.576 . . . . 0.0 110.736 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.89 109.23 16.07 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.129 178.457 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.82 145.71 14.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.375 -177.499 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.38 129.01 50.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.264 0.554 . . . . 0.0 110.81 -175.629 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.8 tt -110.94 133.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.512 -177.337 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -103.0 118.19 36.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.342 -175.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 31' ' ' THR . 52.7 mt -109.56 123.0 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.185 0.517 . . . . 0.0 111.698 -171.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.33 117.1 26.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.504 176.712 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -97.49 108.34 21.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.196 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 78' ' ' ILE . 11.4 p -66.66 135.16 53.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.339 -177.658 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 125.05 24.14 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.794 177.43 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.697 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.82 76.14 2.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.409 179.75 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -165.11 166.15 19.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.367 0.267 . . . . 0.0 110.346 178.657 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -90.93 -14.49 31.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.995 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.3 m-20 -59.69 -71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 111.401 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.578 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.7 m-85 -85.59 64.81 8.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.655 -176.505 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.85 -18.39 62.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.357 176.258 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.85 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.05 -20.51 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 175.624 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.723 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 mt -92.51 -36.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -89.61 -65.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -177.407 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.61 -47.18 23.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.307 0.575 . . . . 0.0 111.55 -174.055 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.85 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 15.3 m120 -77.25 -17.25 58.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.673 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.723 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -80.35 -17.12 52.89 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.91 177.063 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -70.65 72.81 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.493 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.49 ' HG3' ' OE1' ' B' ' 426' ' ' GLU . 16.1 mmm180 -148.69 -71.81 0.2 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.77 177.327 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.8 m -78.77 21.74 0.4 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.907 -176.419 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.39 144.6 15.87 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 176.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.716 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 43.8 mm-40 -88.56 -70.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 -177.155 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.9 150.3 16.88 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.662 -173.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -124.01 135.3 53.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.646 HD23 ' HB3' ' A' ' 124' ' ' LEU . 62.3 mt -105.52 115.28 29.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -178.743 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 125' ' ' VAL . 34.8 mt -89.42 106.5 18.49 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 176.78 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' A' ' 126' ' ' VAL . 15.7 m -116.9 137.73 49.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.056 0.455 . . . . 0.0 111.65 -176.005 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 48.9 p90 -156.18 159.14 38.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.729 178.778 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.748 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 46.4 t -86.76 144.06 27.24 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.271 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -72.25 7.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.452 -178.775 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 135' ' ' ARG . 17.4 p -98.26 -22.59 16.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.055 171.268 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.748 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 23.4 mm-40 -96.77 94.38 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.429 -174.756 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -79.0 -18.82 53.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.074 0.464 . . . . 0.0 109.993 -179.068 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -64.23 -52.22 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.445 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -24.5 64.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.0 t80 -64.45 -43.48 94.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.596 174.247 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -71.48 -28.15 63.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.372 0.606 . . . . 0.0 109.981 177.243 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.53 -13.89 61.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.203 -179.176 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.451 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 40.6 p -55.1 -35.52 64.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.812 0.339 . . . . 0.0 111.597 -179.031 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.89 -47.11 86.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.306 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -63.02 -41.1 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.9 m-85 -57.01 -51.12 70.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.432 ' O ' HD13 ' A' ' 112' ' ' LEU . 4.1 ptm180 -68.11 -40.25 82.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.883 -177.85 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.61 -31.05 69.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 0.0 111.23 -177.654 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.1 -32.96 71.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.278 0.561 . . . . 0.0 109.669 177.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.7 mt -68.38 -46.76 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.455 175.83 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 108' ' ' ARG . 11.0 mp -64.12 -16.45 61.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 179.073 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.16 -41.82 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.855 0.36 . . . . 0.0 110.636 176.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.32 -23.39 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.939 0.4 . . . . 0.0 111.456 -176.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -124.33 105.97 9.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.203 178.775 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.33 11.52 1.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 178.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.25 24.6 4.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.596 0.712 . . . . 0.0 109.835 -176.88 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -175.63 3.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.135 -176.265 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.95 -75.82 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.239 0.543 . . . . 0.0 109.873 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 65.1 mmtt -151.37 131.42 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.744 178.278 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -92.48 107.77 26.29 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 123.287 0.367 . . . . 0.0 110.362 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 31.9 Cg_endo -92.32 126.56 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.271 2.647 . . . . 0.0 112.47 178.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.67 147.24 44.0 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 178.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.646 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.3 tp -135.04 119.13 17.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.072 0.463 . . . . 0.0 109.939 176.498 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 91' ' ' LEU . 17.8 t -88.62 117.07 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.046 -178.831 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.0 t -115.28 123.69 71.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.947 -174.681 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.17 113.35 4.03 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 176.514 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.546 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.6 m120 -91.82 154.68 18.74 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.775 0.288 . . . . 0.0 110.81 -176.352 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER 64.73 36.15 8.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.547 174.12 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 42.3 p -68.92 11.08 0.22 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.99 0.424 . . . . 0.0 112.018 -176.434 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 129' ' ' LYS . 39.2 t70 -79.82 -12.69 59.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.705 0.764 . . . . 0.0 109.465 174.508 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 52.1 mt -83.03 52.15 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.94 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.96 -28.27 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.908 0.385 . . . . 0.0 111.144 -177.617 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.42 -6.54 46.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -178.815 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.5 mtp180 -121.52 2.07 10.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.491 -174.737 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HD2' HG23 ' A' ' 140' ' ' VAL . 34.8 ttp180 -61.7 114.32 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 0.0 111.267 -176.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.42 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 71.8 mm-40 -101.09 -20.25 15.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.664 -179.433 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.5 t -90.94 110.16 40.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.515 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.677 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.0 Cg_exo -60.47 103.24 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 121.347 1.364 . . . . 0.0 109.76 174.412 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 136' ' ' ARG . 2.3 t -56.83 -25.56 22.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.424 -172.698 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.18 -43.36 82.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.441 178.04 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.677 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 18.1 pt-20 -74.96 -26.14 59.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -70.06 -39.94 75.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.0 110.508 176.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.19 -32.13 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.319 177.64 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.1 t -75.78 -29.48 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.925 0.869 . . . . 0.0 108.792 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 13.8 tppt? -65.35 -50.51 65.3 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 114.365 -1.288 . . . . 0.0 110.056 175.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -64.07 -39.8 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 176.828 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.53 -46.74 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.717 177.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.91 -35.21 79.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.755 -177.468 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 43.0 m0 -81.24 -19.8 42.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.282 -177.39 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.22 29.45 19.8 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.91 -178.736 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.49 HG23 ' HB1' ' A' ' 147' ' ' ALA . 15.1 m -122.67 -179.41 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.607 0.242 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.425 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.2 pt20 -104.51 147.1 27.98 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -117.28 122.52 44.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.707 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 38.3 t -127.14 130.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.433 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.58 132.76 33.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.303 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.1 p -115.6 128.16 55.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.31 0.576 . . . . 0.0 111.694 -175.339 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.623 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 5.2 m -103.76 92.03 4.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.447 177.754 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.616 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -72.65 5.7 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.293 -174.785 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -87.76 -12.33 45.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.45 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.0 t -147.36 12.33 1.05 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.571 -179.355 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 60.0 27.38 16.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.745 -178.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -70.28 114.33 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.329 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 71.81 0.29 3.46 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.125 0.89 . . . . 0.0 111.869 179.225 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.77 -46.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.452 -178.45 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.59 -35.3 67.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.213 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -56.13 -50.03 72.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.129 -177.583 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.05 -27.57 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.113 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.7 -45.92 41.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.573 0.225 . . . . 0.0 110.589 176.724 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.569 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 49.3 m-85 -68.2 -45.09 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.207 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -50.65 69.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.992 178.486 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.05 -38.88 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.242 -178.426 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.569 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 15.7 ptp -67.67 -29.94 69.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.264 -179.153 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 28.3 mmt180 -63.41 -47.74 80.71 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 173.889 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.6 mm-40 -52.31 -42.67 63.99 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.503 175.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.9 mt -55.93 -37.25 47.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 179.692 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.689 ' HG3' ' HE1' ' A' ' 15' ' ' HIS . 45.3 mtp85 -71.96 -52.47 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 179.46 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.1 m -61.22 -35.06 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.025 -177.496 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.4 mptt -62.68 -50.11 72.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 176.223 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 73.3 mmtt -67.22 -25.21 65.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 0.0 111.011 -178.724 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 65.5 mtt -85.52 -2.87 58.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.7 m 62.17 21.65 12.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.597 0.561 . . . . 0.0 111.69 178.823 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.61 104.99 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.418 0.627 . . . . 0.0 110.369 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -105.73 26.17 9.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.995 178.756 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.981 -178.368 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.68 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 45.2 m -63.51 -36.58 84.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.709 0.254 . . . . 0.0 111.1 178.338 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 59.71 -93.47 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.576 0.547 . . . . 0.0 110.987 178.564 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.496 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.0 m -83.57 -26.91 29.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 0.0 109.639 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.68 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 70.1 mt-30 -64.94 -25.7 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.266 176.369 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.66 68.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.756 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.11 94.12 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.71 176.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -61.74 -48.15 90.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.48 0.181 . . . . 0.0 110.677 178.113 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -57.39 -43.73 83.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.085 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.75 -36.35 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.144 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 24.9 mm-40 -80.03 -34.1 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' B' ' 443' ' ' LEU . 87.1 mt -57.74 -52.4 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 174.406 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -66.89 -29.09 68.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.651 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 58.7 ttp85 -62.99 -47.78 81.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.3 mm-40 -69.43 -37.77 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.251 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' B' ' 436' ' ' LEU . 40.8 mt-10 -61.35 -42.12 98.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.385 176.238 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.1 -47.76 78.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.788 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 69.7 mt -59.49 -50.86 72.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.561 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.505 HD13 HG13 ' B' ' 432' ' ' VAL . 56.2 tp -64.41 -34.53 78.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.616 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' B' ' 413' ' ' HIS . 64.6 t30 -67.7 -33.96 75.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.654 178.047 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 47.4 t -59.08 -53.7 55.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.765 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.454 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -60.44 -33.44 72.55 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.225 0.536 . . . . 0.0 110.683 175.456 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 18.2 m170 -69.22 -32.78 72.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.923 -177.878 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -77.39 -53.23 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.11 -41.28 92.25 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.682 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 81' ' ' ASN . 9.3 mp -66.46 -25.51 66.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.517 -174.508 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 76.9 mt-30 -58.82 -21.6 56.76 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.672 0.273 . . . . 0.0 111.614 -178.838 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.38 -7.19 88.65 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 92.63 40.77 4.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.19 -178.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.1 mt -114.04 121.9 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -179.01 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -120.57 144.07 48.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.654 0.74 . . . . 0.0 111.522 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.662 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.5 t70 -148.78 152.64 36.89 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.275 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -62.26 -26.55 68.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.82 0.736 . . . . 0.0 110.091 176.401 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 9.9 m -66.44 -36.12 82.0 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.518 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.744 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.39 -37.21 71.57 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.473 -174.033 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.744 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.7 pt-20 -73.57 -38.51 65.17 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.311 -177.198 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 49.6 mt-10 -61.17 -51.2 70.05 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.631 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.617 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.6 mmt180 -65.06 -42.53 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.637 -179.109 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 7.1 mt -54.85 -57.32 12.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 123.378 0.424 . . . . 0.0 111.85 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.645 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 71.9 m95 -64.92 -45.05 87.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -175.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' B' ' 435' ' ' ILE . 7.5 mm-40 -60.54 -53.97 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -177.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' B' ' 435' ' ' ILE . 13.8 p -63.63 -34.2 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.008 0.432 . . . . 0.0 110.396 -179.69 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.31 -46.6 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.602 174.314 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.645 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 13.9 mtt180 -70.73 -33.4 70.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.128 178.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.9 mt -65.87 -43.46 93.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.034 176.637 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 35.0 tp -58.22 -45.57 87.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 174.876 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.575 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.386 -177.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.87 -41.92 91.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 172.451 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.648 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.9 mm? -61.63 -40.35 94.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.322 176.184 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 73.1 mmtt -60.22 -41.61 93.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 176.87 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.06 -43.33 92.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.246 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.5 -35.59 72.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 178.186 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.7 tp -65.74 -40.06 91.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.484 177.489 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -82.34 -6.22 59.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.88 -36.19 11.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 -177.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.582 -179.672 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.616 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -96.34 83.54 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.012 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -99.85 -62.15 1.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.679 -176.044 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -131.93 26.66 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 110.375 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.3 mt -72.13 -15.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.53 -175.525 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -95.51 0.42 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 111.468 -179.546 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.03 109.87 15.56 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.302 0.572 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -118.38 122.05 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.045 -176.278 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 29.6 mmtp -115.2 113.27 23.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 179.265 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -116.28 100.49 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.646 0.736 . . . . 0.0 110.004 175.244 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.68 126.43 42.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 -175.667 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 29.9 mtt -83.95 115.88 22.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.68 177.28 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.82 138.31 21.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.038 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.84 -174.02 33.19 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -178.627 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.611 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 28.6 m -119.72 -80.6 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.108 0.454 . . . . 0.0 111.494 -178.671 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.95 -37.12 0.45 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.163 -175.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 -132.35 7.71 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 -177.57 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t 62.71 -56.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.073 0.949 . . . . 0.0 111.556 -172.068 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -56.12 0.69 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -175.399 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB ' ' A' ' 92' ' ' VAL . 29.6 mmmt 69.46 -52.66 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.192 1.397 . . . . 0.0 111.784 173.494 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 m -82.45 -19.51 38.78 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.931 -170.575 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.57 -36.37 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.033 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.6 mp -74.6 -46.42 38.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -177.37 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.626 HG21 HG21 ' A' ' 66' ' ' ILE . 26.6 p -70.91 -29.83 66.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -176.65 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.16 -38.71 84.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 175.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.1 mm100 -64.86 -33.61 76.42 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -179.423 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -72.65 -22.98 60.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -176.238 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttp -105.05 -46.2 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.92 -177.066 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.561 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 60.6 m-85 -101.11 -35.55 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.259 -178.419 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 72.6 25.39 2.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.007 0.817 . . . . 0.0 110.534 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 11.9 pt-20 -121.7 151.9 39.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.231 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -75.54 145.94 40.89 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.225 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.82 116.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.477 0.655 . . . . 0.0 112.155 -173.693 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.9 -42.44 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.537 173.113 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -158.43 131.01 7.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.268 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -162.54 101.74 1.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.161 178.78 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.04 -52.25 0.86 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.548 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.05 114.24 1.06 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 178.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 t -163.16 -13.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.416 -174.734 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -85.57 -56.34 3.55 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 21.91 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.941 -178.604 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.63 97.19 6.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -173.496 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 96.0 p -91.38 162.88 14.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.482 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.01 134.46 36.63 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 -179.578 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 12.7 ptm180 -112.88 118.97 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.206 -176.16 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 64' ' ' ILE . 48.0 tptt -107.57 142.85 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -97.02 116.31 28.99 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.129 176.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.89 146.19 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.625 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.21 133.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.112 0.482 . . . . 0.0 110.986 176.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.39 97.48 5.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 51.3 81.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.223 0.952 . . . . 0.0 111.521 -175.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.87 -129.54 1.89 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.645 179.183 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 pt-20 -113.33 156.2 23.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -174.766 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.73 109.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.721 179.221 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLU . 90.8 t -106.77 139.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.188 -179.12 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.16 124.31 52.25 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.77 178.566 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.623 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.9 tt -104.73 112.19 37.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.198 179.634 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 3.4 t70 -106.97 114.38 28.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.452 -177.671 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.626 HG21 HG21 ' A' ' 31' ' ' THR . 76.7 mt -108.02 121.06 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.804 -170.866 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 13.1 mt -98.0 105.22 17.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.306 172.263 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.74 100.28 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -88.47 133.36 34.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -166.843 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.97 117.53 20.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.163 176.434 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.611 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -79.87 54.65 4.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.312 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -106.26 173.43 6.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -177.819 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.49 7.35 32.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.676 0.751 . . . . 0.0 109.001 175.292 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.56 ' HB2' HD22 ' A' ' 72' ' ' LEU . 4.8 m-20 -82.8 -83.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.892 -178.894 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 417' ' ' GLN . 81.4 m-85 -80.03 81.94 6.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.315 -177.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.46 -20.44 66.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.194 0.521 . . . . 0.0 111.249 178.086 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' HB2' ' N ' ' B' ' 417' ' ' GLN . . . -68.82 -23.1 64.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.313 179.682 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.66 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.7 mt -88.83 -39.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.91 0.386 . . . . 0.0 110.803 -176.775 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -91.6 -64.65 1.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.083 -177.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.22 -56.84 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.607 -171.874 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.433 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 14.8 m120 -69.05 -40.47 78.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.414 -171.608 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 2.5 m-85 -64.19 -27.83 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.29 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 114' ' ' VAL . 14.4 m-30 -62.66 -27.57 69.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.13 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 64.7 ttt180 -60.14 -55.7 30.68 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -172.674 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.619 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 18.6 m -82.41 15.7 2.38 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 111.539 178.157 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.21 153.07 23.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 176.039 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -98.8 -76.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.817 0.309 . . . . 0.0 110.602 -176.387 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.675 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.91 155.76 16.28 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.102 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -130.65 129.61 42.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.341 0.591 . . . . 0.0 111.236 -176.081 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.71 107.1 19.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.092 179.485 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 HD23 ' A' ' 123' ' ' LEU . 74.4 mt -81.87 105.3 12.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.802 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 126' ' ' VAL . 47.9 t -120.86 113.32 39.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.467 -173.09 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 35.4 p90 -127.89 155.54 44.0 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.041 0.838 . . . . 0.0 109.191 179.179 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.437 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 23.1 t -84.64 139.97 31.68 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.821 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -71.57 1.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.004 0.43 . . . . 0.0 111.316 -177.725 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.531 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 14.8 p -107.49 10.25 29.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.361 0.6 . . . . 0.0 110.234 172.874 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 71.5 mt-10 -122.86 93.62 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.829 176.07 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -69.89 -28.33 65.54 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.934 178.834 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.91 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.221 0.534 . . . . 0.0 110.191 176.47 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 14.9 m -62.75 -31.41 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.604 178.698 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 46.5 t80 -65.36 -51.75 58.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.128 177.819 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 m -65.81 -28.88 69.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 110.763 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.63 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.34 -178.253 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 43.2 p -58.93 -36.67 75.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.757 0.313 . . . . 0.0 111.328 -178.855 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.32 94.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.661 177.317 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 -42.17 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.794 179.484 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.13 -49.46 75.86 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.419 ' HE ' ' HG3' ' A' ' 109' ' ' GLU . 43.0 ttp180 -53.24 -55.57 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.913 178.736 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' HG3' ' HE ' ' A' ' 108' ' ' ARG . 36.2 mt-10 -66.22 -33.04 74.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.116 -175.783 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.99 -32.53 73.82 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.356 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.604 HG22 HD13 ' A' ' 121' ' ' ILE . 92.9 mt -66.34 -45.33 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.66 176.179 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.48 -10.57 59.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 111.116 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -78.06 -34.1 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.96 0.41 . . . . 0.0 110.407 177.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -101.51 -18.82 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.567 -178.222 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 45.5 mtpt -111.47 -126.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 177.744 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.05 1.15 2.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.363 0.665 . . . . 0.0 112.24 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -107.4 -0.42 22.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.272 0.558 . . . . 0.0 110.001 177.527 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -107.54 -165.21 1.04 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.18 -176.715 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -70.83 -82.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.197 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.532 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.1 mptt -141.67 133.48 27.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -177.159 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.604 HD13 HG22 ' A' ' 111' ' ' ILE . 85.0 mt -96.28 107.96 38.69 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.346 176.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.675 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.7 Cg_endo -84.01 127.27 4.05 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.217 2.611 . . . . 0.0 111.801 177.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 91' ' ' LEU . 6.4 mp -116.15 133.63 55.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.835 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -128.02 118.9 24.35 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 173.613 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.53 122.15 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.703 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.1 t -112.13 121.79 65.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.018 -176.058 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.9 96.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 175.507 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -82.94 148.89 27.37 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -173.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.704 ' HG3' ' HG ' ' A' ' 132' ' ' LEU . 19.4 tptm 73.06 26.79 2.13 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.997 0.811 . . . . 0.0 110.414 174.304 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 156' ' ' GLU . 33.1 t -64.18 -10.14 21.24 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.896 -178.446 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 1.5 p30 -74.07 -2.57 24.96 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.458 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.704 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 95.5 mt -73.43 -55.17 6.72 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 171.044 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 64.49 -72.73 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.986 0.804 . . . . 0.0 112.147 177.595 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.894 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.9 pt-20 -62.11 -30.2 70.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.041 0.448 . . . . 0.0 111.885 -174.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.894 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 71.1 mtt180 -107.0 14.68 26.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -173.621 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -59.27 117.28 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.061 0.458 . . . . 0.0 110.436 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 34.2 tt0 -78.9 -37.26 40.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.992 -175.045 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.0 p -108.0 117.73 54.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.637 -177.176 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 124.5 15.69 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.053 1.835 . . . . 0.0 110.572 174.77 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.658 HG12 ' HG3' ' A' ' 144' ' ' ARG . 11.2 t -55.59 -22.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.286 -176.726 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.51 -46.3 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.496 -174.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.85 -21.69 60.02 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.836 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -78.28 -41.84 32.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 110.75 178.174 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.658 ' HG3' HG12 ' A' ' 140' ' ' VAL . 56.6 mtp180 -62.71 -38.71 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.4 t -58.03 -50.49 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.703 178.446 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 66.1 mmtt -63.27 -36.38 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.314 -176.063 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.21 87.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.399 175.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.31 -37.61 71.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.04 -34.2 75.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.116 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -88.95 -20.42 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.828 -179.267 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.36 29.4 19.62 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.945 -178.418 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.3 -175.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.769 0.319 . . . . 0.0 110.794 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.835 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -111.84 159.43 18.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.871 176.737 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.431 ' CE2' HG13 ' A' ' 140' ' ' VAL . 88.4 t80 -133.7 114.98 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.5 127.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.879 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 27.9 mt-10 -87.55 145.77 26.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.979 0.418 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.5 p -119.8 134.38 55.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.393 -176.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.2 m -118.9 94.34 4.41 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.324 175.081 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.505 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -70.23 -19.42 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.66 -174.378 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.89 -27.54 65.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.147 0.499 . . . . 0.0 110.307 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.0 p -114.81 5.51 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 57.28 28.95 15.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.24 -176.262 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -84.48 119.53 25.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.632 -177.139 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 69.24 7.02 5.99 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.445 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.17 -51.22 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 110.676 -178.585 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -77.04 -24.78 52.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.826 178.707 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -59.56 -51.8 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.37 -174.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.87 -26.74 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.152 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.49 -55.4 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.86 177.249 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.4 m-85 -64.07 -39.92 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.192 -176.218 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.5 -52.31 64.09 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.32 0.387 . . . . 0.0 111.778 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.2 tp -72.01 -38.3 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.492 . . . . 0.0 110.251 -178.565 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.623 ' SD ' HD12 ' A' ' 64' ' ' ILE . 38.9 mtp -62.57 -29.96 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.442 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 34.4 mmt180 -63.64 -56.31 16.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.371 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.34 -37.04 69.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.118 -175.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 172' ' ' LEU . 77.7 mt -55.83 -32.6 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.772 -176.709 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -59.98 -39.58 86.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.432 -176.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.9 m -66.11 -30.35 70.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.854 -178.498 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 176' ' ' ILE . 3.0 mptp? -69.08 -42.7 75.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.45 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -69.73 -35.46 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.801 -177.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.1 mtt -70.93 -36.96 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 176.675 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.0 m 64.61 -70.74 0.08 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.104 0.877 . . . . 0.0 111.181 -178.317 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.7 98.74 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.318 0.58 . . . . 0.0 109.937 178.385 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -92.99 -1.08 57.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.038 178.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.006 179.205 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.3 p -59.78 -30.95 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.879 -175.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.33 -46.98 87.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 110.586 178.471 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.462 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.8 m -81.33 -36.81 29.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -56.75 -35.28 68.45 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.518 0.199 . . . . 0.0 111.096 178.807 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.58 -47.72 81.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 175.226 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.8 73.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.994 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.531 ' O ' HG13 ' B' ' 402' ' ' ILE . 21.7 mm -57.53 -46.65 86.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.408 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 98.1 mttt -61.34 -39.23 89.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.46 -179.674 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.7 mt-10 -59.92 -42.66 94.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.282 0.563 . . . . 0.0 109.894 176.568 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.588 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 7.6 tp10 -68.59 -39.15 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.216 178.594 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 398' ' ' ILE . 86.7 mt -56.69 -51.37 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.319 178.285 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.555 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 30.2 mmm180 -60.53 -33.3 72.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.253 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.588 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 46.1 ttt180 -65.57 -51.82 56.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.368 177.049 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' B' ' 436' ' ' LEU . 13.1 mm100 -70.39 -28.01 64.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -177.546 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.555 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -60.13 -51.37 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.027 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -67.93 -38.48 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 -179.477 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 36.4 mt -64.37 -50.81 66.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.822 -179.627 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.619 HD13 HG13 ' B' ' 432' ' ' VAL . 48.9 tp -64.6 -34.53 78.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 110.218 177.108 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.1 -41.34 92.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 176.378 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.5 t -59.78 -54.44 46.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.1 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.502 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.5 mm? -58.37 -33.49 69.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 111.473 178.604 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.4 m-70 -67.52 -35.42 79.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.002 177.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -79.04 -51.8 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 176.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -59.21 -54.55 45.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -173.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.839 HD22 HG13 ' B' ' 420' ' ' ILE . 26.8 mt -68.81 -25.45 64.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.016 0.436 . . . . 0.0 111.119 -177.452 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.635 ' HG3' ' HA ' ' A' ' 75' ' ' TYR . 34.6 tt0 -61.43 -34.73 75.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.013 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.48 5.85 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.273 179.169 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 174.25 122.14 0.66 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.494 -179.721 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.839 HG13 HD22 ' B' ' 416' ' ' LEU . 1.2 mp -68.06 128.38 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 123.048 0.539 . . . . 0.0 110.889 179.293 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.39 -23.24 15.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.297 0.57 . . . . 0.0 111.161 178.479 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.711 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 7.8 m-20 -147.64 141.56 25.85 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.613 -175.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.528 ' HA ' ' OE2' ' B' ' 426' ' ' GLU . 2.5 pt? -60.23 -27.87 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 110.602 171.917 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' B' ' 427' ' ' GLU . 46.2 m -61.93 -31.36 71.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.08 178.464 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.711 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 71.9 mmtt -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 109.79 179.475 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 423' ' ' LEU . 26.6 mt-10 -63.95 -45.25 90.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.791 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' B' ' 424' ' ' SER . 33.6 mt-10 -60.51 -46.18 91.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.975 176.296 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.567 ' O ' HG12 ' B' ' 432' ' ' VAL . 1.0 OUTLIER -64.06 -33.51 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.269 178.758 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.502 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.4 OUTLIER -55.11 -51.38 66.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.979 0.419 . . . . 0.0 110.088 178.184 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.786 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 21.2 m95 -66.7 -49.23 66.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.157 177.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 434' ' ' ARG . 6.9 tp10 -59.02 -53.2 61.1 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.614 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.4 p -62.14 -34.48 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 0.0 110.258 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.6 tp60 -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 173.741 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.786 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 1.5 mpp_? -58.72 -39.82 81.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.864 178.013 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' B' ' 432' ' ' VAL . 41.1 mt -65.81 -46.53 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.016 179.167 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.7 -43.81 85.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.681 0.276 . . . . 0.0 110.958 179.358 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 52' ' ' ARG . 10.2 t -74.86 -39.2 61.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.226 -175.888 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.409 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -66.3 -34.94 79.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.395 0.617 . . . . 0.0 109.846 176.47 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 402' ' ' ILE . 34.1 tp -65.82 -38.42 88.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.778 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -57.4 -42.79 82.91 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 110.028 173.292 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -45.73 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.994 177.133 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.537 ' HE3' ' OE2' ' B' ' 445' ' ' GLU . 13.4 mmmm -61.27 -32.17 71.99 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.408 179.378 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.444 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.4 tm? -59.61 -51.28 70.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.125 0.488 . . . . 0.0 110.017 176.465 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.31 -1.41 49.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.275 -178.543 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.537 ' OE2' ' HE3' ' B' ' 442' ' ' LYS . 24.7 tt0 -98.21 -32.64 11.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.066 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.508 -177.658 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.505 ' C6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.273 -0.331 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.584 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 58.6 mt-30 -109.28 124.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 m -81.39 -17.81 47.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 -179.625 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 p -78.87 9.03 4.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 111.363 -179.198 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 97.3 mt -90.02 -26.08 20.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.317 177.64 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.68 8.91 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.313 0.578 . . . . 0.0 111.529 -175.567 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' ' HE2' ' A' ' 16' ' ' LYS . 52.2 tp -131.59 102.0 5.73 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 178.39 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 96.3 m-70 -100.21 142.74 31.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.175 0.512 . . . . 0.0 111.017 -175.19 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE2' ' HG ' ' A' ' 14' ' ' LEU . 65.1 mmtt -119.78 112.13 18.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.242 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.86 114.78 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.175 0.512 . . . . 0.0 110.227 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.409 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.2 mt -99.12 111.0 27.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.515 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.892 ' HG3' ' HD2' ' A' ' 27' ' ' LYS . 56.4 tpp -82.5 104.09 12.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 -177.031 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -107.52 176.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -175.222 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.22 -179.43 33.0 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.226 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 p -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.447 0.641 . . . . 0.0 110.534 178.508 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.755 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -144.23 -87.39 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 174.22 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 27' ' ' LYS . . . -171.3 42.65 0.18 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.744 175.368 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.5 t -40.76 -65.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 124.537 0.786 . . . . 0.0 112.212 -173.878 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 11.61 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.326 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.069 ' HB3' HG21 ' A' ' 92' ' ' VAL . 53.2 pttt -71.58 -39.15 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.274 -174.687 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.526 ' O ' HD23 ' A' ' 32' ' ' LEU . 16.5 m -72.01 -23.64 61.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.19 0.519 . . . . 0.0 110.219 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 128' ' ' ASN . 95.9 mt -73.86 -41.31 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.589 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 35' ' ' MET . 19.9 p -60.93 -43.73 98.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.73 -176.697 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 28' ' ' SER . 4.1 mm? -59.11 -28.71 66.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -66.97 -44.89 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.397 0.617 . . . . 0.0 109.721 178.093 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HE2' HG21 ' A' ' 64' ' ' ILE . 60.6 t80 -73.28 -36.36 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 31' ' ' THR . 92.3 mtp -69.0 -53.09 22.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.161 -177.755 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 77.2 m-85 -103.02 -83.9 0.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.454 177.518 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 15.6 t70 172.31 -36.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.879 0.737 . . . . 0.0 110.008 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -96.62 165.63 12.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 0.0 111.93 -171.117 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -76.23 127.19 32.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.773 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' TYR . 7.7 p -77.08 133.62 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.386 -178.872 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -119.48 -36.52 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.175 177.551 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -132.48 94.93 3.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.208 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' HG21 ' A' ' 40' ' ' VAL . 60.3 t80 -170.61 100.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.181 174.713 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.718 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.5 mm-40 -110.38 -41.99 0.11 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.147 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.0 Cg_endo -64.47 84.49 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.56 1.507 . . . . 0.0 113.15 178.459 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 2.7 p -105.84 17.53 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 176.055 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.698 ' HD2' ' CE2' ' A' ' 75' ' ' TYR . 31.8 mtmt -64.97 -57.84 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.979 -170.084 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 21.35 7.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.279 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.15 124.89 46.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.247 -174.593 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 t -131.84 145.92 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.757 178.103 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -122.77 130.48 52.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -74.94 104.68 5.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.445 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 35' ' ' MET . 50.3 tptt -104.78 126.14 51.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -103.58 129.31 50.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.958 172.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 m -133.24 144.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.032 174.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -120.13 132.44 69.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.151 0.501 . . . . 0.0 109.656 176.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.668 ' HB3' HH21 ' A' ' 174' ' ' ARG . 2.6 tt -129.62 109.24 10.84 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.21 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.81 -16.87 0.17 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.532 1.133 . . . . 0.0 113.343 174.219 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.22 -71.77 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 119.019 -1.562 . . . . 0.0 115.204 -178.858 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.1 pt-20 -89.36 141.48 28.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 117.462 0.631 . . . . 0.0 112.074 -168.654 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.18 109.45 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.865 174.767 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.404 HG22 ' HG3' ' A' ' 60' ' ' GLU . 1.1 t -106.92 154.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -171.033 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.75 150.87 32.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.256 178.327 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.7 tt -149.25 131.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.113 -177.234 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 1.6 m-20 -99.69 143.65 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.172 175.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.92 113.56 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 -178.398 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.22 104.36 12.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.199 178.158 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.713 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 20.0 t70 -88.13 96.01 10.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.472 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 p -62.83 135.35 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -175.386 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.96 125.39 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 176.515 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -87.8 58.39 4.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.314 -178.853 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.09 172.19 15.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -80.49 -32.25 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -170.717 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.85 -64.09 0.93 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.263 0.554 . . . . 0.0 111.668 -176.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.698 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 42.6 m-85 -79.95 57.65 2.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -174.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.519 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . . . -59.42 -33.62 71.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.385 175.435 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -57.87 -41.92 83.47 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.948 178.242 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.615 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 46.0 mt -73.88 -17.29 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.818 -176.428 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 76' ' ' ALA . 85.0 mtm180 -91.96 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.791 177.463 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.63 -55.11 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.216 0.531 . . . . 0.0 111.91 -175.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -68.56 -23.42 64.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.847 -168.241 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 11.4 m-85 -89.98 -13.16 36.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.081 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.3 m-30 -77.52 80.21 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.29 0.566 . . . . 0.0 111.046 -178.749 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' NH2' ' HG ' ' B' ' 423' ' ' LEU . 1.4 mmt85 -135.12 -80.85 0.43 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 m -80.52 32.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 111.118 -177.744 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.98 126.34 8.89 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.746 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 180' ' ' LYS . 6.1 mm-40 -98.6 -63.81 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 179.353 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.43 119.26 5.32 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.735 -174.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' HB2' HD23 ' A' ' 123' ' ' LEU . 97.1 m-85 -115.34 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.908 0.385 . . . . 0.0 110.013 177.525 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.3 mt -89.79 118.95 29.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.183 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.82 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.069 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.9 m -108.22 143.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.269 0.557 . . . . 0.0 111.886 -175.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.66 152.42 28.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.544 -0.909 . . . . 0.0 108.544 174.17 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.447 ' OG ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 p -92.6 148.98 21.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.194 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.23 8.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.311 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 135' ' ' ARG . 34.2 p -108.32 -31.42 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 174.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' OG ' ' A' ' 94' ' ' SER . 24.9 mm-40 -92.78 91.98 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.191 -178.004 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -69.91 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 -178.501 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.24 -37.21 86.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.119 0.485 . . . . 0.0 110.62 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.47 -29.46 70.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.201 175.77 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -74.13 -31.49 62.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.567 178.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -64.5 -39.52 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.568 177.653 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.09 -15.19 61.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.593 -173.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.677 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.7 p -58.71 -30.52 67.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 111.522 -177.377 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.72 74.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 178.849 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -69.8 -30.89 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -178.714 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 23.0 m-85 -57.3 -43.34 83.14 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.55 -54.17 50.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.084 0.469 . . . . 0.0 110.323 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.29 -33.57 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.283 -178.758 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -71.43 -33.74 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.378 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.7 mt -71.54 -45.07 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -68.57 -20.45 64.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 178.417 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -59.99 -33.74 72.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.529 177.479 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.1 m -112.65 -20.15 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.522 -177.785 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 14.0 mmmt -106.33 -98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 -178.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.7 -56.88 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.899 0.88 . . . . 0.0 113.311 178.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -83.34 53.92 2.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.005 0.431 . . . . 0.0 111.481 -173.696 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.2 -169.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.822 -177.845 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -68.41 0.4 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 171.921 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -154.87 155.66 34.76 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.47 HD13 HG22 ' A' ' 111' ' ' ILE . 61.8 mt -105.49 95.09 9.38 Favored Pre-proline 0 C--N 1.313 -0.984 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.498 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.638 ' HB2' HD11 ' A' ' 172' ' ' LEU . 61.4 Cg_endo -71.99 106.55 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.007 2.471 . . . . 0.0 111.848 -176.191 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 89' ' ' PHE . 94.4 mt -102.23 155.11 18.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.409 -178.89 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 153' ' ' GLN . 4.0 tp -150.32 118.35 6.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.711 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.7 t -84.11 115.61 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.978 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.858 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -103.69 109.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.609 -175.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.73 99.05 2.16 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.418 ' HB3' HD11 ' A' ' 30' ' ' LEU . 3.0 p-10 -100.33 163.71 12.26 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.742 -0.269 . . . . 0.0 110.837 -176.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.624 ' HE2' HD21 ' A' ' 132' ' ' LEU . 19.1 tptm 69.47 17.29 8.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.689 178.605 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 p -63.44 -8.7 9.82 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.195 0.522 . . . . 0.0 111.658 -177.07 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.63 -13.46 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.623 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.731 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.8 mt -67.17 -41.69 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.715 -177.655 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 61.29 -76.87 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.396 0.679 . . . . 0.0 112.467 176.855 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.35 -24.67 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 111.375 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 69.3 mtt180 -86.63 -1.69 57.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 95' ' ' ILE . 37.3 ttp180 -58.14 113.67 2.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 111.112 -178.229 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -93.23 -28.75 16.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.9 116.69 53.47 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.313 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.14 128.61 26.99 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.163 1.909 . . . . 0.0 111.434 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -54.68 -22.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.161 178.09 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.58 -53.88 52.47 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.483 179.255 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.73 -23.68 61.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.93 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 178.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.4 mtp180 -68.12 -33.26 74.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.087 177.614 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.5 t -55.65 -54.58 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.622 178.151 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 29.3 mmtp -60.27 -37.54 80.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.771 -177.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.19 89.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.989 0.423 . . . . 0.0 110.513 175.559 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -69.59 -37.47 76.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 178.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 145' ' ' SER . 48.1 mt-10 -65.14 -33.77 76.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -90.45 -29.5 17.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.065 -178.255 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 38.03 3.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.277 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.95 175.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.3 pt20 -96.98 161.97 13.6 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.831 175.366 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.437 ' HE2' HG22 ' A' ' 140' ' ' VAL . 84.3 t80 -130.71 121.31 25.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.645 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.09 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 -177.358 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.46 126.93 34.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.038 176.466 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.7 p -117.02 130.86 56.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.129 0.49 . . . . 0.0 111.166 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.1 m -123.75 104.15 8.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.199 179.039 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.1 -12.63 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.978 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -72.89 -31.28 64.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.108 179.376 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 p -113.35 3.3 15.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.258 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 62.82 27.89 16.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -94.64 127.57 40.69 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.11 -173.549 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 68.38 9.01 7.0 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.306 173.845 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.03 -49.32 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.041 0.448 . . . . 0.0 110.846 -177.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.3 -22.95 51.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.228 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.21 -48.91 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.837 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.34 -26.9 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.296 . . . . 0.0 111.725 -177.651 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -75.71 -55.76 5.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.306 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 57' ' ' LEU . 38.4 m-85 -62.47 -40.69 97.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.9 -174.442 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -56.01 -52.44 64.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.905 0.383 . . . . 0.0 110.806 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' PRO . 28.3 tp -71.75 -41.24 68.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.153 -175.694 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.471 ' SD ' HD12 ' A' ' 64' ' ' ILE . 43.0 mtp -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.395 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.668 HH21 ' HB3' ' A' ' 57' ' ' LEU . 13.9 mmt85 -75.68 -39.59 57.27 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.534 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.658 0.266 . . . . 0.0 110.658 178.049 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.663 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.2 mt -55.87 -45.38 79.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.715 178.035 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 181' ' ' MET . 55.7 mtm180 -57.69 -49.75 75.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.219 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -62.87 -35.29 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.192 -178.672 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.84 -32.29 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.662 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 31.4 mmmt -69.35 -41.39 76.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.159 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 59.4 mtt -69.36 -34.29 74.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.854 178.709 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 66.2 m 67.85 -84.28 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.301 176.556 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -160.66 131.84 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.867 0.365 . . . . 0.0 110.105 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -108.73 24.62 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.151 0.5 . . . . 0.0 111.064 -175.155 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.46 179.452 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 391' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 11.8 p -67.88 -19.65 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -176.232 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.68 -42.4 83.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.988 0.423 . . . . 0.0 110.978 176.765 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.463 ' O ' HG12 ' B' ' 398' ' ' ILE . 21.2 m -80.91 -31.13 35.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.527 -179.227 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 85.1 mt-30 -59.95 -27.55 66.89 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -178.612 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.22 -56.12 21.41 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.291 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.59 90.65 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.905 178.127 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -59.49 -53.95 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.416 0.15 . . . . 0.0 111.122 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.39 -45.62 87.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.376 -177.633 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.18 -39.4 90.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 27.3 tt0 -71.41 -41.84 69.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.046 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.5 mt -53.43 -52.47 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 O-C-N 123.037 0.211 . . . . 0.0 110.541 176.127 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -58.66 -36.33 73.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.051 -177.695 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 62.5 ttp180 -67.51 -48.68 66.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.466 177.219 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 15.4 mm100 -67.39 -35.98 80.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.441 -175.409 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.568 ' HG2' HD21 ' B' ' 436' ' ' LEU . 42.7 mt-10 -61.27 -47.69 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.185 175.885 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -64.38 -41.9 96.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.028 -179.35 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.7 mt -61.19 -51.94 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.634 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.647 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -66.34 -35.27 79.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.828 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.618 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 60.5 t30 -66.72 -54.49 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 178.775 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 40.3 t -59.15 -45.99 89.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.524 -177.406 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 20.6 mt -52.41 -51.04 61.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.136 178.538 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 4.6 p80 -70.09 -30.5 67.73 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.52 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 19.7 mtm180 -71.56 -52.88 15.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.482 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.47 -46.56 89.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.906 -175.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 81' ' ' ASN . 66.2 mt -63.31 -25.93 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.238 -173.805 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 64.7 mt-30 -59.99 -21.76 61.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.49 0.186 . . . . 0.0 111.307 179.392 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -7.5 44.75 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.204 -0.522 . . . . 0.0 113.014 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.33 9.66 31.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.875 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 56.8 mt -108.35 124.64 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.29 149.91 37.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.495 0.664 . . . . 0.0 110.967 175.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.6 t70 -148.75 161.0 42.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.498 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.551 ' HG ' ' NH2' ' A' ' 84' ' ' ARG . 9.2 mp -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.752 0.31 . . . . 0.0 111.065 -177.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 t -64.13 -37.42 87.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 33.6 mmtt -69.08 -49.69 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.617 -177.864 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 28.2 mt-10 -59.56 -46.8 87.86 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.329 -175.475 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.86 -35.29 69.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.1 -176.746 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.635 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.2 mmt180 -65.92 -37.37 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.313 174.781 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.642 HD11 HD12 ' B' ' 416' ' ' LEU . 21.2 mt -55.37 -57.37 12.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.249 0.343 . . . . 0.0 111.269 -179.046 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -64.55 -35.99 82.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.022 179.136 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.654 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 37.4 tt0 -65.07 -55.41 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.677 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.659 ' HA ' HD12 ' B' ' 435' ' ' ILE . 9.0 p -64.77 -31.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.335 . . . . 0.0 110.459 -179.252 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -54.91 -50.76 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.654 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.0 mtp-105 -61.41 -38.72 88.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.653 0.739 . . . . 0.0 109.799 178.614 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' B' ' 432' ' ' VAL . 63.4 mt -66.1 -47.29 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.832 -177.599 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.568 HD21 ' HG2' ' B' ' 406' ' ' GLU . 2.8 tm? -58.62 -44.45 89.97 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.268 -179.796 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.5 t -68.6 -34.47 75.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.384 -176.784 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.97 -38.56 79.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.111 174.899 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.4 mm? -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.131 177.069 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.27 -38.05 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.402 177.003 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -44.62 90.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.49 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.3 mmmm -59.11 -33.62 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.431 178.349 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' B' ' 402' ' ' ILE . 49.5 tp -64.96 -43.88 91.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -82.78 -4.66 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 110.858 177.356 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.29 -34.67 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.207 179.639 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.731 -179.588 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.475 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -75.99 84.52 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 110.295 -179.301 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 p -85.71 -71.19 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.178 0.513 . . . . 0.0 110.675 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 m -140.32 83.64 1.92 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.443 0.64 . . . . 0.0 109.49 175.734 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 177' ' ' ARG . 67.5 mt -119.71 -23.57 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.536 -176.337 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -77.14 10.66 2.26 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.346 0.593 . . . . 0.0 111.7 -177.702 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -148.06 132.63 17.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.358 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.465 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 73.6 m-70 -131.03 145.5 52.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.271 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -120.81 115.33 23.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.143 -178.611 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.53 141.47 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 111.695 -179.178 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.24 129.1 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 177.769 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.485 ' SD ' HD12 ' A' ' 90' ' ' LEU . 84.6 mmm -93.02 103.4 15.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.734 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.53 157.23 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.764 0.316 . . . . 0.0 110.912 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.39 145.45 4.18 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.709 -178.489 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 m -60.33 124.37 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.742 0.417 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' N ' ' HA3' ' A' ' 71' ' ' GLY . . . 60.53 -105.81 0.9 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -173.701 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.794 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -156.58 56.28 0.39 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.523 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.491 ' O ' ' HD3' ' A' ' 129' ' ' LYS . 61.9 t -39.3 -60.41 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.607 0.763 . . . . 0.0 112.942 -176.232 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . -162.69 62.71 0.27 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.918 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.5 pttt -125.1 -42.05 2.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.729 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -64.37 -28.09 69.46 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' HB2' " H1'" ' A' ' 500' ' ' GNP . . . -71.52 -46.74 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 128' ' ' ASN . 9.2 mp -66.54 -33.74 76.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.523 -174.225 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 HG21 ' A' ' 66' ' ' ILE . 76.8 p -64.81 -46.03 83.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.701 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.08 -36.95 85.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 97.1 mt-30 -69.89 -27.55 64.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.25 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.62 -33.95 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.816 0.341 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.501 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 4.6 mpp? -95.09 -52.78 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.53 -15.63 17.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -173.201 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 38.7 t70 72.4 7.26 5.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.59 0.709 . . . . 0.0 111.142 177.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.35 146.58 28.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.824 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -77.95 144.65 36.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.87 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.19 109.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.786 0.803 . . . . 0.0 111.499 -176.654 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -104.61 -39.23 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.062 173.688 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -151.08 83.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.673 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -162.38 97.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.924 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 mm-40 -113.54 -44.66 0.07 OUTLIER Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.607 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.924 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.6 Cg_endo -42.24 95.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 123.537 2.825 . . . . 0.0 113.753 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.02 82.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.687 175.025 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' O ' HG21 ' A' ' 78' ' ' ILE . 30.7 mmmt -85.95 -60.64 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.654 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.88 5.43 6.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.117 168.876 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.61 108.05 0.16 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.128 -166.731 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 4.2 m -98.54 121.21 40.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.552 175.717 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HD2' ' HG2' ' A' ' 35' ' ' MET . 14.3 t80 -115.29 136.85 52.67 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 20.3 mtm180 -99.59 124.92 45.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 -178.422 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 53.1 tptt -98.65 127.42 44.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.285 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.17 117.08 23.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.103 0.477 . . . . 0.0 110.866 175.409 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG23 ' HB ' ' A' ' 62' ' ' VAL . 27.0 m -125.27 175.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.495 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.9 p -143.86 124.24 9.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.143 172.474 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 88.0 mt -113.69 107.58 15.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.13 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 27.7 t70 76.57 -37.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.885 174.587 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.98 -39.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.105 -1.521 . . . . 0.0 114.516 -178.206 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.2 pt-20 -88.07 133.88 33.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 117.687 0.744 . . . . 0.0 110.272 -177.881 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -75.1 118.43 18.03 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.224 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.9 t -106.45 137.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.361 -168.453 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -114.28 152.55 31.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.995 174.023 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 11.8 tt -141.7 126.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.119 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.789 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 6.7 m-20 -86.87 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' A' ' 50' ' ' SER . 22.1 mm -107.74 112.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.791 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -98.62 105.01 17.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -92.04 119.73 32.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.4 p -95.43 152.78 18.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 0.0 112.349 -172.788 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.81 111.51 20.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 170.192 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 23' ' ' GLY . . . -79.94 69.34 3.09 Favored Glycine 0 C--O 1.228 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.344 -175.115 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -151.5 -179.02 7.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.778 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -93.9 -9.13 38.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.754 0.311 . . . . 0.0 111.548 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -71.88 -66.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.469 -177.892 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' HB3' HG13 ' A' ' 78' ' ' ILE . 49.1 m-85 -79.04 66.43 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.882 -175.586 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.46 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 111.65 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.14 -6.08 40.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.556 -177.312 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.447 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 10.4 mt -102.27 -32.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.044 0.449 . . . . 0.0 110.806 179.383 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.26 -65.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.832 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.5 -46.45 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.352 0.596 . . . . 0.0 110.969 -171.197 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 10.9 m120 -72.35 -16.86 61.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.421 -174.096 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.8 OUTLIER -86.76 -6.96 58.67 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.283 -0.26 . . . . 0.0 111.602 177.761 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.35 16.03 0.39 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.09 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.3 -73.32 0.43 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 178.444 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.7 m -80.49 3.92 19.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.02 117.53 6.45 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.072 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 41.4 tt0 -87.87 -73.83 0.47 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.431 0.292 . . . . 0.0 111.011 -174.909 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.57 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.78 151.95 20.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.184 -179.611 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' HE2' ' HZ3' ' A' ' 115' ' ' LYS . 90.6 m-85 -130.08 127.16 39.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.996 0.427 . . . . 0.0 111.381 -176.174 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.1 mt -107.3 110.84 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.172 176.229 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.34 106.05 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.097 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 113.16 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.332 . . . . 0.0 110.749 -178.48 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.95 173.74 10.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 46.6 t -113.16 142.88 45.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 -179.629 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.21 9.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.247 0.546 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.725 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 23.3 p -132.59 -46.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.669 177.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 17.3 mt-10 -69.87 90.67 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.627 175.117 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -63.48 -27.15 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.987 -170.565 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.51 -42.25 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 82.5 p -70.93 -29.72 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -66.47 -43.38 85.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 m -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.176 0.513 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.42 -15.04 62.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.423 -176.545 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.6 p -55.47 -41.89 73.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.688 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.68 98.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.67 -46.28 90.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.24 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.4 m-85 -57.04 -51.42 69.33 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.388 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -58.21 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -177.736 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.94 -31.83 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.988 -175.141 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.1 -32.13 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 178.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.7 mt -67.96 -47.16 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.484 176.578 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.63 -13.0 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.595 -179.749 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -73.66 -36.24 65.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.959 0.409 . . . . 0.0 110.318 176.524 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.9 m -103.58 -24.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.534 -177.797 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.1 mtpt -117.42 110.4 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.397 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.08 -31.12 3.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.344 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -130.13 25.77 5.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.142 0.496 . . . . 0.0 110.355 -175.366 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.24 -15.67 35.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.009 -172.738 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.3 t70 73.18 -52.37 0.71 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.672 0.789 . . . . 0.0 111.517 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HE3' ' HB3' ' A' ' 179' ' ' LYS . 11.9 mptt -80.58 80.95 6.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -176.703 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 115' ' ' LYS . 21.3 mt -130.51 85.37 56.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 170.342 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.57 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 31.0 Cg_endo -97.52 120.83 0.16 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.639 2.892 . . . . 0.0 112.272 175.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 9.2 mp -108.07 130.1 55.11 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.103 0.477 . . . . 0.0 110.59 179.073 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.612 HD13 ' CG ' ' A' ' 153' ' ' GLN . 4.4 tp -124.4 118.57 26.98 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.834 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.1 t -82.21 116.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.871 -177.269 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.62 109.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.629 -175.281 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.22 101.64 2.75 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.131 175.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.454 HD21 HD11 ' A' ' 30' ' ' LEU . 6.1 t-20 -110.45 -174.9 2.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -177.814 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 25' ' ' VAL . 14.3 mmmm 66.0 29.61 10.06 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.132 0.491 . . . . 0.0 110.144 179.806 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -71.09 16.73 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.354 -177.578 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.09 -38.45 90.76 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.471 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 96' ' ' THR . 6.2 mp -83.6 58.58 4.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.258 175.133 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -72.27 -39.06 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.822 0.344 . . . . 0.0 110.161 -178.627 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -79.64 -30.24 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 110.062 177.339 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.7 mtt180 -94.5 23.56 5.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.983 -175.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.0 112.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.725 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 54.3 tp60 -86.22 -35.48 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.071 -174.066 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 95' ' ' ILE . 14.8 p -110.58 124.22 33.7 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.963 177.504 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.66 126.21 19.24 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.689 2.259 . . . . 0.0 112.873 -177.294 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.459 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -62.01 -22.99 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.819 175.817 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.88 -50.77 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.758 177.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.04 -23.66 30.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.076 -179.617 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.37 -48.3 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.069 0.461 . . . . 0.0 110.454 176.5 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 20.8 mtp180 -64.56 -39.45 93.77 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.177 175.63 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.3 t -55.05 -42.11 72.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.352 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.1 mmtt -68.86 -39.29 79.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.477 179.314 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.69 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.37 0.605 . . . . 0.0 110.231 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.35 -31.09 70.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.322 179.115 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.12 -46.27 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.977 178.227 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -79.27 -13.92 59.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.087 -176.054 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.35 32.39 16.67 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 33.8 m -117.83 -178.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.748 0.309 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.612 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -102.46 156.15 17.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 177.937 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 93.2 t80 -126.31 119.65 27.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 177.712 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 124' ' ' LEU . 87.5 t -125.74 124.86 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -86.02 132.18 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.78 175.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 29.2 p -127.13 130.13 49.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 110.999 -176.282 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 15.0 m -110.73 101.63 10.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.582 178.14 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -173.534 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -76.08 -6.58 51.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.908 0.385 . . . . 0.0 111.248 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.0 p -130.69 -1.4 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.43 . . . . 0.0 110.182 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 66.31 21.58 10.96 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.796 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.54 118.89 19.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.237 -175.689 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 66.69 9.37 6.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.191 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.3 -41.97 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -76.27 -37.65 57.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.121 178.808 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -54.98 -49.5 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.353 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -34.89 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.256 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -75.6 -44.64 41.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 178.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.0 m-85 -69.64 -40.21 76.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.698 -178.118 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.83 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 110.353 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.6 tp -62.54 -43.87 97.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 176' ' ' ILE . 9.7 ptp -66.61 -29.12 69.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.527 -178.22 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 17.3 mmt180 -66.6 -47.61 72.14 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.622 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.495 ' HG3' HE22 ' A' ' 153' ' ' GLN . 5.4 mm-40 -64.48 -30.17 71.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.645 175.336 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.714 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 25.1 mt -56.32 -49.35 77.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 168.863 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.601 ' HG2' HD22 ' A' ' 12' ' ' LEU . 37.5 mtp85 -58.09 -40.19 80.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 175.792 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 175' ' ' GLU . 12.2 m -55.79 -39.21 70.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 178.296 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.535 ' HB3' ' HE3' ' A' ' 120' ' ' LYS . 13.6 mptt -73.45 -36.65 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.668 0.27 . . . . 0.0 111.307 178.179 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 18.2 mmmt -73.36 -34.68 65.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.434 -177.715 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.3 mtt -85.82 -28.61 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.465 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 61.2 p 48.89 -104.9 0.14 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.875 0.734 . . . . 0.0 110.285 -167.501 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.7 101.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.751 174.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -104.67 26.7 8.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.535 -179.453 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--O 1.247 0.936 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.104 -177.995 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.947 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 5.0 p -151.22 79.1 1.3 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.006 0.432 . . . . 0.0 110.57 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.7 -54.69 38.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.154 -176.515 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.446 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.0 m -93.27 -31.83 14.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 0.0 111.228 -177.16 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.947 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 88.8 mt-30 -61.71 -27.35 68.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.336 -178.618 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.71 24.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.437 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.404 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -66.09 -35.44 90.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.911 -179.839 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 402' ' ' ILE . 28.9 mm -58.48 -47.55 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.144 0.497 . . . . 0.0 110.096 177.571 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -58.55 -40.21 82.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.431 -179.39 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.404 ' OE2' ' HA2' ' B' ' 397' ' ' GLY . 42.9 mt-10 -60.46 -43.06 97.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.947 179.407 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 439' ' ' LEU . 30.2 mt-10 -81.08 -27.48 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.796 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.6 mt -54.73 -53.26 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 170.659 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -63.31 -30.76 71.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 9.7 ttm-85 -62.27 -50.71 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.288 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.468 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.6 mm-40 -70.65 -31.86 68.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.954 -176.676 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.8 mt-10 -60.01 -44.31 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.425 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -69.22 -44.14 72.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.65 177.744 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 57.3 mt -59.89 -51.7 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.024 -178.046 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.23 -35.07 79.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.707 0.289 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.5 -43.57 98.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 109.836 176.133 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -60.07 -51.0 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.438 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.559 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.42 -41.95 73.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.697 0.284 . . . . 0.0 111.454 175.577 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -64.78 -48.88 72.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.981 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.54 -39.31 91.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.662 0.268 . . . . 0.0 111.369 -177.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.88 -48.72 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.2 mp -75.07 -40.36 60.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.284 -178.738 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -69.97 -9.52 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 -179.34 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -84.92 -8.02 83.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 172.791 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.99 -0.21 24.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.897 176.823 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.749 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 55.4 mt -112.58 115.74 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.552 -177.639 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.574 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 28.9 t70 -150.19 171.96 16.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.504 -176.121 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.16 -32.57 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.9 0.381 . . . . 0.0 110.578 178.785 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 32.8 t -61.5 -31.6 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.334 0.588 . . . . 0.0 109.715 177.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' B' ' 416' ' ' LEU . 59.3 mmtt -72.1 -52.9 14.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.778 -176.24 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.9 -42.99 99.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.472 -174.498 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 41.5 mt-10 -63.94 -43.38 96.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.426 177.498 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.463 ' HA ' ' HG2' ' B' ' 431' ' ' GLU . 16.6 mmt180 -64.23 -35.92 82.41 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.311 177.701 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 28.6 mt -55.82 -53.56 55.27 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.289 -179.356 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.476 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 76.7 m95 -66.38 -41.96 88.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.964 -177.792 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.506 ' O ' HG13 ' B' ' 435' ' ' ILE . 10.2 pt-20 -72.69 -41.58 65.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.673 -177.159 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.746 ' HA ' HD12 ' B' ' 435' ' ' ILE . 6.8 p -66.3 -35.08 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.424 0.63 . . . . 0.0 110.328 -178.233 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -60.69 -42.35 96.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.309 175.332 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -57.41 -37.21 72.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.171 176.671 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' B' ' 432' ' ' VAL . 7.5 mt -68.37 -49.01 70.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.855 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' B' ' 405' ' ' GLN . 20.8 tp -58.73 -43.62 90.26 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 177.07 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 434' ' ' ARG . 7.1 t -69.2 -32.98 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -178.144 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.08 -40.59 82.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.853 174.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.68 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -57.04 -45.48 83.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 177.512 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.7 -32.92 74.56 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.337 0.589 . . . . 0.0 110.262 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.14 -46.91 60.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.366 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.7 mmmt -58.47 -39.69 80.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.037 178.395 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.453 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.2 tm? -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 -179.605 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -82.65 -2.63 54.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.436 -178.437 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.46 -51.75 4.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.448 176.015 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.477 -175.113 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.477 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 61.68 30.55 18.55 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.398 0.618 . . . . 0.0 109.485 -176.66 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -100.54 114.32 27.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.833 -172.516 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 m 61.64 19.83 10.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.697 171.737 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.7 mt -85.77 -22.26 27.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.112 0.482 . . . . 0.0 110.835 -177.179 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.5 5.76 37.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 176.053 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 tp -112.09 130.71 55.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.339 178.063 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -133.25 139.06 46.74 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.862 -173.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -114.26 114.52 26.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.857 -178.147 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 58.5 t -131.91 128.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -178.384 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 HD12 ' CE2' ' A' ' 89' ' ' PHE . 42.3 mt -110.21 134.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 110.332 175.781 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 31' ' ' THR . 94.9 mmm -91.19 120.11 31.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.53 177.373 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 91' ' ' LEU . 30.9 m -94.77 170.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.583 -173.841 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 27' ' ' LYS . . . 160.06 -177.6 36.46 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.162 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -124.37 -69.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.218 0.532 . . . . 0.0 109.609 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.94 -108.88 1.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.242 176.285 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.89 63.64 2.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.5 -178.714 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 93.0 t -84.46 -16.09 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.717 0.77 . . . . 0.0 109.804 176.523 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA3' ' NZ ' ' A' ' 129' ' ' LYS . . . 92.15 13.8 57.0 Favored Glycine 0 C--N 1.322 -0.198 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.327 -177.571 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.07 -8.1 54.22 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.368 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.423 ' HB3' ' O2B' ' A' ' 500' ' ' GNP . 12.7 t -100.59 -6.0 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 -177.804 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -73.19 -50.57 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 111.045 177.419 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 165' ' ' VAL . 96.2 mt -63.79 -32.3 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.551 -171.822 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.461 ' CG2' ' HG3' ' A' ' 19' ' ' MET . 8.2 p -63.77 -55.3 24.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 -177.675 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -35.96 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 179.48 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 86.3 mt-30 -65.53 -52.32 53.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.37 -179.397 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.37 -35.45 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.54 -176.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtm -75.0 -48.58 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.55 -4.47 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.457 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.34 33.76 22.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 36.6 tt0 -144.22 151.43 39.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 -179.011 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -75.03 115.5 14.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 176.809 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.12 114.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.267 0.556 . . . . 0.0 111.09 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -86.16 -59.88 2.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.357 174.522 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -124.69 129.85 51.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -174.84 89.3 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.588 ' HA ' ' O1G' ' A' ' 500' ' ' GNP . 42.9 mt-10 -75.88 -53.48 2.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.994 -171.594 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.38 124.19 12.96 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.544 1.496 . . . . 0.0 111.82 177.107 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.526 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -149.82 39.42 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 171.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 50.5 mtmt -85.48 -46.91 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.353 -177.401 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.63 7.9 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.684 0.754 . . . . 0.0 109.238 176.708 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.4 m-20 -79.43 80.58 5.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.333 -176.129 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 67' ' ' LEU . 50.2 m -125.35 123.66 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HE1' ' HG3' ' B' ' 440' ' ' LYS . 79.5 m-85 -118.61 149.15 41.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -174.412 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' HB3' ' A' ' 63' ' ' GLN . 43.4 mtp180 -92.24 125.77 37.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.849 -178.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -98.76 126.79 44.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.793 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -95.66 124.16 39.55 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.225 174.823 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.22 144.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.889 175.478 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 60' ' ' GLU . 4.8 p -122.06 115.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.562 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -106.79 99.81 9.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.583 0.706 . . . . 0.0 111.085 -177.866 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 57.9 43.4 21.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.713 -1.13 . . . . 0.0 112.516 177.718 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.08 -55.05 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.798 -1.192 . . . . 0.0 115.119 171.169 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -88.62 131.2 35.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.413 0.607 . . . . 0.0 111.342 -171.36 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.92 111.35 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.167 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.43 143.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.072 -172.881 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HB3' HH21 ' A' ' 52' ' ' ARG . 8.2 mm100 -113.5 117.62 32.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.726 -172.49 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 15.1 tt -111.28 126.3 68.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 0.0 110.28 175.787 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -110.46 110.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.873 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.21 151.6 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-O 121.343 0.592 . . . . 0.0 112.033 -175.692 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 68' ' ' ASP . 19.9 tp -119.77 132.19 55.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.78 174.678 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t0 -98.92 -176.2 3.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 172.311 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -153.32 148.96 27.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.915 -0.491 . . . . 0.0 111.285 -174.443 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB2' ' HG2' ' A' ' 47' ' ' LYS . . . -77.36 140.76 40.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.513 171.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.01 67.49 3.59 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.928 -177.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.9 OUTLIER -155.65 169.89 23.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.508 -177.351 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -100.66 -2.9 31.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.351 0.596 . . . . 0.0 109.707 178.548 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -63.01 -64.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.643 -178.078 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.53 ' H ' HD13 ' A' ' 72' ' ' LEU . 73.8 m-85 -80.58 72.27 7.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.674 -175.206 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.56 -24.07 67.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.837 176.354 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.495 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -67.06 -18.83 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.564 -179.16 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 47' ' ' LYS . 64.6 mt -92.84 -36.59 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 -178.522 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -85.52 -63.94 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.828 -178.785 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.83 -55.96 19.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.141 -172.124 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 23.3 m120 -65.8 -35.43 80.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.277 -172.156 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' B' ' 409' ' ' LEU . 22.2 m-85 -73.8 -31.08 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.197 -0.314 . . . . 0.0 111.664 -179.797 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.659 ' HB3' HG21 ' A' ' 114' ' ' VAL . 4.3 m-30 -63.37 -24.64 67.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.904 -177.492 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.751 ' HG2' ' HB ' ' A' ' 114' ' ' VAL . 20.3 mtp-105 -68.01 -49.56 60.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 -178.128 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 73.2 m -85.85 21.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 175.731 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.39 126.1 8.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.356 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 16' ' ' LYS . 45.2 mt-10 -86.14 -74.06 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.63 0.252 . . . . 0.0 111.363 -178.036 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.94 151.45 19.5 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.398 -177.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CE2' HD12 ' A' ' 18' ' ' ILE . 88.9 m-85 -134.62 133.15 39.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.41 . . . . 0.0 111.24 -178.125 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 124' ' ' LEU . 65.2 mt -96.03 113.9 25.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 171.876 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 20' ' ' VAL . 28.1 tp -89.76 106.02 18.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.468 -176.212 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.863 HG12 ' HB ' ' A' ' 126' ' ' VAL . 21.3 m -119.16 142.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 111.412 -175.293 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 31.1 p90 -153.51 156.56 38.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.178 177.007 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -88.93 129.78 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.389 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.69 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.37 1.0 2.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.523 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 132' ' ' LEU . 23.7 p -85.93 -40.68 15.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.278 0.561 . . . . 0.0 109.591 174.494 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.92 104.42 16.23 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.635 -179.507 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.298 -175.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.13 -28.75 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 -177.463 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 17.9 m -64.93 -25.85 68.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 178.393 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -74.15 -34.51 63.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.273 178.433 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -28.38 64.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.556 0.693 . . . . 0.0 109.941 177.265 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.97 60.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.042 -176.767 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.463 ' HB ' ' HH2' ' A' ' 150' ' ' TRP . 41.7 p -54.2 -45.07 72.1 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.977 0.418 . . . . 0.0 111.232 -179.548 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.03 94.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 176.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.772 179.145 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 111' ' ' ILE . 25.2 m-85 -58.01 -50.95 71.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.416 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 111' ' ' ILE . 57.0 ttt180 -62.5 -46.57 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.035 -177.15 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.0 -35.24 80.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -65.64 -32.24 73.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.285 0.564 . . . . 0.0 109.922 177.321 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.7 mt -65.3 -40.11 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.153 177.746 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.18 -29.7 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 177.242 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -59.47 -31.12 69.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.751 ' HB ' ' HG2' ' A' ' 84' ' ' ARG . 31.9 m -100.06 2.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.648 -179.317 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.898 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.2 mtmm -143.44 -91.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.13 -47.09 0.62 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.927 0.891 . . . . 0.0 112.911 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -88.61 24.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.48 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.898 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 56.4 mm-40 -93.69 173.83 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.19 -179.65 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.15 -74.48 0.09 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.007 179.607 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -143.76 141.82 30.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.154 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -119.57 99.7 49.67 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -88.92 125.4 1.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.123 2.548 . . . . 0.0 113.079 -177.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 6.7 mp -117.36 151.82 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 177.183 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.653 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.0 tp -133.92 115.94 15.01 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.235 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.485 HG22 HD23 ' A' ' 91' ' ' LEU . 6.5 t -84.03 118.64 31.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.271 0.557 . . . . 0.0 110.377 -175.458 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.863 ' HB ' HG12 ' A' ' 92' ' ' VAL . 25.6 t -121.57 122.26 66.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.719 -176.492 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.46 111.24 3.52 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 173.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -89.28 145.83 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.14 0.47 . . . . 0.0 111.198 -174.452 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.597 ' HG2' ' C4 ' ' A' ' 500' ' ' GNP . 6.4 mppt? 61.5 40.37 13.82 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.126 178.522 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.9 m -72.81 30.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.232 0.539 . . . . 0.0 111.058 174.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 129' ' ' LYS . 28.8 t70 -87.78 -17.58 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.673 -179.459 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -68.37 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.01 178.299 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.09 -57.14 0.61 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.607 0.763 . . . . 0.0 111.966 -177.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -19.32 60.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -173.1 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -104.82 15.09 28.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.552 0.215 . . . . 0.0 111.458 178.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 136' ' ' ARG . 32.7 ttm180 -69.51 112.38 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.468 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.08 -3.15 35.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.2 p -114.24 121.17 36.92 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.433 . . . . 0.0 110.557 176.79 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.71 118.12 4.95 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.354 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -67.2 -19.81 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.606 179.47 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.84 -52.87 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.546 179.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 145' ' ' SER . 2.1 pt-20 -87.3 -18.4 30.26 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.893 178.625 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -62.89 -44.51 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.512 . . . . 0.0 110.165 176.549 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -71.38 -36.16 71.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.919 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 142' ' ' GLU . 23.3 t -60.1 -35.96 76.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.811 176.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -61.33 -38.64 87.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.687 0.28 . . . . 0.0 111.1 176.26 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.73 -44.17 97.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.736 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.24 -41.09 92.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.119 175.618 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.88 -40.39 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.246 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.463 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 40.9 m0 -92.63 -7.61 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.687 -175.704 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.55 35.99 21.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.435 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.75 -178.63 2.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.568 0.223 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.653 ' HG3' HD13 ' A' ' 124' ' ' LEU . 9.1 pt20 -103.99 157.63 16.97 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.681 174.927 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 89.4 t80 -121.57 122.74 40.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.607 176.172 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.55 130.04 72.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.524 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.09 140.28 29.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.6 p -127.95 130.44 48.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.115 0.483 . . . . 0.0 111.641 -174.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 14.0 m -93.81 91.49 6.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.833 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.08 -1.36 12.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.194 -174.084 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.816 ' HB2' HN22 ' A' ' 500' ' ' GNP . 49.8 tptt -83.83 -18.49 37.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.699 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.0 p -130.75 3.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.29 -178.59 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.402 ' HA ' HG21 ' A' ' 165' ' ' VAL . 73.5 mtp180 62.32 24.25 14.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.559 -176.103 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -71.83 118.94 15.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.996 -178.249 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 163' ' ' ALA . 4.9 m-20 74.22 0.71 3.68 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.947 0.78 . . . . 0.0 111.719 177.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.4 t -68.72 -48.55 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.376 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.85 -34.42 78.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -175.174 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -52.03 -51.71 55.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.084 -176.748 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 23.0 m -60.64 -27.37 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.323 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -74.93 -48.53 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 0.0 110.512 178.142 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -67.8 -41.12 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.25 -51.37 66.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.999 -176.053 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.6 tp -61.64 -35.84 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.554 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.483 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 56.8 mtm -60.88 -30.63 70.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.153 177.905 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -66.45 -42.19 87.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 178.389 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 18.8 mt-10 -66.59 -37.38 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.234 177.813 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 172' ' ' LEU . 71.7 mt -56.81 -34.05 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.852 179.536 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.05 -49.03 76.14 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.78 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.3 m -62.45 -38.96 91.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.7 mptt -62.7 -44.49 96.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.914 177.784 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.33 -34.34 74.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.237 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.9 -37.23 85.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.9 m 71.44 145.98 0.07 Allowed 'General case' 0 C--O 1.232 0.157 0 O-C-N 124.295 0.997 . . . . 0.0 111.771 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.648 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 7.4 tp10 -77.08 140.33 40.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.039 -178.205 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.76 -12.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.933 179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.648 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 24.1 pttm . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.7 -176.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.913 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 39.1 m -68.06 125.11 25.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.671 0.272 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.35 -70.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.912 -178.806 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.429 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 8.8 m -79.52 -29.98 41.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.232 0.539 . . . . 0.0 110.479 -177.746 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.913 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 64.7 mt-30 -64.2 -26.73 68.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.93 -179.422 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.74 -55.25 31.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.502 -177.192 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.12 -37.88 93.45 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.275 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 402' ' ' ILE . 29.5 mm -58.19 -50.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.625 0.25 . . . . 0.0 110.869 178.777 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 61.8 mttm -58.66 -45.62 88.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.545 -177.818 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.61 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.099 179.237 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.471 ' HG2' HD21 ' B' ' 439' ' ' LEU . 14.8 tt0 -68.0 -34.02 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.887 0.375 . . . . 0.0 110.158 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.662 ' HA ' HD23 ' B' ' 439' ' ' LEU . 45.5 mt -57.12 -51.44 69.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.346 173.599 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 399' ' ' LYS . 21.3 mmm180 -59.35 -32.97 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.681 -179.467 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.4 ttm180 -65.94 -48.4 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 177.917 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -70.78 -36.94 73.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.952 -175.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 67.9 mt-10 -61.28 -38.54 87.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -71.5 -43.25 66.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.099 176.591 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 71.0 mt -57.32 -46.47 83.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.306 178.716 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.604 HD11 ' OH ' ' A' ' 82' ' ' TYR . 21.9 tp -71.66 -36.88 70.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.405 -178.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 62.2 t30 -67.78 -43.15 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.951 179.824 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 411' ' ' SER . . . . . 0.814 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 10.2 t -62.13 -42.65 99.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.39 -177.74 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.443 ' CB ' HD21 ' B' ' 429' ' ' LEU . 33.1 mt -63.78 -37.61 88.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 110.443 174.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.4 m170 -61.67 -33.18 73.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.811 175.87 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.814 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 80.3 mtm180 -74.34 -43.49 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.963 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.28 -51.63 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.935 -177.739 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.542 HD21 ' CG ' ' B' ' 425' ' ' LYS . 62.5 mt -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.755 -177.176 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 31.5 tt0 -72.43 -12.25 61.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.32 -177.254 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.34 0.45 89.67 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.41 177.81 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.69 -10.18 45.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.302 177.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 46.1 mt -89.07 143.21 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.537 ' HA ' HD22 ' B' ' 416' ' ' LEU . 0.5 OUTLIER -149.85 149.67 30.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 111.737 175.053 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.617 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 23.9 t70 -148.24 163.08 38.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.396 175.745 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.67 -32.64 71.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.667 0.27 . . . . 0.0 110.98 -177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 16.8 t -64.61 -31.87 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.006 0.431 . . . . 0.0 109.866 178.627 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.6 mmtt -64.06 -54.23 37.36 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.318 0.58 . . . . 0.0 110.879 -176.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.432 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 11.2 pt-20 -64.81 -36.59 84.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.195 -175.12 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.6 mt-10 -65.56 -49.75 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.107 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 23.7 mmt180 -61.09 -39.86 91.54 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.62 179.245 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' B' ' 429' ' ' LEU . 9.5 mt -57.29 -42.94 82.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.591 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -67.0 -42.17 85.47 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.291 175.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.582 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 46.0 mt-10 -59.02 -55.44 35.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.306 -178.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.6 t -58.31 -35.41 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.799 -178.331 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 26.0 tp60 -56.73 -58.43 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.288 -178.7 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.611 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -70.85 -25.32 62.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.988 -178.766 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 432' ' ' VAL . 81.9 mt -62.98 -49.94 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 173.644 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.02 -44.23 82.63 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.12 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.611 HG22 ' HA ' ' B' ' 434' ' ' ARG . 2.4 t -69.82 -40.45 75.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.399 -177.466 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -61.8 -35.44 78.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.5 0.667 . . . . 0.0 109.653 175.768 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 402' ' ' ILE . 7.4 tp -66.81 -40.27 88.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.834 179.182 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.402 ' HG3' ' HE1' ' A' ' 51' ' ' TYR . 29.7 mmtp -63.85 -33.05 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 177.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.411 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 1.2 tmt_? -66.43 -44.32 83.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.164 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -58.24 -37.16 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.829 178.043 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.457 ' HB2' HD11 ' B' ' 402' ' ' ILE . 3.2 tm? -62.62 -44.97 94.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.345 178.659 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -82.53 -2.35 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.402 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.28 -35.2 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.016 178.444 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.075 -176.692 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.816 HN22 ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 66.06 87.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.651 0.738 . . . . 0.0 111.281 -178.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -88.1 -3.83 58.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.664 173.256 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -77.94 20.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.23 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.34 15.65 6.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 12.9 3.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.24 0.543 . . . . 0.0 111.39 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -135.74 115.71 13.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.676 176.899 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 13.7 m-70 -115.4 152.68 32.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.938 -179.763 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.909 ' HG2' ' HB2' ' A' ' 65' ' ' ASP . 35.0 mtmt -135.82 122.19 20.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.363 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.04 128.73 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.256 0.55 . . . . 0.0 110.145 177.443 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 HG21 ' CE1' ' A' ' 83' ' ' PHE . 63.6 mt -102.2 124.33 56.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.52 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.516 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 60.7 tpp -88.04 111.82 21.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.789 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.14 150.32 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 0.0 111.002 -179.218 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.69 173.0 24.63 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -176.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 p -98.57 -175.29 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.37 0.585 . . . . 0.0 111.045 -178.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.01 35.33 2.75 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.31 -0.472 . . . . 0.0 113.424 -175.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.23 -15.41 1.01 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.676 178.346 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 t -75.86 -23.8 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.62 31.64 58.38 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.287 -174.198 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HE2' ' HG3' ' A' ' 19' ' ' MET . 11.4 ptmm? -58.11 -23.78 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.462 0.705 . . . . 0.0 112.663 -175.182 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 m -76.3 -25.77 55.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.296 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 178.012 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 159' ' ' ALA . 87.5 mt -74.02 -35.66 64.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.749 -177.71 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.536 ' HA ' ' HZ ' ' A' ' 169' ' ' PHE . 23.7 p -67.57 -54.58 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 7.4 mp -70.56 -14.58 62.56 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.558 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.32 -30.39 68.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.193 177.014 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.97 -26.45 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.1 -178.296 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.737 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -76.33 -35.03 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.854 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 76.9 m-85 -116.5 4.72 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -168.667 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.0 m-20 71.66 -58.0 0.59 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.646 0.591 . . . . 0.0 110.201 -175.626 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.11 127.53 52.61 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.763 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.704 ' HB3' ' HA ' ' A' ' 33' ' ' GLN . 2.5 t80 -154.95 128.09 8.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.438 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' HB ' ' O ' ' A' ' 39' ' ' PHE . 5.4 p -176.28 107.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 121.955 0.883 . . . . 0.0 111.131 152.538 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -98.8 12.86 34.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.462 175.145 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 40' ' ' VAL . 1.9 t70 66.04 95.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.196 -173.407 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.67 134.9 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.078 -165.606 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.746 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 8.6 tp10 -126.45 -58.31 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 174.941 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 14.4 Cg_endo -55.9 103.76 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.381 2.054 . . . . 0.0 112.952 -176.67 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.69 79.61 0.64 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.345 179.214 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -88.54 -59.07 2.33 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.858 176.015 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.92 -31.78 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.722 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.22 149.94 48.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.148 -170.239 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.5 m -151.92 -177.47 6.16 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.028 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.22 142.09 51.57 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.389 -170.485 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 6.4 tpp180 -78.07 132.42 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.746 176.917 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.737 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.1 tptt -127.8 132.37 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.176 175.363 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.61 131.68 52.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.577 174.025 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' A' ' 53' ' ' LYS . 26.5 m -140.36 149.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -136.56 110.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.477 0.656 . . . . 0.0 110.492 173.307 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.44 97.4 7.15 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 48.98 81.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.386 -174.626 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.65 -126.34 1.71 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.986 -1.102 . . . . 0.0 114.23 178.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -113.63 169.07 9.24 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.202 0.201 . . . . 0.0 110.616 -173.587 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.32 107.82 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.579 -179.281 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.8 t -106.93 140.5 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.154 -178.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -113.69 153.16 29.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.962 0.41 . . . . 0.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 17.4 tt -134.82 131.79 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.962 -176.84 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.909 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 20.3 m-20 -90.8 126.69 36.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 176.726 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.1 mm -108.91 136.03 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.645 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.76 109.21 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.704 0.288 . . . . 0.0 110.343 177.14 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.95 94.63 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.186 0.517 . . . . 0.0 110.054 176.215 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -61.07 138.34 58.2 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.291 -176.773 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -64.1 142.78 58.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.342 177.621 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 51.87 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.658 179.061 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HG ' ' HB1' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -132.56 174.59 10.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.863 -0.168 . . . . 0.0 110.732 -178.822 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.96 12.75 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.391 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HB2' HD13 ' A' ' 72' ' ' LEU . 15.7 m-20 -87.16 -76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.333 0.587 . . . . 0.0 112.095 -176.613 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -78.08 79.61 4.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.217 -169.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.42 -17.66 62.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 110.565 174.321 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.842 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.78 -6.86 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.35 179.474 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.712 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 65.6 mt -104.09 -28.88 2.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 178.626 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -93.21 -64.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.98 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.64 -54.63 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.268 0.556 . . . . 0.0 111.274 -176.351 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.842 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 93.5 m-20 -72.35 -16.96 61.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.444 -172.484 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.712 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -92.52 -25.35 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.883 -176.228 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.613 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -75.49 68.15 2.11 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' NH2' ' HE3' ' B' ' 421' ' ' LYS . 18.9 mmt180 -129.04 -67.45 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -177.672 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -84.22 32.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.395 -178.521 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.85 135.7 12.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.025 -179.058 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 3.5 mm-40 -84.73 -65.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.847 0.356 . . . . 0.0 110.206 -177.541 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.95 157.15 15.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.247 -175.285 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -123.82 132.49 53.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 111.238 -178.402 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.7 mt -96.42 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.904 175.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 125' ' ' VAL . 43.7 tp -100.74 106.58 18.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.307 -176.265 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.48 140.08 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.09 0.471 . . . . 0.0 111.612 -174.299 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -140.3 172.75 12.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.709 177.281 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.4 p -123.6 147.73 47.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.928 0.394 . . . . 0.0 110.66 179.316 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -81.01 -5.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.981 -175.901 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.602 HG21 HD22 ' A' ' 132' ' ' LEU . 1.1 p -94.78 -44.96 7.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.435 174.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.96 93.26 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.677 178.354 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 46.5 t-80 -60.28 -24.18 64.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 -177.167 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.41 -48.65 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.066 177.162 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.8 p -67.1 -32.38 73.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.368 -175.015 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.25 -46.16 78.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.672 -179.589 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.1 m -72.71 -28.32 62.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.3 0.572 . . . . 0.0 110.434 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.21 -14.11 60.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.25 -177.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 p -50.37 -47.27 56.28 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.107 0.479 . . . . 0.0 111.403 -179.008 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.09 95.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.561 178.098 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.54 -41.65 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.141 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.473 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.9 m-85 -58.7 -48.13 82.18 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.429 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' ILE . 49.8 ttp180 -62.77 -41.82 99.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.821 -178.584 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.69 -35.32 79.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.179 179.014 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -68.76 -31.84 71.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.627 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 107' ' ' PHE . 83.2 mt -66.85 -52.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.643 176.294 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.5 mp -70.01 -13.63 62.31 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.984 0.421 . . . . 0.0 111.132 -179.145 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 113' ' ' ARG . 35.7 ttt180 -71.4 -35.61 71.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.182 0.515 . . . . 0.0 110.031 178.738 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.828 HG23 ' HG3' ' A' ' 115' ' ' LYS . 31.8 m -105.2 -25.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.072 -177.836 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.828 ' HG3' HG23 ' A' ' 114' ' ' VAL . 6.5 mtpm? -129.2 109.08 10.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.361 -179.044 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.95 14.11 0.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.748 0.309 . . . . 0.0 111.543 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -136.11 26.08 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 109.841 -177.011 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -96.24 -174.08 2.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.369 -175.209 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -72.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.167 172.329 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.735 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 73.9 mmtt -145.0 132.25 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.232 -177.073 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.6 mt -108.7 99.57 34.66 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.777 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.721 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 92.3 Cg_endo -84.68 136.39 6.23 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.906 2.404 . . . . 0.0 112.625 -179.551 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.58 149.33 43.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.43 179.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.771 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.5 tp -136.12 114.5 11.69 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.767 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 91' ' ' LEU . 7.4 t -87.04 119.32 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.253 0.549 . . . . 0.0 109.679 -177.879 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.88 136.18 51.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.231 -175.52 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.18 117.8 5.98 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.215 175.606 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 63.8 t30 -107.78 168.82 9.0 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' HD21 ' A' ' 132' ' ' LEU . 2.7 mptm? 73.0 31.65 1.46 Allowed 'General case' 0 C--O 1.223 -0.306 0 O-C-N 123.678 0.611 . . . . 0.0 111.489 -179.385 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.8 m -71.29 -2.46 16.27 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.83 -0.544 . . . . 0.0 110.366 176.598 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.45 -25.76 63.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.78 -177.059 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -81.52 -53.11 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.545 -177.743 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 66.26 -69.84 0.11 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.548 0.739 . . . . 0.0 112.153 -177.655 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.2 pt-20 -61.46 -27.05 68.29 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.127 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 27.9 mtp180 -92.0 18.05 8.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.517 -174.88 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.597 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -68.24 113.26 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.504 -179.765 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 36.6 tt0 -91.11 -29.55 17.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.623 -177.912 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.7 124.21 33.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.776 0.322 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.69 120.18 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.268 1.979 . . . . 0.0 110.895 175.753 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.0 p -71.94 -6.42 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.184 0.516 . . . . 0.0 110.82 -175.214 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.86 -52.78 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.563 176.411 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 11.4 pt-20 -74.86 -21.52 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -178.899 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.0 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 177.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 21.8 mtp180 -67.42 -39.13 85.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.176 0.513 . . . . 0.0 110.112 177.324 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.4 t -56.37 -34.49 66.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.878 176.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 75.2 mmtt -62.6 -47.94 81.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.816 178.027 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.14 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.28 -42.59 88.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.3 -25.16 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.524 -179.394 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -91.9 -4.34 54.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.187 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.72 41.08 89.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.337 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.42 179.21 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.771 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.83 149.19 24.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.787 176.346 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -127.44 114.95 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.607 174.41 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 168' ' ' VAL . 1.4 p -135.71 142.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.048 178.231 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.21 153.43 22.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 111.718 -176.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.0 p -141.16 166.58 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.508 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.9 m -152.67 116.23 4.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.708 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.632 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -86.13 -30.15 22.75 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.487 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.429 ' HD2' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -76.5 -23.03 53.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.933 0.397 . . . . 0.0 110.636 -175.6 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 2.1 p -106.97 -5.46 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.976 174.658 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HG3' ' OE1' ' A' ' 33' ' ' GLN . 6.5 mpt_? 60.16 80.66 0.2 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.474 -179.641 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -150.13 127.53 11.45 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 67.37 5.24 4.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 171.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.491 HG11 ' CB ' ' A' ' 33' ' ' GLN . 18.2 t -69.09 -37.1 76.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 111.079 -175.473 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -72.04 -29.77 64.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.37 -48.08 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.289 -177.778 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.416 HG12 HG13 ' A' ' 155' ' ' VAL . 35.5 m -69.97 -29.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.683 -175.671 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' A' ' 31' ' ' THR . 29.7 m-85 -70.38 -55.91 7.94 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.64 178.672 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.2 m-85 -61.12 -34.68 75.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.24 -178.122 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.9 -51.96 67.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 -178.22 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 176' ' ' ILE . 41.3 tp -69.47 -34.66 74.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.18 0.515 . . . . 0.0 110.246 179.181 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.6 mtp -61.05 -32.25 71.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 178.165 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 27.4 mmt180 -68.41 -43.08 77.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.606 175.935 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.0 mt-10 -60.69 -34.68 74.71 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.392 0.433 . . . . 0.0 111.499 179.078 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 172' ' ' LEU . 72.5 mt -55.88 -32.43 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.391 -178.632 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.9 m -65.84 -34.5 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.712 -178.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.735 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.7 mptt -68.84 -42.28 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -179.388 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -75.02 -29.94 60.95 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm -78.78 -20.8 48.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.795 177.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 7.7 t 65.12 -146.59 0.24 Allowed 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.785 0.678 . . . . 0.0 109.885 177.559 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 14.9 tp10 -77.78 -58.53 3.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.645 -179.443 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 47.38 25.76 0.64 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.442 1.097 . . . . 0.0 112.674 -177.069 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 183' ' ' GLU . 31.4 mmmt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.259 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.841 -0.504 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.795 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 3.7 p -85.61 62.38 7.43 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.873 0.368 . . . . 0.0 110.314 177.135 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -51.03 -60.1 3.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.854 -174.261 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 19.1 m -88.79 -28.11 20.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 -178.529 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.795 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 80.3 mt-30 -62.53 -29.9 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.006 -178.69 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.73 -54.61 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.24 -37.1 92.63 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.136 -179.503 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.424 ' O ' HG13 ' B' ' 402' ' ' ILE . 42.7 mm -58.18 -50.5 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 110.113 177.457 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 402' ' ' ILE . 60.1 mttm -61.31 -34.77 75.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.383 -178.89 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 43.0 mt-10 -61.55 -48.64 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.881 178.387 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' B' ' 404' ' ' ARG . 18.8 mt-10 -68.49 -32.46 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 88.3 mt -57.17 -52.95 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.55 -38.0 71.3 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 178.437 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.463 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 34.6 ttm180 -62.72 -44.81 95.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.855 -178.95 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.481 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.2 mm-40 -75.85 -31.3 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.327 -178.376 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.1 mt-10 -60.37 -41.7 94.28 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.154 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.12 -52.34 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.402 176.588 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HB2' HG21 ' B' ' 432' ' ' VAL . 93.5 mt -58.2 -48.31 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.693 179.642 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.654 ' HG ' ' CE1' ' B' ' 413' ' ' HIS . 18.9 tp -61.63 -45.96 91.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.168 -179.414 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -56.2 -44.4 79.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.086 179.517 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 17.6 t -60.77 -54.73 41.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.265 -178.591 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.592 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -57.86 -31.91 67.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.862 0.363 . . . . 0.0 111.374 178.615 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.654 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 35.8 m170 -69.45 -46.58 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.855 176.27 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -70.73 -52.93 17.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.84 -40.67 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 111.491 -175.24 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -74.17 -25.87 59.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.916 -177.548 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.15 -20.52 65.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 176.188 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.04 -3.78 70.03 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.251 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.51 -0.38 59.72 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.07 178.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 45.3 mt -97.5 116.42 39.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.415 ' HE3' ' NH2' ' A' ' 84' ' ' ARG . 25.5 pttm -138.45 153.1 48.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.292 0.568 . . . . 0.0 110.263 177.445 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.03 163.31 37.27 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.8 mp -63.68 -29.24 70.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.8 -178.004 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.8 t -65.42 -34.97 79.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.847 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 44.3 mmtt -73.35 -47.36 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 -177.228 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 32.6 mt-10 -61.78 -47.75 83.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.957 -175.199 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.72 -36.01 82.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 175.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.531 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 tpt180 -66.53 -39.99 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.474 179.036 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.39 -53.17 60.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.48 179.358 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -64.9 -34.09 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.88 0.372 . . . . 0.0 110.794 178.637 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.662 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 37.2 tt0 -67.83 -56.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.035 -175.174 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.68 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.2 p -64.41 -33.96 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.289 0.566 . . . . 0.0 110.013 -178.85 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.83 -51.38 67.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.805 177.851 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.672 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.3 OUTLIER -70.85 -26.82 63.44 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.132 -175.314 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' B' ' 432' ' ' VAL . 33.6 mt -69.69 -47.11 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.242 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -58.53 -43.91 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.697 178.698 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.672 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.4 t -73.23 -30.23 63.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.656 0.265 . . . . 0.0 111.177 -177.007 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.15 -38.26 85.21 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 174.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.6 -34.34 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.289 175.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 35.2 mmtp -61.74 -41.48 97.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.276 0.56 . . . . 0.0 110.049 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.6 tmt_? -67.09 -42.43 84.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.376 178.806 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -58.67 -34.68 71.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.045 176.487 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.64 87.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.781 178.837 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' B' ' 444' ' ' ARG . 37.3 mtt180 -81.64 -1.94 48.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.687 178.714 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -85.97 -33.26 21.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.224 0.535 . . . . 0.0 109.752 174.625 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.831 -179.984 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.825 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.16 176.23 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.726 0.263 . . . . 0.0 110.573 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 p -75.59 -40.85 55.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.035 0.445 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -87.77 89.31 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.01 -176.785 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER -138.07 60.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.82 0.819 . . . . 0.0 109.599 172.299 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.22 20.75 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.366 -174.682 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.0 tp -123.0 101.86 7.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.023 0.44 . . . . 0.0 109.858 177.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -112.99 133.88 54.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -171.268 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.777 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -96.88 125.32 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.501 0.191 . . . . 0.0 110.822 177.775 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.68 110.24 25.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.57 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -101.97 118.45 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.553 -178.017 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.691 ' HG2' HD12 ' A' ' 90' ' ' LEU . 86.4 mtp -89.94 122.92 33.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.694 178.763 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 92' ' ' VAL . 34.8 m -117.54 152.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 -176.723 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.15 167.67 40.67 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 14.8 t -58.92 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.9 0.35 . . . . 0.0 110.55 -177.92 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -122.26 24.46 6.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.033 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 65.57 44.29 93.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.764 -179.661 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.73 -64.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . -132.19 33.51 2.68 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.268 -177.207 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.786 ' HG2' HG21 ' A' ' 92' ' ' VAL . 4.8 mtmp? -79.16 -21.98 45.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 110.604 -176.568 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 m -92.71 -17.88 23.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.21 -54.62 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.399 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 159' ' ' ALA . 93.1 mt -64.82 -35.66 81.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -177.082 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' MET . 2.5 p -70.46 -37.14 74.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.382 -178.927 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HG ' HG22 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -60.38 -43.96 96.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 109.928 176.934 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.3 mm100 -62.6 -37.26 85.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.953 177.52 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 36.0 t80 -72.36 -12.43 61.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.021 -178.886 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' THR . 89.1 mtp -97.39 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.705 0.288 . . . . 0.0 111.699 -178.364 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 97.6 m-85 -118.88 2.5 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.684 -174.172 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 62.71 18.2 10.42 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.447 0.467 . . . . 0.0 111.722 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 12.0 pt-20 -106.14 155.78 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.549 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -80.03 148.33 31.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 -177.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HG ' ' A' ' 32' ' ' LEU . 33.5 t -69.94 108.09 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.175 -177.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.22 -65.84 0.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 172.578 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -148.94 110.03 4.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.807 0.813 . . . . 0.0 110.061 172.244 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -160.32 91.5 0.93 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.844 176.074 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.7 mm-40 -90.39 -34.58 0.38 Allowed Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.074 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 75.1 Cg_exo -43.71 94.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.479 2.12 . . . . 0.0 113.925 177.575 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.4 p -154.72 22.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.271 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.08 -55.87 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.694 -175.221 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 26.91 6.73 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 171.299 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.01 93.79 4.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.984 -170.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -97.8 171.12 8.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -148.27 150.48 33.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.899 0.381 . . . . 0.0 110.629 177.32 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -95.2 105.97 17.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.125 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 58.8 tptt -101.41 123.9 46.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.113 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 1.1 tmmt? -107.57 120.36 41.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.008 178.218 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 m -127.64 143.8 39.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.908 -179.567 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.9 p -98.57 102.4 13.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.944 0.878 . . . . 0.0 109.967 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.87 99.74 11.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.029 -177.263 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 49.97 70.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.93 -51.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 114.277 172.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.08 135.43 37.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 117.531 0.665 . . . . 0.0 111.279 -173.375 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 45.1 mt-10 -82.69 108.13 15.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.706 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.99 151.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.666 -172.452 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -114.11 139.4 49.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.184 0.516 . . . . 0.0 110.116 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.75 130.01 68.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.67 -176.622 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 6.5 m-20 -87.73 117.46 26.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.379 178.598 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.26 121.8 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.323 177.336 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -121.3 103.91 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.776 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.6 t0 -85.11 91.33 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.289 -176.751 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 79' ' ' ARG . 34.9 p -60.02 153.04 22.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.568 -176.76 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.01 153.15 27.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.08 175.125 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.537 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -99.08 54.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.124 -178.76 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -160.11 152.22 20.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 110.847 179.408 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.65 -13.13 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.507 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -54.11 -64.14 0.92 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 110.264 175.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.592 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.5 m-85 -93.49 55.76 2.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.351 179.397 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -18.39 62.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.916 178.06 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.576 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.12 -7.42 48.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.381 176.802 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG12 ' CE1' ' B' ' 413' ' ' HIS . 78.4 mt -100.47 -41.86 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.225 0.536 . . . . 0.0 110.121 176.243 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HA ' HG22 ' A' ' 69' ' ' THR . 34.0 ttp180 -91.58 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.785 -173.676 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.01 -42.85 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.517 -166.793 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.576 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 11.7 m120 -67.42 -42.33 83.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 111.836 -175.151 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.458 ' OH ' HD21 ' B' ' 409' ' ' LEU . 28.7 m-85 -62.53 -15.73 52.12 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.611 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -59.01 -28.28 66.25 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.53 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.461 ' NH2' ' HA ' ' A' ' 81' ' ' ASN . 1.9 mpp_? -53.72 -52.26 60.69 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.281 0.363 . . . . 0.0 111.904 -175.207 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.536 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 15.0 m -93.84 21.52 6.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -178.528 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.88 143.13 17.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.603 -179.094 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 50.6 mm-40 -88.96 -75.63 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.27 157.19 15.18 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.325 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.54 132.21 48.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.049 0.452 . . . . 0.0 111.291 -174.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 19' ' ' MET . 82.6 mt -99.88 105.7 17.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 178.239 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.7 106.67 12.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.225 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.836 HG12 ' HB ' ' A' ' 126' ' ' VAL . 32.8 m -107.21 134.3 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.226 0.536 . . . . 0.0 111.314 -177.77 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -143.81 150.53 38.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.335 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 97' ' ' GLU . 3.2 p -100.95 148.57 24.85 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.751 177.399 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.57 -7.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.584 -178.314 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.502 ' CG2' HD22 ' A' ' 132' ' ' LEU . 1.6 p -94.97 -45.96 7.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.068 175.551 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 2.1 mp0 -81.44 91.55 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.006 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -65.2 -30.51 71.42 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.458 -172.255 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.83 -19.38 63.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 111.081 -175.445 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.508 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.8 m -66.11 -30.26 70.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.946 0.403 . . . . 0.0 110.739 178.205 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.649 ' HZ ' ' HG3' ' A' ' 146' ' ' LYS . 69.2 t80 -74.44 -24.53 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.312 0.577 . . . . 0.0 110.431 -179.235 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -37.66 62.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.295 0.569 . . . . 0.0 109.59 176.264 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.39 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.229 -179.552 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.743 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 12.4 p -59.33 -28.48 66.86 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.045 0.45 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -48.64 68.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 178.296 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.8 -25.11 61.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.57 -179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.743 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-30 -55.82 -38.15 69.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.134 -177.726 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 150' ' ' TRP . 74.9 mtp180 -53.31 -59.1 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.394 178.201 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.99 -32.13 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.638 -177.743 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.69 -34.64 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.901 0.382 . . . . 0.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.9 mt -72.98 -39.94 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 177.096 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.54 -15.16 63.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -76.17 -32.3 58.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 176.671 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.0 m -100.35 -28.1 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.356 -179.062 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 32.0 mtmt -129.38 110.58 12.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 177.882 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.67 1.65 1.18 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.44 173.681 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.01 23.23 6.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.011 0.434 . . . . 0.0 110.745 -177.518 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.602 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -109.39 -168.09 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.652 -177.794 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.5 m-20 -63.99 -72.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.854 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.944 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 56.9 mmtt -159.27 150.59 20.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.662 0.267 . . . . 0.0 110.512 -179.654 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.9 mt -114.4 101.85 54.45 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -176.593 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 132.77 4.69 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.998 2.465 . . . . 0.0 112.174 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' HG11 ' A' ' 152' ' ' VAL . 6.1 mp -127.5 150.42 49.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.33 178.742 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.834 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.4 tp -144.54 122.47 12.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.165 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.465 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -90.15 118.87 36.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.229 0.537 . . . . 0.0 109.715 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.836 ' HB ' HG12 ' A' ' 92' ' ' VAL . 40.2 t -109.15 112.81 42.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.835 -174.903 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.78 115.25 4.31 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 175.598 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.3 173.6 6.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.044 0.422 . . . . 0.0 111.551 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.2 OUTLIER 74.14 26.56 1.65 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.884 178.224 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 m -72.52 36.22 0.07 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.294 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.9 t70 -103.47 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.303 0.573 . . . . 0.0 110.222 178.517 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.546 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -71.3 -50.61 30.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.227 -179.28 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 66.84 -72.43 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.375 0.67 . . . . 0.0 112.211 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.8 17.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.19 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HB2' HD13 ' A' ' 132' ' ' LEU . 63.7 mtp180 -124.07 14.92 9.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.855 0.359 . . . . 0.0 110.344 176.642 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.601 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 20.8 ttm180 -67.4 113.14 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 0.0 110.145 -179.066 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -87.55 -33.64 18.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.064 -175.658 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.48 129.36 24.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -176.802 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.452 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 11.5 Cg_endo -56.37 110.43 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.676 2.251 . . . . 0.0 111.024 174.232 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.0 OUTLIER -73.09 -16.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.879 0.371 . . . . 0.0 111.026 -173.197 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -49.24 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 177.831 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.452 ' HG2' ' HG2' ' A' ' 139' ' ' PRO . 0.1 OUTLIER -69.11 -26.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.337 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.09 88.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.415 175.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.3 mtp180 -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 174.608 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 t -61.69 -39.19 90.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.431 177.861 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.649 ' HG3' ' HZ ' ' A' ' 101' ' ' PHE . 45.0 mmtm -58.6 -53.13 61.77 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 176.287 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.12 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.707 -178.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.14 -39.88 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.55 -39.51 88.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.212 0.529 . . . . 0.0 110.553 178.465 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.457 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 40.3 m0 -71.98 -12.64 61.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 -179.681 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.56 30.17 41.23 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.938 -178.434 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 123' ' ' LEU . 35.2 m -127.57 179.57 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 121.078 0.466 . . . . 0.0 111.294 -177.904 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.834 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -106.16 151.89 24.16 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.818 176.632 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -120.28 127.03 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.861 174.681 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -126.94 134.97 64.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -178.504 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.57 124.07 31.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.783 174.105 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.0 p -126.72 136.26 52.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.373 0.606 . . . . 0.0 111.961 -175.011 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m -123.83 105.38 9.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.194 176.93 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -79.48 -3.71 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.237 0.541 . . . . 0.0 110.291 179.552 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -77.89 -44.31 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.833 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.0 t -107.17 7.65 29.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 59.41 57.75 3.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.103 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.43 125.56 49.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.359 -177.317 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 70.37 15.09 7.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.1 0.875 . . . . 0.0 112.036 175.332 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 33' ' ' GLN . 56.5 t -67.23 -45.81 85.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.942 0.401 . . . . 0.0 110.255 178.738 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.56 -43.54 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.594 -179.486 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -46.96 -56.48 6.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.289 -177.178 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.58 -32.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -172.834 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -75.23 -51.36 13.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.348 179.756 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.544 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 44.1 m-85 -69.58 -37.49 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.673 -175.752 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.79 -45.48 92.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.517 -177.598 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.94 -42.55 66.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.454 -178.519 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.544 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 17.7 ptp -64.29 -28.78 69.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.723 -176.748 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -59.1 -51.13 71.36 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.535 177.331 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.628 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.2 mm-40 -54.03 -37.32 63.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.421 178.773 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 173' ' ' MET . 67.0 mt -56.28 -29.44 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.447 -177.677 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -66.74 -53.4 33.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.9 m -64.79 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.828 -176.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.944 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 11.3 mptt -59.23 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.66 177.576 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 12' ' ' LEU . 66.8 mttm -75.17 -32.67 61.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.883 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.5 mtt -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 77.0 p 54.02 -95.7 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 112.906 176.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -121.33 107.3 12.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.387 . . . . 0.0 110.968 -175.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 184' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 184' ' ' ASN . 0.3 OUTLIER -163.99 23.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.123 177.394 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 15.2 pttp . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.61 -177.394 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.904 -0.479 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.2 p -75.66 -13.23 60.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.739 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.22 -46.72 82.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 109.137 176.287 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.704 ' O ' HG12 ' B' ' 398' ' ' ILE . 34.3 m -68.88 -49.9 54.28 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.639 179.098 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.28 -38.87 69.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.037 0.446 . . . . 0.0 110.62 -178.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.14 -52.79 64.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.687 175.743 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.45 91.86 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 394' ' ' THR . 45.6 mm -58.27 -49.72 80.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 178.14 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -59.33 -38.85 81.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.196 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.87 -39.64 83.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.928 178.03 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' B' ' 439' ' ' LEU . 50.6 mt-10 -65.62 -43.37 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.853 176.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.664 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.4 mt -55.72 -53.14 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.303 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -54.84 -41.22 70.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 178.518 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 71.0 ttt180 -59.88 -52.03 67.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.707 178.163 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.1 mm-40 -70.54 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.73 -176.082 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' B' ' 436' ' ' LEU . 44.0 mt-10 -60.12 -47.96 83.73 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.67 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.77 -42.53 85.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 96.0 mt -58.74 -47.91 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 110.452 178.32 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.621 HD23 HG13 ' B' ' 432' ' ' VAL . 3.2 tm? -72.41 -36.89 68.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.446 -179.037 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 177.791 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 26.6 t -59.71 -49.65 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.042 178.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 70.3 mt -58.51 -40.52 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 110.539 176.097 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.423 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.1 m170 -62.79 -45.54 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.777 -179.497 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -76.94 -30.12 55.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.17 -53.47 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.24 0.543 . . . . 0.0 110.984 178.443 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.592 HD12 HD11 ' B' ' 429' ' ' LEU . 70.3 mt -68.5 -25.95 65.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.624 -176.142 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.97 -17.0 62.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.639 179.336 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.17 12.47 62.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.115 178.291 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.52 -31.72 7.78 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 50.4 mt -58.19 137.6 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.824 0.45 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.481 ' HA ' HD22 ' B' ' 416' ' ' LEU . 8.8 ptpp? -159.98 149.62 18.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.278 0.561 . . . . 0.0 111.161 174.431 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.7 t70 -150.41 159.15 44.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.035 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.451 ' H ' HD23 ' B' ' 423' ' ' LEU . 2.6 pt? -64.1 -29.26 70.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.245 -179.834 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.7 m -64.78 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.178 0.513 . . . . 0.0 110.269 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 31.6 mmtt -69.37 -53.32 20.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.094 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.66 -46.3 84.43 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.188 -174.463 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.91 -41.22 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.908 -178.307 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.538 ' O ' HG12 ' B' ' 432' ' ' VAL . 26.0 tpt180 -70.7 -31.63 68.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.35 -179.386 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.592 HD11 HD12 ' B' ' 416' ' ' LEU . 14.4 mt -55.81 -56.41 20.91 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.053 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.61 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 53.8 m95 -61.43 -41.79 97.74 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.43 0.456 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 28.2 mm-40 -64.22 -56.44 14.62 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.882 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.621 HG13 HD23 ' B' ' 409' ' ' LEU . 14.8 p -62.1 -34.29 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.271 0.558 . . . . 0.0 109.945 -178.685 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -57.31 -53.37 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.042 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.748 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.94 -26.68 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.023 -178.426 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.0 mt -65.91 -45.93 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.6 tp -58.1 -42.67 86.19 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 175.752 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.748 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -73.56 -31.14 63.47 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.517 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.84 -36.45 83.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 173.327 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.985 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -63.23 -38.29 90.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.946 176.019 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.92 -34.06 76.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.027 177.089 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.97 -46.45 81.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.771 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.985 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.2 mtpt -59.06 -36.11 74.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 178.156 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -66.26 -41.69 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.458 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -82.08 -5.18 58.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.111 0.481 . . . . 0.0 110.568 178.505 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.49 -34.72 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.179 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.798 -178.08 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.444 " H1'" ' HB2' ' A' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -84.29 -40.28 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.969 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -164.87 -72.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.069 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -144.83 66.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.923 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt -124.44 -19.09 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.329 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.55 10.91 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.567 0.699 . . . . 0.0 110.532 177.863 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -139.14 129.91 26.14 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.013 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -129.31 152.45 48.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.905 0.383 . . . . 0.0 111.05 -175.598 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -122.02 109.01 14.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.3 177.639 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.55 119.24 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.143 179.899 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 83' ' ' PHE . 62.5 mt -115.02 131.62 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.3 mtt -92.66 117.38 29.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.082 0.468 . . . . 0.0 110.107 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.95 133.25 40.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.776 -178.728 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.07 157.4 29.62 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 p -72.98 -82.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.174 -176.542 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.74 -74.26 1.25 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.69 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.49 66.11 0.32 Allowed Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.668 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.747 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.5 t -83.41 49.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.217 0.532 . . . . 0.0 110.456 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.13 15.76 74.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.632 179.482 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' HG21 ' A' ' 92' ' ' VAL . 59.4 pttt -76.06 15.02 0.6 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.681 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -130.28 -14.23 3.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.799 173.06 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' HB2' H5'1 ' A' ' 500' ' ' GNP . . . -72.83 -55.49 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.662 -174.169 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.02 -36.63 80.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.401 -174.281 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -64.7 -40.85 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.716 179.637 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' VAL . 22.4 tp -64.78 -42.45 95.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 86.2 mt-30 -65.39 -35.94 82.46 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 177.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.19 -39.11 68.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 179.029 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.515 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 60.2 mtm -83.15 -50.74 8.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.106 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 80.8 m-85 -105.54 -3.05 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 21.8 t70 74.91 -15.31 0.66 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.113 0.565 . . . . 0.0 111.976 178.239 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.13 154.07 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.513 . . . . 0.0 111.26 -172.809 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HD1' ' NE2' ' A' ' 33' ' ' GLN . 83.8 t80 -77.5 152.51 34.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.825 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.4 t -59.08 99.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.242 0.544 . . . . 0.0 111.43 -177.365 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -90.48 -47.77 7.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -169.3 120.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.576 175.581 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 9.4 t80 -134.14 101.61 5.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 41.9 tt0 -78.03 -56.24 1.08 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.708 -177.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 15.7 Cg_endo -56.93 118.92 5.86 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.106 1.871 . . . . 0.0 111.626 179.293 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -165.2 0.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.524 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HE3' HD21 ' A' ' 72' ' ' LEU . 38.7 mmtm -84.88 -59.65 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.5 176.415 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.25 -5.88 6.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.31 0.576 . . . . 0.0 110.694 172.559 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -91.36 87.36 6.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.47 -173.81 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -101.58 -171.77 2.04 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 173.493 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 78.2 t80 -132.59 137.95 47.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.992 0.425 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' B' ' 434' ' ' ARG . 29.8 ttm180 -88.97 119.89 29.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 58.6 tptt -97.87 133.63 42.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.781 -176.56 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -100.25 126.54 46.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 175.271 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.89 178.27 5.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.7 p -140.88 103.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.524 0.678 . . . . 0.0 109.462 172.402 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.478 ' H ' HG23 ' A' ' 62' ' ' VAL . 34.5 tp -88.5 97.27 10.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.109 -173.444 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 42.79 63.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 124.342 1.026 . . . . 0.0 112.24 177.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.94 -89.61 0.2 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.344 -1.408 . . . . 0.0 114.418 177.336 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 56' ' ' VAL . 15.3 pt-20 -101.13 154.8 18.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.618 0.247 . . . . 0.0 110.519 -172.467 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -69.44 128.3 36.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.282 0.563 . . . . 0.0 110.41 -179.407 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 57' ' ' LEU . 2.2 t -112.5 143.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.794 -174.807 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 11.4 mm100 -112.15 119.14 37.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.864 -177.432 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -109.12 116.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.38 0.609 . . . . 0.0 109.659 177.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 26.1 t0 -95.4 120.66 36.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.149 -176.734 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.27 143.49 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.014 0.435 . . . . 0.0 111.331 -171.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.535 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 59.6 tp -122.85 112.99 18.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.306 172.776 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -91.04 115.73 28.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.031 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -86.48 134.2 33.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 111.776 -173.568 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 150.66 25.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.671 176.283 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.74 51.99 4.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.888 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.612 HD21 ' HE3' ' A' ' 47' ' ' LYS . 1.5 pp -158.41 169.08 25.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -177.476 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -102.81 -13.7 16.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.963 175.343 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -44.01 -70.2 0.11 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.146 -0.934 . . . . 0.0 113.431 -176.026 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.0 m-85 -61.24 -20.12 62.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.698 -170.608 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.21 -65.91 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.873 1.358 . . . . 0.0 112.689 176.595 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.973 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.57 -31.34 24.21 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.264 1.026 . . . . 0.0 112.351 -176.673 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 50.9 mt -67.18 -32.99 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.973 0.416 . . . . 0.0 110.209 178.818 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -94.61 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.433 178.689 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -46.68 21.69 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -170.199 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.973 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 27.6 m-80 -71.89 -22.63 61.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -172.619 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -82.13 -30.97 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 17.8 m-30 -65.57 -15.39 62.67 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -172.799 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -53.47 -53.56 49.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.726 0.298 . . . . 0.0 111.393 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -94.26 43.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.649 0.738 . . . . 0.0 109.761 176.965 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.59 157.61 21.34 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.118 178.592 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -121.02 -81.42 0.64 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.14 146.04 16.07 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 -179.34 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.82 135.68 51.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.345 -176.715 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 124' ' ' LEU . 90.7 mt -102.1 117.12 34.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.807 175.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.632 HD21 HD23 ' A' ' 123' ' ' LEU . 64.5 mt -86.79 106.76 17.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.849 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 27' ' ' LYS . 26.9 m -102.13 121.89 53.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.187 0.518 . . . . 0.0 111.334 -176.521 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.747 ' HA ' HG11 ' A' ' 25' ' ' VAL . 10.4 p90 -143.33 151.28 40.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.839 176.165 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 t -110.82 145.02 38.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.178 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.66 11.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.97 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.467 HG21 HD13 ' A' ' 132' ' ' LEU . 18.1 p -104.91 -23.44 12.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 173.179 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -96.79 107.13 19.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.2 -176.001 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -67.08 -27.78 67.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.06 -50.51 68.95 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.138 174.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 22.0 m -64.35 -36.18 83.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.384 -176.791 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.2 -49.36 72.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.719 0.295 . . . . 0.0 110.599 -179.319 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -69.28 -27.85 65.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.243 0.544 . . . . 0.0 110.684 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.23 -15.38 61.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.358 -178.031 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -55.28 -48.83 73.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.58 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.391 176.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -43.05 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.0 m-85 -58.13 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.289 176.517 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.994 -178.019 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -62.89 -36.16 82.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.589 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.3 mt -65.93 -47.34 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.583 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.7 mp -69.78 -12.95 62.03 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -76.23 -32.96 59.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.676 0.274 . . . . 0.0 110.309 177.342 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 29.2 m -107.94 -26.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.725 -178.738 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.902 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 9.4 mtmt -118.9 106.63 12.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 178.159 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.57 22.91 0.23 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.4 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.92 10.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.274 -169.943 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.902 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.27 -78.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.615 -175.159 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 38.6 t70 -155.99 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.548 179.026 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -134.27 154.41 51.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.676 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.3 mt -127.88 98.99 26.45 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.83 0.348 . . . . 0.0 110.734 -175.457 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.43 123.76 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.517 2.811 . . . . 0.0 112.5 178.525 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.632 HD23 HD21 ' A' ' 91' ' ' LEU . 6.6 mp -116.98 135.57 53.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.204 177.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.772 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -117.63 121.41 40.83 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.283 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 91' ' ' LEU . 16.5 t -81.87 120.38 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.222 -178.543 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.35 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.632 -176.374 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.77 101.29 2.03 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 179.386 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.17 129.97 35.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.011 0.434 . . . . 0.0 111.353 -176.357 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.722 ' HG3' ' C6 ' ' A' ' 500' ' ' GNP . 31.9 mtpt 69.85 50.56 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.396 174.499 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -63.72 -12.13 31.97 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 167.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -53.85 -22.61 10.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.13 170.536 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 95' ' ' ILE . 36.3 mt -92.05 87.25 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 177.254 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 -37.8 13.03 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.287 0.565 . . . . 0.0 110.046 176.044 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.5 pt-20 -82.3 -18.04 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.119 -175.464 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 81.6 mtp180 -111.59 8.52 20.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 -174.834 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -58.66 114.23 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.768 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.51 -41.42 13.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.6 p -108.38 126.01 30.59 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.074 -177.16 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.83 119.39 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.557 2.172 . . . . 0.0 111.017 175.416 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.637 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -71.29 -16.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.078 -174.039 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.6 mp0 -56.25 -49.73 73.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.638 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.85 -11.37 59.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 110.915 -178.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -83.8 -45.86 12.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.425 176.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 23.5 mtm180 -58.96 -38.58 79.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.138 0.494 . . . . 0.0 110.441 174.509 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -57.98 -28.11 64.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.952 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -67.22 -48.55 67.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.74 88.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.451 176.886 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.33 -45.78 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.006 176.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.76 -41.69 91.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.308 179.493 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -85.83 -0.86 56.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.456 -174.327 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.71 38.01 61.26 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.776 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.8 -171.18 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.623 0.249 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.772 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -110.75 160.66 16.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.029 0.442 . . . . 0.0 111.211 179.429 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 37.6 t80 -125.7 123.24 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.68 175.776 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.93 125.41 73.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.566 -178.585 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.79 127.4 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.8 p -124.85 142.72 51.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.852 -176.651 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 m -135.82 108.21 7.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.221 176.671 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.447 ' H ' ' C6 ' ' A' ' 500' ' ' GNP . . . -66.46 -13.14 60.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 178.477 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' HE3' ' N2 ' ' A' ' 500' ' ' GNP . 5.2 tppp? -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.564 177.082 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 7.9 p -127.75 3.54 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.146 -178.364 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 56.21 39.28 30.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.226 -177.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.44 131.3 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.335 -176.257 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 70.23 6.48 5.8 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.078 0.861 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.5 -33.35 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.19 0.519 . . . . 0.0 110.051 178.662 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.51 -47.66 82.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.831 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.26 -52.11 67.06 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.157 -170.525 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 23.8 m -53.26 -35.51 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.827 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -76.28 -54.06 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.706 0.289 . . . . 0.0 111.589 178.701 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.16 -38.24 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.751 -175.366 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.56 -48.85 75.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.222 -177.638 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.02 -34.53 78.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 56.4 mtm -64.05 -31.03 72.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.284 178.136 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -67.06 -46.55 73.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.563 175.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.5 mm-40 -52.36 -42.54 64.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.702 176.096 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.5 -40.38 58.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -71.29 -40.99 70.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 -177.699 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.9 m -59.78 -42.01 92.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.511 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.6 mptt -63.94 -49.93 70.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.824 177.602 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -60.26 -35.85 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.033 -178.085 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 73.4 mtm -85.69 -2.66 58.42 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.201 -178.592 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 20.7 m 62.17 19.65 11.08 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.773 177.005 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.29 99.38 4.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.673 0.749 . . . . 0.0 110.361 -177.409 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.42 13.79 25.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.789 -178.857 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.635 -178.776 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.9 p -129.84 31.35 4.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.032 0.444 . . . . 0.0 110.493 -176.782 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 5.0 mp0 -57.12 -26.31 60.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.052 -175.518 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 70.8 m -111.34 -35.32 5.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.359 0.6 . . . . 0.0 110.532 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.05 -27.75 69.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.944 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.0 -56.17 25.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.529 -178.869 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.08 -36.34 92.78 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.235 -179.325 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.63 ' O ' HG13 ' B' ' 402' ' ' ILE . 35.2 mm -56.23 -54.88 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.027 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.54 -42.59 88.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.695 -177.009 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.69 -45.58 89.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.081 0.467 . . . . 0.0 111.038 -179.183 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 16.2 mt-10 -79.7 -24.8 41.46 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.49 -176.902 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.731 HG12 ' HG ' ' B' ' 439' ' ' LEU . 63.2 mt -59.15 -52.85 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.894 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.08 -29.46 69.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 7.7 ttm-85 -62.86 -46.22 88.89 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.651 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.502 ' HB2' HD23 ' B' ' 436' ' ' LEU . 33.1 mm-40 -72.92 -41.56 64.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -178.388 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.73 -36.47 78.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.518 177.914 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -62.26 -50.2 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.206 174.147 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 412' ' ' LEU . 73.6 mt -57.01 -48.41 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 16.2 tp -65.08 -44.61 88.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.448 -178.815 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.21 -42.69 77.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.784 177.642 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 36.9 m -59.23 -53.77 54.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.588 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -58.33 -43.12 88.1 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.49 177.029 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.438 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 6.7 m-70 -59.04 -47.3 85.73 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -76.88 -43.83 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.186 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -47.42 82.07 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.485 0.659 . . . . 0.0 111.452 -175.546 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 425' ' ' LYS . 5.6 mp -64.58 -24.87 67.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.842 -171.067 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.28 -27.03 53.97 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.686 0.279 . . . . 0.0 111.19 179.12 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.65 -8.91 82.15 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.229 -176.485 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.69 -3.66 49.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.337 179.228 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.25 117.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.506 ' HB2' ' HE2' ' B' ' 425' ' ' LYS . 24.5 pttm -135.25 145.11 47.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.756 0.789 . . . . 0.0 112.083 -176.698 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.1 t70 -149.09 166.4 28.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.383 -1.281 . . . . 0.0 107.755 178.401 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.03 -30.96 70.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.498 0.666 . . . . 0.0 109.319 174.858 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.4 m -63.69 -44.89 92.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.269 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -66.76 -38.31 86.34 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -170.602 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.7 pt-20 -73.37 -40.81 64.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.244 -178.655 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 24.6 mm-40 -66.52 -48.14 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.203 175.735 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.559 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.0 mmt180 -60.62 -37.61 82.02 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.754 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.3 mt -55.63 -53.95 50.17 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.481 0.488 . . . . 0.0 110.503 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.621 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 63.5 m95 -66.59 -38.22 86.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.76 -178.421 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 51.4 mt-10 -58.64 -56.66 19.3 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.949 -178.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 7.4 p -66.35 -32.37 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.227 0.536 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 22.7 tp60 -55.57 -56.53 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 176.659 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.621 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.09 -26.72 63.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.39 -176.421 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.7 mt -64.55 -50.91 73.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.004 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.5 tm? -58.77 -46.06 88.37 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.288 -176.623 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.542 HG22 ' HA ' ' B' ' 434' ' ' ARG . 1.8 t -62.37 -45.41 93.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.273 -177.309 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.03 -38.39 88.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.201 0.524 . . . . 0.0 109.845 177.363 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.731 ' HG ' HG12 ' B' ' 402' ' ' ILE . 35.2 tp -66.98 -38.1 85.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.786 -178.581 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 9.5 mmmm -64.85 -37.71 88.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.002 0.429 . . . . 0.0 110.121 176.752 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.739 175.585 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.56 -31.2 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.152 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.655 ' HB2' HD11 ' B' ' 402' ' ' ILE . 61.8 tp -65.07 -48.36 74.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.261 175.452 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -5.51 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.346 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -100.93 -9.71 21.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.179 177.46 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.722 ' C6 ' ' HG3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -140.95 93.13 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.9 m 63.41 -174.23 0.16 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.333 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -96.97 101.61 13.23 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.126 0.488 . . . . 0.0 109.937 177.411 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt -109.19 5.77 24.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.3 -178.797 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -91.15 13.25 17.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.35 -178.181 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -130.01 124.59 33.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.566 178.091 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 46.0 m-70 -128.92 136.0 49.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.587 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 1.091 ' HE2' ' HB2' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -119.24 114.17 22.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.901 0.382 . . . . 0.0 110.583 179.697 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.36 127.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.897 -177.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.28 124.91 68.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.812 177.223 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 ttm -91.49 114.33 26.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.817 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -109.19 162.67 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.076 0.465 . . . . 0.0 111.591 -175.69 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.9 -155.45 26.73 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -83.28 -155.36 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.733 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -53.74 -59.76 9.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 177.373 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.59 -78.28 0.22 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.102 -1.046 . . . . 0.0 112.831 179.343 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t 72.86 -54.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.641 0.776 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 155.72 26.58 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.215 -179.113 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 28' ' ' SER . 18.8 ptpt -71.99 -54.33 10.27 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.298 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 25.6 m -64.98 -23.48 67.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.724 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.65 -39.04 70.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.809 178.428 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 128' ' ' ASN . 96.7 mt -63.12 -44.66 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -177.443 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -69.88 -34.49 73.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.016 -178.425 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.9 tm? -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.721 176.481 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.9 mm100 -57.62 -39.2 76.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.736 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -72.08 -7.87 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.633 -175.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.673 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 62.0 mtm -118.42 -4.58 10.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.886 -0.509 . . . . 0.0 112.009 -178.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 46.2 m-85 -138.43 -37.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.468 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 21.4 t0 70.99 16.06 6.54 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.442 1.115 . . . . 0.0 109.156 -170.684 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -122.26 151.18 41.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.423 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -80.25 126.6 31.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.422 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.691 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -61.75 124.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -175.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -102.49 -30.27 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.47 178.119 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.43 100.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -167.19 102.07 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.481 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.82 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 mm-40 -110.55 -46.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.835 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 6.1 Cg_endo -48.38 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.707 2.271 . . . . 0.0 113.186 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.1 p -151.2 11.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 179.076 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -73.3 -40.79 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.35 0.595 . . . . 0.0 109.756 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 -21.24 5.16 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.1 176.1 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -77.37 104.3 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.533 . . . . 0.0 111.022 -178.636 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -101.78 165.74 11.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.282 176.78 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.24 127.3 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 0.0 112.087 -174.03 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HE ' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttt180 -81.31 110.78 17.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.711 178.3 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.673 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 45.3 tptt -104.5 125.46 50.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.48 179.291 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -107.55 125.61 51.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.735 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -133.5 150.38 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.47 117.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 171.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.95 96.89 6.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.472 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 41.54 77.93 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.445 1.091 . . . . 0.0 111.552 -176.549 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.65 -111.16 0.52 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.789 -1.196 . . . . 0.0 114.472 178.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.34 160.67 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.298 -169.274 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.69 112.32 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.059 178.66 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.9 t -107.6 151.5 9.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.197 -174.805 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.403 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 24.7 mt-30 -113.64 141.43 47.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.215 0.531 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 9.2 tt -150.61 114.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.229 175.938 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 1.091 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 5.3 m-20 -88.85 134.99 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.41 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.496 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 43.7 mm -107.31 130.57 59.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.945 0.402 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 82' ' ' TYR . 34.5 tp -109.92 123.99 50.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 33.9 t70 -97.41 135.6 39.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.25 178.912 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.8 p -101.49 138.16 38.85 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.619 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.97 133.84 35.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 174.928 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -95.4 70.03 1.04 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.091 -178.27 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -147.51 167.01 25.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -176.689 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -91.85 -6.91 50.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.711 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -58.71 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.625 -178.388 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.529 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 7.6 m-85 -115.28 92.42 3.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.965 -175.197 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.615 0.721 . . . . 0.0 109.527 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.753 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.46 -6.84 46.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.533 177.615 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.6 mt -97.82 -37.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 0.0 110.119 175.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -91.84 -66.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.997 0.427 . . . . 0.0 111.264 -178.689 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.14 -49.96 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.951 -170.928 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.753 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 56.2 m-80 -69.33 -17.4 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.381 -172.664 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.1 m-85 -92.1 -11.74 34.89 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.643 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 114' ' ' VAL . 8.0 m-30 -77.97 5.73 9.22 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.505 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HG2' ' OE1' ' B' ' 426' ' ' GLU . 2.0 mpt_? -87.96 -76.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.276 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.0 m -79.33 44.11 0.58 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.234 0.54 . . . . 0.0 112.036 -176.938 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.15 18.59 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.469 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.628 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.5 mt-10 -119.83 -62.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.158 0.479 . . . . 0.0 111.034 -176.676 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.34 127.26 7.84 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.022 -176.35 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -128.54 131.96 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 111.105 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.3 mt -104.66 122.46 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.198 177.144 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 mt -93.37 107.69 19.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.785 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.647 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.7 m -108.44 129.62 62.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.398 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -138.66 166.1 25.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.771 176.002 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 p -103.11 138.97 39.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.368 -179.028 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.59 9.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 111.499 -177.951 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.632 HG21 HD13 ' A' ' 132' ' ' LEU . 12.1 p -115.7 -11.2 11.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.713 0.292 . . . . 0.0 111.57 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -113.27 112.24 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.441 . . . . 0.0 110.425 -179.856 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -74.63 -20.71 59.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.24 -52.21 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.274 175.409 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.6 p -70.38 -28.79 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.35 -50.02 75.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.486 176.658 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -68.26 -34.33 76.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.294 0.569 . . . . 0.0 110.814 178.333 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.24 -20.25 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.4 -176.378 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.1 p -55.21 -36.49 66.02 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.056 0.455 . . . . 0.0 111.437 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.46 72.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.55 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.5 -34.84 79.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.21 -177.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 21.6 m-85 -56.95 -42.12 79.53 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 176.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -68.31 -48.31 65.25 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.041 174.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.15 -39.49 66.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.922 -175.055 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -34.51 76.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.92 0.39 . . . . 0.0 110.216 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.06 -41.52 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 177.775 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.66 -27.46 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 176.613 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -66.74 -37.65 85.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.623 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.7 m -92.08 -12.08 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.545 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 114' ' ' VAL . 60.1 mttm -122.56 -115.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.739 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.36 -45.85 0.42 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.13 0.972 . . . . 0.0 112.747 -178.158 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.39 15.99 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 0.0 111.326 -178.6 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -108.07 -149.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.95 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.493 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 21.6 t0 -91.12 -80.03 0.35 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.289 -172.296 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.7 mptt -139.32 144.13 38.15 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 122.055 -0.403 . . . . 0.0 110.947 -179.202 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.4 mt -112.94 92.33 20.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 176.749 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 27.4 Cg_exo -61.79 104.98 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 178.817 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mt -105.23 144.05 32.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 125' ' ' VAL . 6.0 tp -147.51 121.61 9.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.705 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.502 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.5 t -89.85 115.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.282 -176.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.647 ' HB ' HG12 ' A' ' 92' ' ' VAL . 56.1 t -112.36 114.42 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.173 -177.603 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.53 117.13 4.41 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 177.714 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 8.2 p30 -107.95 170.55 7.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.048 0.424 . . . . 0.0 110.451 -179.35 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.528 ' HD2' ' N2 ' ' A' ' 500' ' ' GNP . 14.0 mmmm 67.51 16.66 9.97 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.919 0.762 . . . . 0.0 110.719 -177.378 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.9 m -67.54 -6.28 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 111.15 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -3.54 32.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.029 174.876 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.632 HD13 HG21 ' A' ' 96' ' ' THR . 64.0 mt -71.69 -48.33 48.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.692 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 64.74 -75.69 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.682 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.42 -31.05 65.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.218 -173.787 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 96' ' ' THR . 64.4 mtt180 -82.29 1.65 35.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.852 -177.05 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.8 ttm105 -52.8 113.35 1.06 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.107 0.48 . . . . 0.0 110.187 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -91.65 -29.44 16.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.832 -174.514 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.8 p -106.75 124.28 35.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.439 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 116.84 3.33 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.537 2.158 . . . . 0.0 110.554 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.696 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.51 -16.31 13.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.546 -169.635 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.523 ' OE1' ' HD3' ' A' ' 144' ' ' ARG . 5.5 tp10 -61.62 -47.48 85.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.384 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.29 -21.21 61.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 110.507 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.56 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.631 173.404 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 41.2 mtp180 -67.46 -34.28 76.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.634 175.414 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.0 t -60.76 -34.62 74.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.631 178.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.4 mmtt -65.01 -33.1 75.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.166 178.66 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.76 -41.73 96.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.888 0.375 . . . . 0.0 110.238 175.716 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.08 -36.06 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.965 178.831 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.23 -40.65 94.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.856 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -91.58 -11.55 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.193 -176.08 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.92 35.37 18.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 178.818 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.61 -175.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -105.66 155.42 19.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.198 175.688 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.3 t80 -123.14 128.56 50.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.769 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.14 129.59 50.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.191 -178.653 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.91 135.8 33.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.988 0.423 . . . . 0.0 110.056 176.34 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.711 ' HB ' HG22 ' A' ' 165' ' ' VAL . 43.6 p -124.85 129.56 50.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.207 -176.292 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.9 m -91.68 115.78 28.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.518 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.87 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -90.93 -24.65 20.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.149 -173.66 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -74.98 -21.91 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.0 p -123.4 -5.46 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 -176.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? 61.21 87.13 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 -178.652 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.41 130.97 21.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.877 178.443 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 73.06 -15.14 0.55 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.813 0.845 . . . . 0.0 112.289 176.593 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.711 HG22 ' HB ' ' A' ' 157' ' ' THR . 25.6 t -59.81 -39.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.562 . . . . 0.0 110.78 -178.06 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 -38.02 85.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.33 -175.786 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 171' ' ' ASP . 20.0 ttpp -65.49 -48.61 71.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.845 -169.735 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.84 -31.27 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.555 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 173' ' ' MET . 80.0 m-85 -67.92 -43.64 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -69.78 -46.27 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.092 -178.418 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 167' ' ' LYS . 46.0 m-20 -57.44 -46.39 83.63 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.314 0.383 . . . . 0.0 111.522 -178.117 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.7 tp -60.66 -30.86 70.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 19.9 mtt -62.39 -31.1 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -179.324 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 0.0 OUTLIER -71.71 -44.82 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.486 179.321 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 10.4 mm-40 -55.15 -50.96 67.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.292 -0.163 . . . . 0.0 111.432 173.856 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 172' ' ' LEU . 69.7 mt -56.14 -48.13 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 17.3 ptp180 -65.93 -29.12 69.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.654 -177.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.1 m -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.597 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 64.0 mmtt -68.38 -35.79 78.21 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.324 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 23.0 mmmt -66.98 -31.96 72.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -179.837 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.6 mtt -71.05 -34.39 71.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 176.659 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 56.2 m 66.56 169.67 0.24 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.084 176.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.97 86.69 7.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 109.471 179.614 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.94 13.91 32.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.262 -178.132 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.657 -175.215 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 17.5 p -156.67 28.97 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.965 0.412 . . . . 0.0 110.122 -179.481 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 2.4 mp0 -46.84 -52.5 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.757 -178.827 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 13.9 m -89.02 -34.07 16.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.589 -178.512 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.51 -28.93 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.499 -177.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.98 -56.05 18.94 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.222 0.326 . . . . 0.0 111.656 -177.682 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.2 97.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.194 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.553 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.1 mm -58.89 -50.56 79.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.805 179.376 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.26 -33.53 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.73 -176.471 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.4 mt-10 -62.52 -43.68 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 177.339 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.84 -32.36 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.105 179.088 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.617 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.3 mt -60.13 -47.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.852 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.66 -39.75 68.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 175.68 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 12.8 ttp180 -61.99 -47.49 84.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.049 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.413 ' OE1' HG23 ' B' ' 432' ' ' VAL . 70.6 mm-40 -73.76 -34.71 64.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.672 -177.73 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 436' ' ' LEU . 60.0 mt-10 -61.44 -44.13 97.66 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.793 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.39 -51.68 67.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.859 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.602 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.0 mt -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.096 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 65.2 tp -71.85 -32.77 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.375 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -66.99 -41.34 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.147 0.499 . . . . 0.0 109.862 175.516 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.8 t -60.03 -53.45 57.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -55.99 -44.74 78.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 174.614 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.4 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 7.3 m-70 -61.37 -46.82 88.61 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -177.104 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -76.54 -36.23 57.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.582 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.13 -40.64 86.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -173.233 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 90.0 mt -63.38 -33.9 76.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -170.038 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 75' ' ' TYR . 1.5 mp0 -64.92 -15.79 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.867 -179.362 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.12 -4.48 63.39 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.655 -178.722 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.73 35.68 5.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.214 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 74.6 mt -119.46 138.15 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.057 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -145.77 143.68 29.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.633 0.73 . . . . 0.0 111.854 178.594 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.9 t70 -149.4 159.48 44.25 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 169.806 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.33 -29.56 70.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.918 0.866 . . . . 0.0 109.108 175.234 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.2 m -65.37 -38.28 89.58 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.709 -178.562 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.0 OUTLIER -69.89 -29.35 66.53 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.165 -173.277 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.691 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 1.9 mt-10 -72.47 -47.9 45.13 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.312 0.577 . . . . 0.0 109.543 179.356 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.8 mm-40 -64.3 -40.44 95.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.586 176.728 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.614 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -60.27 -41.67 93.77 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.121 178.839 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 20.1 mt -55.22 -49.39 72.07 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.276 0.36 . . . . 0.0 110.38 178.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 90.3 m95 -65.62 -45.89 81.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.198 179.052 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 50.2 mt-10 -57.35 -54.9 41.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.621 0.248 . . . . 0.0 111.575 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -64.49 -35.9 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.629 -172.823 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -69.77 -29.69 67.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -177.796 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 434' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -70.07 -35.21 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 177.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' B' ' 432' ' ' VAL . 2.8 mt -70.86 -42.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.488 175.538 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.2 tm? -55.74 -45.15 78.05 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.536 178.426 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.3 t -75.87 -36.29 59.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.016 -174.177 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.52 -38.64 84.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.107 0.479 . . . . 0.0 110.231 177.496 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.617 ' HB3' HG12 ' B' ' 402' ' ' ILE . 26.4 mt -68.16 -40.95 82.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.354 178.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' B' ' 443' ' ' LEU . 38.5 mttp -66.77 -30.2 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.797 177.028 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.512 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 2.8 tmt_? -66.58 -45.41 79.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.011 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.4 mmmm -63.49 -26.19 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 177.375 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.551 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.8 tp -63.94 -42.5 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.493 174.388 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.41 -8.4 59.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 177.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.492 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 5.2 tp10 -83.84 -26.74 29.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.677 175.575 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.756 -179.218 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.87 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 12' ' ' LEU . 53.7 tt0 -139.43 124.21 18.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.901 0.381 . . . . 0.0 110.392 -179.543 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -68.18 155.44 39.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.287 -172.587 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m 68.07 16.49 9.49 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.628 175.612 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 9' ' ' GLN . 40.1 mt -105.19 -27.24 11.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.192 177.206 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.95 11.41 27.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 0.0 110.397 178.735 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 92.6 mt -131.51 117.44 18.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.554 177.827 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -123.09 142.86 50.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.652 -176.776 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' CD ' ' A' ' 87' ' ' GLU . 1.2 mmtp -123.12 118.15 27.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.711 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 66' ' ' ILE . 7.3 p -121.86 128.83 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.228 0.537 . . . . 0.0 109.696 175.8 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -106.09 129.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.631 -177.106 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 17.9 mmt -81.89 107.22 14.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.564 174.343 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.6 m -94.74 140.46 16.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 110.365 -177.313 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 157.92 158.49 9.01 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 49.6 m -101.1 -71.2 0.72 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -178.002 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.44 148.42 48.54 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 173.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.63 58.5 4.47 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.51 -177.295 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.98 -50.83 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 122.961 0.504 . . . . 0.0 111.234 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.24 30.64 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.503 176.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 53.0 pttt -79.64 1.41 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.573 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -117.67 -24.41 7.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 175.779 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.87 -53.96 13.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.261 -175.207 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.45 -33.53 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.648 0.737 . . . . 0.0 110.348 -179.197 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.614 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.44 -47.1 80.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.378 -173.551 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 40' ' ' VAL . 7.3 tt -71.78 -28.09 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -175.365 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.589 HE22 ' HA ' ' A' ' 39' ' ' PHE . 10.7 mm100 -59.89 -45.76 91.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.19 0.519 . . . . 0.0 109.845 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -72.73 -32.1 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.638 177.368 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.43 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 44.9 ttm -66.22 -50.87 62.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.322 -178.89 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 41.5 m-85 -101.08 -82.82 0.46 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.671 179.177 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 27.4 t70 171.62 -46.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.815 0.697 . . . . 0.0 109.858 -179.865 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.85 -178.75 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.639 -178.219 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' HA ' HE22 ' A' ' 33' ' ' GLN . 59.9 t80 -75.11 136.5 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.408 -172.019 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 32' ' ' LEU . 2.7 p -55.51 124.35 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.469 -179.07 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -97.45 -48.07 5.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.539 174.583 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.5 t70 -153.8 117.7 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.463 -176.1 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -167.88 93.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 39.8 tt0 -83.47 -51.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.333 -176.864 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 22.3 Cg_exo -65.19 105.54 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.981 1.788 . . . . 0.0 113.138 -175.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 10.5 p -136.59 36.6 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 168.484 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -85.53 -55.71 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.935 -177.449 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.34 21.94 7.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.76 0.79 . . . . 0.0 108.931 172.435 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.1 m-20 -100.2 92.54 5.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.977 -167.001 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -90.96 153.17 20.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.251 170.495 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -143.59 112.87 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.107 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 63' ' ' GLN . 11.9 ttp180 -75.42 119.66 19.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.501 -173.596 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 35' ' ' MET . 46.2 tptt -101.26 127.11 48.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.942 -179.705 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 3.9 tmmt? -100.86 117.31 34.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.981 0.419 . . . . 0.0 110.343 178.643 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.13 154.15 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.402 -179.644 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' C ' ' A' ' 60' ' ' GLU . 9.6 p -112.15 133.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 173.901 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD12 ' NH1' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -132.93 103.4 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.769 -179.106 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 43.97 35.1 1.05 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.548 1.155 . . . . 0.0 112.277 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.0 -116.43 0.43 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.92 -178.027 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' C ' HG23 ' A' ' 56' ' ' VAL . 14.6 pt-20 -106.71 167.38 9.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.148 0.179 . . . . 0.0 110.59 -174.928 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 41.6 mt-10 -73.86 112.91 10.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 109.854 179.132 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' ' 13' ' ' ALA . 59.3 t -106.48 147.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.062 -174.78 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.654 ' HB3' ' HD2' ' A' ' 52' ' ' ARG . 50.1 mt-30 -111.81 117.88 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.376 0.608 . . . . 0.0 110.43 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.1 124.07 72.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.142 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.65 132.37 47.37 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.2 mm -108.13 127.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.215 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 tp -98.71 115.37 28.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.138 176.212 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 10.9 t70 -92.53 138.82 31.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 175.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.0 p -109.13 147.8 31.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.92 -172.71 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.45 161.94 29.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.024 173.181 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -134.82 70.9 0.5 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.11 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.5 pt? -152.06 162.02 41.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -82.31 29.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.185 0.517 . . . . 0.0 111.144 -175.834 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.491 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m-20 -115.53 -74.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.506 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -79.74 74.84 6.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.836 -173.034 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.05 -19.12 60.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.289 175.515 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -70.87 -6.59 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.716 -177.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' B' ' 413' ' ' HIS . 42.4 mt -95.05 -33.47 4.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -178.882 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.97 -64.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.112 0.482 . . . . 0.0 111.171 -176.16 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.13 -38.11 66.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.084 -170.233 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.559 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 2.8 m-20 -71.43 -17.64 62.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.576 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -97.58 -14.3 21.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.337 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 114' ' ' VAL . 7.9 m-30 -60.65 -32.59 71.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.338 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -57.03 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.021 -175.414 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 8.0 m -90.28 22.86 3.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.945 0.403 . . . . 0.0 111.146 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.77 137.22 14.38 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.33 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.459 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 92.4 mt-10 -88.32 -70.08 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.683 0.277 . . . . 0.0 110.626 -179.58 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.57 147.25 17.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.196 -178.771 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' HZ ' ' HD2' ' A' ' 115' ' ' LYS . 48.5 m-85 -127.78 123.88 36.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.302 . . . . 0.0 110.589 -178.16 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 20' ' ' VAL . 85.2 mt -103.45 121.9 43.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.552 178.8 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.8 mp -94.17 107.9 19.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.38 129.15 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.057 0.456 . . . . 0.0 111.811 -177.211 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -148.24 165.26 31.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.964 176.707 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -109.07 148.74 30.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.759 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.47 16.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.091 -178.59 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 132' ' ' LEU . 13.7 p -123.19 -2.86 8.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 176.93 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.25 111.59 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.578 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -78.04 -29.81 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.895 -173.219 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.53 -31.82 67.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.121 0.486 . . . . 0.0 110.429 -174.814 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 -28.24 69.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.701 175.436 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.3 -40.52 81.7 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.156 0.503 . . . . 0.0 109.652 175.624 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -63.94 -42.16 97.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.498 0.666 . . . . 0.0 109.761 174.331 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.74 80.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.398 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.63 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 10.9 p -58.54 -32.36 68.81 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.531 -178.86 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.2 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 110.461 177.805 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.64 -27.4 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.681 -178.235 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 14.3 m-85 -56.61 -42.3 78.52 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.633 179.667 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.531 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 ttt180 -55.36 -53.04 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.431 -178.834 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.25 -27.31 65.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -71.32 -36.34 71.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.09 0.472 . . . . 0.0 109.883 -179.081 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.579 ' HA ' HG22 ' A' ' 114' ' ' VAL . 64.1 mt -71.46 -33.96 51.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.201 177.057 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.7 mm? -58.91 -28.93 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.517 174.835 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -78.67 -44.89 22.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.255 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 83' ' ' PHE . 30.9 m -76.88 -34.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.555 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB2' HD11 ' A' ' 121' ' ' ILE . 51.0 mtpt -98.9 -71.65 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.659 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.63 -80.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 177.3 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.68 28.18 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.011 0.434 . . . . 0.0 111.694 -170.166 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 6.6 mm-40 -81.92 -161.44 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.114 178.147 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 120' ' ' LYS . 1.8 p-10 -61.67 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 174.197 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.691 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 44.2 mmtm -146.81 -178.41 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.255 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 115' ' ' LYS . 67.8 mt -139.81 93.23 9.61 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.519 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.74 126.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.592 2.861 . . . . 0.0 112.607 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.15 145.38 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.047 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 125' ' ' VAL . 4.2 tp -136.71 117.92 14.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.274 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 124' ' ' LEU . 9.1 t -87.34 118.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.884 -177.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.47 109.89 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.565 -175.381 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.73 113.57 3.8 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 177.18 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.469 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 6.5 p30 -109.69 176.2 5.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.884 0.342 . . . . 0.0 110.967 -176.906 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.657 ' HE2' " H1'" ' A' ' 500' ' ' GNP . 33.6 mmtp 69.17 31.31 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.858 0.724 . . . . 0.0 110.376 -178.282 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 m -58.19 -12.4 3.53 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -177.82 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.72 -14.06 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.654 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.2 mt -85.35 41.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.808 179.761 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.14 -26.1 67.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -176.183 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -101.37 -10.07 20.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.997 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.3 mtt180 -107.48 -3.53 19.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.609 -178.22 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.561 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.1 ttm180 -53.31 117.72 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.639 179.603 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 6.0 tp60 -107.52 -22.45 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.513 178.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.17 118.94 52.57 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.742 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.51 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 48.7 Cg_exo -55.42 115.72 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.783 2.322 . . . . 0.0 111.485 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -70.21 -25.21 27.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.933 -176.384 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.74 -50.5 73.01 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.314 -178.642 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.7 pt-20 -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.375 -179.723 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.81 77.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.352 176.051 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.702 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 27.7 mtm180 -64.05 -40.14 95.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.501 175.386 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 22.7 t -67.59 -20.34 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.023 179.424 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 54.4 mmtt -71.1 -41.91 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.748 175.921 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -61.61 -36.09 79.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 109.403 172.772 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 145' ' ' SER . 32.6 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.107 177.045 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 145' ' ' SER . 42.3 mt-10 -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.25 -179.304 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.3 -13.01 50.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.59 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.96 26.45 37.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.429 179.365 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.603 HG23 ' HB1' ' A' ' 147' ' ' ALA . 17.0 m -121.48 -175.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 178.916 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.422 ' HG3' HD13 ' A' ' 124' ' ' LEU . 28.6 pt20 -105.83 162.67 13.35 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.619 178.394 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.702 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 66.0 t80 -130.16 122.35 28.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.602 176.538 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.09 123.0 59.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -84.42 129.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -131.97 156.66 45.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.366 0.603 . . . . 0.0 111.675 -172.786 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.3 p -138.44 102.93 4.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.764 173.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.587 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -60.82 -18.7 57.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.69 -177.512 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -67.6 -18.71 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.294 -178.462 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.9 t -141.06 10.37 2.15 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.113 0.483 . . . . 0.0 110.617 178.752 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 61.63 25.91 15.7 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.582 178.128 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -72.25 109.52 6.05 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.679 178.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.428 ' HB2' HG22 ' A' ' 157' ' ' THR . 85.4 m-20 70.31 4.16 4.77 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.025 0.828 . . . . 0.0 112.207 176.543 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 159' ' ' ALA . 97.1 t -71.2 -47.43 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 -176.062 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.93 -36.8 82.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.471 . . . . 0.0 110.52 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.39 -50.99 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.01 -176.47 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -57.89 -26.96 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -175.525 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -74.24 -56.44 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.128 175.141 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.7 m-85 -61.41 -41.84 97.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.617 -175.205 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -51.11 70.7 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.416 179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.1 tp -65.18 -34.61 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.389 0.614 . . . . 0.0 109.955 179.755 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.2 mtp -64.08 -29.66 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.519 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 6.9 mmm180 -70.8 -39.46 73.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.834 -0.167 . . . . 0.0 110.574 -179.684 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.22 -37.0 76.42 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.693 176.428 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.6 mt -57.21 -32.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.0 0.429 . . . . 0.0 110.73 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' A' ' 181' ' ' MET . 73.7 mtt180 -67.06 -52.25 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.183 176.717 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.8 m -63.79 -36.54 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.886 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.5 mptt -63.64 -49.14 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.795 179.454 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -74.69 -18.92 60.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -176.278 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 60.0 mtt -85.92 -2.25 58.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.413 . . . . 0.0 110.07 175.202 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.7 m 62.98 -98.08 0.07 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.191 178.428 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 178.21 113.44 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 -174.681 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -136.06 36.16 2.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.579 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.454 -179.478 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 12.8 p -77.41 96.11 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 0.0 110.555 178.722 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.93 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.324 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.468 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.3 m -83.15 -28.87 29.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.158 0.504 . . . . 0.0 110.323 -179.082 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.79 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 88.2 mt-30 -58.44 -30.58 67.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.076 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.62 -52.39 65.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.725 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.582 ' HA2' ' HG2' ' B' ' 400' ' ' GLU . . . -68.38 -31.06 73.63 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.22 -179.583 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.468 HG12 ' O ' ' B' ' 394' ' ' THR . 44.9 mm -63.46 -48.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 0.0 110.086 175.745 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' B' ' 402' ' ' ILE . 97.4 mttt -64.06 -43.69 94.71 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.672 -178.389 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.582 ' HG2' ' HA2' ' B' ' 397' ' ' GLY . 12.1 pt-20 -66.95 -32.56 73.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.817 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.662 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 9.0 tp10 -69.82 -42.22 73.96 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.831 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.642 ' HA ' HD23 ' B' ' 439' ' ' LEU . 89.7 mt -53.07 -51.42 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 174.316 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 31.5 mmt180 -57.02 -42.99 81.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 178.796 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.662 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 49.8 ttt180 -59.92 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 80.3 mm-40 -73.42 -27.22 61.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.934 -177.042 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 33.8 mt-10 -59.58 -43.19 93.72 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.934 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.032 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.58 -45.52 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.042 0.448 . . . . 0.0 111.06 -178.478 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.578 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.9 tm? -63.77 -43.95 94.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.606 176.842 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 410' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 48.9 t30 -56.41 -43.74 79.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.194 178.084 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.0 t -60.11 -55.85 28.86 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 -179.148 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' B' ' 429' ' ' LEU . 3.2 mm? -55.0 -37.07 66.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.007 0.432 . . . . 0.0 111.055 176.771 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.0 m170 -66.94 -40.39 87.57 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.671 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 414' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 36.0 mtp180 -78.64 -49.29 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.598 -178.401 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -62.98 -35.15 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.932 -175.09 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.559 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -84.65 -25.92 28.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.77 -179.209 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.621 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 44.7 tt0 -59.26 -25.44 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.672 0.389 . . . . 0.0 111.708 -175.086 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.17 -11.15 70.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.506 178.839 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 120.97 -20.41 8.59 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.189 178.899 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.8 mt -80.02 117.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.684 0.278 . . . . 0.0 110.67 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.492 ' C ' ' HD2' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -136.38 162.58 32.64 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.032 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.745 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 13.6 t70 -147.02 155.39 42.2 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.533 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.07 -23.86 67.29 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.364 -174.849 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.7 m -68.42 -36.06 78.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.437 0.637 . . . . 0.0 109.446 174.837 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.745 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 23.7 mttm -74.13 -39.39 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.974 -177.455 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.72 -44.88 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.185 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 8.6 mm-40 -66.52 -39.79 88.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.598 175.659 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.62 ' O ' HG23 ' B' ' 432' ' ' VAL . 0.4 OUTLIER -60.18 -40.41 89.89 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.272 177.796 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' B' ' 412' ' ' LEU . 12.2 mt -58.71 -50.57 73.4 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.205 -179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.448 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 72.9 m95 -64.35 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.183 0.302 . . . . 0.0 110.876 177.187 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.616 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 48.1 mt-10 -65.08 -55.62 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.645 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -62.36 -36.02 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.816 0.817 . . . . 0.0 109.038 179.623 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.6 tp60 -56.62 -57.02 14.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.084 -1.417 . . . . 0.0 111.818 178.711 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.616 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 3.7 ptm180 -60.52 -28.16 68.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.899 -177.149 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -71.4 -49.2 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.336 177.67 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.457 HD11 HG23 ' B' ' 402' ' ' ILE . 26.1 tp -63.12 -41.15 99.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.1 t -65.88 -39.74 90.94 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.15 0.5 . . . . 0.0 110.032 179.616 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.15 -37.57 81.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.134 176.391 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.9 mp -61.69 -40.44 94.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.744 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -60.21 -42.7 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.12 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -45.96 90.37 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.927 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -59.17 -32.65 70.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.395 -179.765 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 443' ' ' LEU . 0.5 OUTLIER -62.81 -45.98 90.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.182 0.515 . . . . 0.0 109.925 176.602 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -80.85 -4.61 55.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.286 -179.519 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -96.84 -9.99 27.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 -178.226 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.32 179.705 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.657 " H1'" ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 181' ' ' MET . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 65.63 -176.97 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.456 0.646 . . . . 0.0 111.893 177.089 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -108.3 -54.65 2.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.22 175.272 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -84.19 123.92 30.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.247 176.389 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 180' ' ' LYS . 74.9 mt -104.06 -33.86 8.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.394 -177.556 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 55.41 13.23 0.87 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -155.29 130.26 9.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.699 0.285 . . . . 0.0 110.327 -178.01 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -138.06 136.53 36.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.816 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HE2' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -106.43 106.85 17.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.337 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.84 137.42 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.489 178.195 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.21 120.56 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.663 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 43.3 mtt -86.56 139.06 31.21 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 172.443 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 91' ' ' LEU . 23.1 m -110.09 170.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.327 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.26 150.74 5.51 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.927 178.94 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -80.05 94.93 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.362 0.601 . . . . 0.0 109.893 176.646 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.61 -83.52 0.71 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.7 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.01 -43.24 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.293 177.91 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 93' ' ' PHE . 58.2 t 70.14 -58.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 123.526 0.73 . . . . 0.0 111.208 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.23 22.93 0.06 OUTLIER Glycine 0 C--N 1.313 -0.698 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.052 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.016 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 86.7 tttt -66.43 -60.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.67 -0.765 . . . . 0.0 111.81 -174.227 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 32' ' ' LEU . 44.1 m -59.72 -22.5 62.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.809 -177.38 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.27 -49.0 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.234 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.7 mt -73.52 -32.93 64.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -175.415 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.1 p -66.12 -47.38 74.33 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.055 -178.898 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.14 -33.64 73.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.428 179.185 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' A' ' 165' ' ' VAL . 18.3 mm-40 -59.43 -45.01 92.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.545 176.15 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -72.24 -28.63 63.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.317 0.58 . . . . 0.0 110.677 179.381 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtp -78.01 -59.62 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.067 -176.255 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.37 3.12 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -173.18 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 30.9 t70 74.07 -19.32 0.36 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.278 0.631 . . . . 0.0 112.074 177.216 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.087 0.47 . . . . 0.0 111.388 -178.023 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -75.8 147.75 38.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.182 -179.202 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.36 108.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -178.303 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.08 -54.21 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.172 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -155.24 90.44 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.276 178.758 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -153.25 102.56 2.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.529 ' CD ' HNB3 ' A' ' 500' ' ' GNP . 4.4 mm-40 -105.07 -49.53 0.12 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -174.814 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.65 101.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.545 2.163 . . . . 0.0 113.808 -176.685 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.537 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -155.27 52.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.611 177.028 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -73.23 -59.55 2.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.123 -174.482 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.61 -48.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.436 0.636 . . . . 0.0 110.528 176.635 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.29 136.4 36.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.165 -175.916 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.4 m -126.81 -172.66 2.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.016 178.397 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -114.86 144.73 43.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.421 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.621 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 39.4 ttm180 -93.18 146.45 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 110.303 -178.475 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG3' HG13 ' A' ' 55' ' ' VAL . 56.0 tptt -118.92 133.59 55.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.684 -178.844 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -97.84 127.36 43.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 171.636 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.1 m -136.43 144.54 32.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 175.866 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 56' ' ' VAL . 10.2 p -111.6 105.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.776 0.798 . . . . 0.0 109.504 174.836 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 99.3 11.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 178.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 77.09 -39.62 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.57 -1.196 . . . . 0.0 113.145 175.59 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.61 -68.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.39 -170.859 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.8 pt-20 -92.62 138.65 31.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.184 0.492 . . . . 0.0 111.153 -171.586 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -68.76 110.85 4.52 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 170.11 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 60' ' ' GLU . 6.9 t -106.87 151.94 8.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.824 -174.323 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.621 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 47.6 mt-30 -110.54 116.98 32.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.325 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -106.61 111.89 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 CA-C-O 121.886 0.85 . . . . 0.0 109.144 178.152 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' HB3' ' CE ' ' A' ' 16' ' ' LYS . 16.3 t70 -90.22 125.87 35.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.064 -175.735 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' SER . 38.2 mm -106.63 145.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.35 -171.052 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD22 ' CZ2' ' B' ' 430' ' ' TRP . 52.2 tp -127.35 104.05 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 177.312 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 1.016 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 15.5 t70 -97.45 144.53 27.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.468 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -133.82 140.48 46.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -165.434 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.05 94.14 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 169.575 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.58 77.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.721 -177.714 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -142.74 172.13 13.11 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.477 0.179 . . . . 0.0 110.579 179.865 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.45 -19.63 61.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.854 -171.846 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.524 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.2 m-20 -68.36 -69.4 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.563 0.697 . . . . 0.0 111.101 -178.394 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HB3' HG13 ' A' ' 78' ' ' ILE . 55.3 m-85 -84.17 65.29 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.319 -174.567 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.72 -28.93 70.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.143 178.289 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.88 -6.3 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.525 -179.078 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.612 HG12 ' CE1' ' B' ' 413' ' ' HIS . 30.8 mt -98.95 -27.42 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.601 179.171 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -92.41 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.67 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.664 -170.398 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.26 -17.64 63.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.824 -172.347 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.431 ' OH ' HD11 ' B' ' 409' ' ' LEU . 0.0 OUTLIER -87.04 -12.42 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.293 -175.642 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -74.43 2.65 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 178.169 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 3.5 tmt_? -62.19 -63.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.101 -176.005 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.0 t -95.12 44.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.324 0.583 . . . . 0.0 110.515 -175.168 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.72 133.41 11.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.969 179.1 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.0 mt-10 -89.51 -70.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 110.045 -179.8 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.26 139.65 14.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.215 -178.214 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -123.2 137.68 54.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.6 . . . . 0.0 111.454 -176.699 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 87.9 mt -111.26 116.55 31.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.183 178.167 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 125' ' ' VAL . 38.0 mt -87.68 107.39 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.519 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.7 t -108.45 127.57 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.93 -175.383 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HA ' HG11 ' A' ' 25' ' ' VAL . 5.7 p90 -146.71 158.83 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.863 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p -100.21 141.91 32.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.676 0.274 . . . . 0.0 110.496 177.462 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.79 24.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 112.225 -175.512 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.461 HG21 HD13 ' A' ' 132' ' ' LEU . 36.5 p -121.61 -31.53 3.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.983 0.421 . . . . 0.0 110.541 174.489 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -94.12 99.36 11.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.392 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -74.54 -19.7 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.017 -175.724 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.99 -43.39 95.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.502 176.06 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -64.06 -33.99 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.338 177.31 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.57 -17.18 63.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.364 0.602 . . . . 0.0 110.835 176.645 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -89.7 -28.54 19.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.521 0.677 . . . . 0.0 109.709 175.845 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.21 -20.48 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.579 -179.047 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 2.5 p -62.08 -31.67 72.13 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 111.518 179.733 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.77 88.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.042 0.449 . . . . 0.0 109.937 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.36 -45.65 92.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.753 178.245 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.643 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 16.9 m-85 -57.51 -49.11 77.37 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.188 -179.424 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -56.31 -51.17 69.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.653 -179.166 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.79 -37.17 83.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.576 -179.364 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -65.94 -35.74 81.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.224 0.535 . . . . 0.0 110.081 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.3 mt -61.05 -40.11 84.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.964 178.597 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -77.94 -38.68 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.77 178.623 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -57.65 -41.39 81.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 111.556 -177.619 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.2 m -82.22 -8.83 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.82 -178.414 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 37.8 mtmm -138.38 -112.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.193 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.5 11.36 3.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.326 0.65 . . . . 0.0 111.412 -176.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -129.22 2.97 5.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.956 -176.297 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.35 -78.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.418 -177.295 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 27.1 t70 -156.98 -80.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.426 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 74.2 mmtt -144.44 136.27 25.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 110.437 -176.907 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.38 111.15 36.78 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.785 -177.296 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 83.6 Cg_endo -89.51 138.72 3.23 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 123.035 2.49 . . . . 0.0 112.445 176.134 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.01 133.33 49.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 111.249 -178.501 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.7 tp -128.2 123.3 33.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.511 175.348 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 HD12 ' A' ' 91' ' ' LEU . 12.3 t -92.73 129.08 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.822 -178.715 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.25 124.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.538 -176.26 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.82 112.62 4.05 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.422 178.034 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -101.02 157.8 16.49 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.435 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' HE3' ' C5 ' ' A' ' 500' ' ' GNP . 46.0 mmtm 70.37 19.06 6.56 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.064 0.546 . . . . 0.0 111.559 179.882 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -59.89 -18.85 47.9 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.518 0.675 . . . . 0.0 109.95 177.73 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.55 -22.2 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.861 175.891 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 96' ' ' THR . 92.0 mt -72.0 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.564 178.482 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 65.11 -67.37 0.13 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.61 0.764 . . . . 0.0 112.684 177.384 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.06 -34.46 78.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.036 0.446 . . . . 0.0 111.273 -177.772 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -92.3 17.09 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -177.679 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.7 113.7 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -177.6 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.55 -16.46 17.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.6 -178.218 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.73 111.34 64.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.857 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.729 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.2 Cg_exo -56.36 101.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.572 1.515 . . . . 0.0 109.636 172.364 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.8 -11.84 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.227 0.537 . . . . 0.0 110.725 -168.329 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.7 mp0 -56.48 -42.64 78.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.583 175.001 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 11.2 pt-20 -72.12 -27.59 62.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.818 0.342 . . . . 0.0 110.368 -179.703 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.79 -42.74 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.2 0.524 . . . . 0.0 110.192 176.849 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 144' ' ' ARG . 11.2 mtp180 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.29 177.257 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.2 t -64.49 -45.53 86.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 175.689 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 62.5 mmtt -61.56 -33.02 73.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.432 -177.57 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -56.57 -47.73 78.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.411 . . . . 0.0 110.494 175.605 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.48 -32.85 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.419 -179.051 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -84.73 -19.64 32.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 110.614 -179.459 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.88 30.25 18.34 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.625 -179.099 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.02 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.088 0.47 . . . . 0.0 110.674 -178.827 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.824 ' HG2' HD13 ' A' ' 124' ' ' LEU . 9.3 pm0 -118.71 149.68 41.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.661 177.129 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.2 t80 -129.11 118.94 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 178.033 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.2 130.9 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.514 -178.273 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -90.09 138.37 31.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 36.1 p -128.75 143.51 50.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.168 0.508 . . . . 0.0 111.613 -175.719 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.61 108.76 12.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.422 172.856 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.23 -7.59 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 -176.855 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.95 -44.9 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 0.0 110.232 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.7 p -95.03 -6.22 42.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.588 -178.342 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 60.66 70.45 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.194 -175.704 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -134.52 133.44 40.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.577 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.46 15.29 10.06 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.497 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 33' ' ' GLN . 59.6 t -73.09 -56.28 10.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.778 0.323 . . . . 0.0 110.69 -178.303 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.83 -35.65 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.201 0.524 . . . . 0.0 110.763 178.725 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -53.76 -51.18 64.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.087 -176.67 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.5 m -66.57 -28.24 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -174.722 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -75.37 -56.3 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.811 176.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -61.87 -35.15 77.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.55 -175.171 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.29 -51.71 68.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 110.572 -179.862 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.0 tp -65.24 -40.03 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 178.581 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 64' ' ' ILE . 64.8 mtp -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.498 -179.859 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.71 -46.72 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.314 -0.155 . . . . 0.0 111.03 178.294 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.64 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.702 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 172' ' ' LEU . 68.8 mt -57.79 -30.61 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 181' ' ' MET . 56.6 mtm180 -59.97 -51.66 68.72 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.468 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.7 m -59.0 -39.3 81.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.032 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.792 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -64.96 -51.83 59.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.3 178.663 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 12' ' ' LEU . 29.1 mtpp -70.53 -26.2 63.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.504 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.477 ' HA ' ' N ' ' A' ' 8' ' ' GLY . 64.1 mtt -78.92 -27.19 43.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.932 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 25.1 m 66.05 169.34 0.22 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.235 174.677 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.66 ' HG2' ' H ' ' A' ' 185' ' ' LYS . 35.9 tt0 -109.68 -86.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.802 177.779 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 61.06 18.09 8.63 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.673 0.749 . . . . 0.0 111.127 178.135 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.66 ' H ' ' HG2' ' A' ' 183' ' ' GLU . 30.8 mmtp . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.21 -178.344 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.487 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.7 p -128.91 -3.67 5.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.672 0.749 . . . . 0.0 109.749 177.804 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -71.02 -47.02 61.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.774 -172.978 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.551 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m -75.21 -41.54 57.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.255 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -61.73 -31.84 72.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.138 -178.858 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -54.48 -55.16 31.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.075 -179.777 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 394' ' ' THR . 50.0 mm -60.28 -50.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.421 178.27 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.96 -34.22 77.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.208 -177.469 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.1 mt-10 -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 0.0 110.231 176.495 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 47.1 mt-10 -74.11 -33.51 63.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.293 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 398' ' ' ILE . 81.9 mt -57.86 -53.81 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.563 176.765 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 403' ' ' ARG . 43.7 mtp180 -61.94 -33.29 74.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.8 179.447 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 67.7 ttt180 -58.05 -50.48 73.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.9 177.426 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.616 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -76.51 -27.54 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 35.8 mt-10 -59.95 -47.67 84.83 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 173.339 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.29 -48.84 80.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.934 176.64 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.8 mt -60.26 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -177.529 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.456 HD13 HG13 ' B' ' 432' ' ' VAL . 35.0 tp -66.49 -37.36 84.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.468 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -63.41 -45.92 88.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.465 -179.72 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -60.77 -50.08 74.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.854 -178.79 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 92.9 mt -62.39 -31.65 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.147 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.612 ' CE1' HG12 ' A' ' 78' ' ' ILE . 7.0 m-70 -70.48 -48.32 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.989 177.499 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.79 -33.67 75.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.238 -179.482 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.2 -54.68 42.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.726 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 20.5 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.383 -179.116 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -21.93 65.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.991 179.379 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.29 -9.38 73.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.539 179.239 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 108.0 -1.39 33.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.542 179.555 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.726 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 26.0 mt -92.74 146.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.745 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.488 ' C ' ' HD2' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -155.9 150.73 26.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.507 0.67 . . . . 0.0 111.397 175.148 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.439 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 17.3 t70 -149.21 149.08 30.41 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 171.461 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.516 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 2.7 pt? -61.22 -26.59 67.85 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.314 -177.099 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.0 m -65.29 -34.73 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 178.821 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 6.9 mttt -73.16 -42.4 62.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 -176.66 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 26.4 mt-10 -60.05 -48.44 81.72 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.009 -176.503 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -69.41 -41.56 76.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.253 -178.27 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.545 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.4 tpt180 -67.34 -32.08 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.316 179.431 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.1 mt -56.42 -47.35 79.24 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.038 177.928 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.531 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 49.5 m95 -70.03 -35.61 74.43 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.546 178.411 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 51.2 mt-10 -63.25 -54.61 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -60.6 -35.15 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.548 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.29 -48.1 77.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.494 175.805 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 16.1 mtp180 -63.39 -35.31 80.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.254 179.157 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 432' ' ' VAL . 28.9 mt -74.63 -45.5 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -178.079 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -56.92 -42.51 80.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.979 178.198 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 -35.5 63.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.79 0.328 . . . . 0.0 111.14 -177.668 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.36 80.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.284 0.564 . . . . 0.0 109.88 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -34.61 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.536 177.211 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.51 -35.88 80.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.94 0.4 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.14 -45.68 84.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.545 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.2 mmmt -58.5 -35.92 72.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.345 178.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.414 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -63.31 -48.31 78.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.708 0.29 . . . . 0.0 110.971 178.932 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -82.49 -1.96 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.27 0.557 . . . . 0.0 110.47 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.62 -24.88 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.925 178.893 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.563 179.954 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.529 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.6 HE22 ' HA ' ' A' ' 181' ' ' MET . 11.0 pt20 -84.84 -42.91 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 110.202 179.093 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 54.3 m -160.97 158.94 28.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -75.05 116.8 16.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.138 0.494 . . . . 0.0 110.299 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 180' ' ' LYS . 25.1 mt -106.84 29.53 6.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.09 -178.358 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -0.73 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.014 -171.114 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.68 123.2 48.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.38 178.922 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' ND1' ' HG3' ' A' ' 173' ' ' MET . 47.1 m-70 -134.1 123.4 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 -177.145 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 15.6 mmtp -105.76 115.53 30.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.48 . . . . 0.0 111.399 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.84 116.02 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.096 179.346 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.763 -178.919 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 90' ' ' LEU . 90.5 mtp -95.41 108.52 20.73 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.619 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 35.1 m -104.8 160.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.813 -173.851 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.2 161.03 22.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.411 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -86.9 109.33 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.211 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 -102.48 1.11 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.6 -176.679 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' O1B' ' A' ' 500' ' ' GNP . . . -142.97 86.05 0.19 Allowed Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.233 178.387 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.69 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.9 t -88.16 41.6 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.734 0.778 . . . . 0.0 109.957 177.299 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.19 77.66 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.051 -179.565 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -83.29 17.04 2.21 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.876 0.338 . . . . 0.0 111.835 -174.903 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -117.78 -15.64 10.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.237 171.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.52 -54.56 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -176.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 165' ' ' VAL . 80.9 mt -61.54 -32.79 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -65.29 -36.9 85.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.193 -178.05 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.2 tm? -74.32 -40.28 62.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.433 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.677 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.8 mm-40 -55.07 -50.71 68.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.161 176.47 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' HE2' HD13 ' A' ' 64' ' ' ILE . 49.9 t80 -73.21 -0.86 15.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.579 -179.604 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 50.4 ttm -105.39 -53.06 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.942 -0.474 . . . . 0.0 111.721 -177.531 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' GLU . 57.2 m-85 -116.62 8.2 13.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.337 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.9 m-20 73.24 -28.25 0.19 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.533 0.733 . . . . 0.0 112.492 176.174 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 36' ' ' TYR . 15.7 mm-40 -97.32 -178.69 4.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 -175.158 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' HA ' HE22 ' A' ' 33' ' ' GLN . 80.2 t80 -74.32 148.8 41.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.044 -174.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 32' ' ' LEU . 3.4 p -74.41 106.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.892 -176.855 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -90.03 -43.95 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.483 175.293 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -156.43 158.63 37.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.423 177.661 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 11.1 t80 -155.61 91.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.7 mt-10 -61.28 -56.46 33.88 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.59 -174.554 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 41.6 Cg_endo -68.14 103.22 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.629 1.553 . . . . 0.0 110.988 178.122 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -157.41 -22.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -171.807 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.95 -59.24 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.649 -178.032 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.89 -17.4 5.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.5 173.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 1.5 m-20 -81.62 143.99 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.334 -178.515 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 67.5 m -137.24 155.45 49.48 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.095 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.512 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 34.9 t80 -127.6 117.5 22.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 110.528 -174.268 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.67 161.71 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.391 -179.304 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 166.61 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.621 179.842 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -93.25 115.95 28.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 -178.634 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' HB ' ' A' ' 62' ' ' VAL . 30.7 m -118.3 147.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.11 178.397 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLU . 74.8 t -133.44 113.76 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.023 0.439 . . . . 0.0 111.428 179.496 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.3 mt -88.61 99.46 12.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 163.871 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -5.39 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.396 1.685 . . . . 0.0 113.734 -167.569 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.66 -79.52 0.2 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.478 -0.868 . . . . 0.0 113.204 -179.839 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.68 138.92 33.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.659 0.266 . . . . 0.0 111.237 -172.403 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' HG22 ' A' ' 56' ' ' VAL . 43.0 mt-10 -77.98 105.99 9.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.216 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.403 ' HB ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -106.01 142.09 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -169.839 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -112.43 115.86 29.38 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.519 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 34' ' ' PHE . 12.4 tt -104.0 110.85 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-O 121.852 0.834 . . . . 0.0 109.329 179.658 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.614 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 21.1 t0 -95.59 109.54 21.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.947 -174.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.539 HG21 HG23 ' A' ' 31' ' ' THR . 48.6 mm -109.12 121.97 63.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.31 -175.638 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.0 tp -97.87 121.86 40.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.375 -178.32 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -105.7 150.52 25.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 170.167 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 p -141.65 160.59 39.86 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -166.16 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.49 120.01 22.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.188 170.103 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.48 70.47 2.8 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.328 -176.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -155.63 168.8 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.688 0.28 . . . . 0.0 110.737 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.14 -18.73 31.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.754 -174.928 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -55.48 -67.03 0.32 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.725 0.774 . . . . 0.0 110.596 178.459 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' ILE . 84.3 m-85 -83.8 61.44 6.36 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.831 -178.644 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.63 -23.95 60.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.605 175.277 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.6 -6.16 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.62 178.491 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 75' ' ' TYR . 44.3 mt -101.14 -21.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.006 0.432 . . . . 0.0 110.025 176.372 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.93 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.794 179.483 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 8.0 t70 -62.4 -51.38 67.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.297 0.57 . . . . 0.0 111.345 -175.322 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.568 ' HB3' HD12 ' B' ' 429' ' ' LEU . 87.0 m-20 -68.58 -19.84 64.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.559 -170.923 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.33 -38.23 11.6 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.196 177.219 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.9 m-85 -54.8 -31.59 59.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.882 0.372 . . . . 0.0 111.572 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 29.5 mmt180 -52.57 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.975 -175.892 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.494 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.8 m -86.29 29.33 0.76 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.908 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.4 151.29 19.96 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.483 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.1 mt-10 -103.13 -74.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.411 177.802 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.69 148.02 18.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.226 -177.86 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -125.25 127.31 46.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.083 0.468 . . . . 0.0 111.411 -178.064 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 124' ' ' LEU . 73.8 mt -98.12 110.15 22.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.054 175.682 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 104' ' ' THR . 11.1 mp -92.19 106.99 18.89 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -108.02 134.95 48.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.982 0.42 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HA ' HG11 ' A' ' 25' ' ' VAL . 29.9 p90 -142.54 147.65 36.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.92 178.062 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.5 t -83.96 138.13 33.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.701 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -68.89 -3.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.702 0.287 . . . . 0.0 111.749 -179.721 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.527 ' CG2' HD22 ' A' ' 132' ' ' LEU . 12.1 p -87.56 -17.6 31.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.28 171.076 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.744 -173.882 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.22 -25.82 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.343 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.96 -46.1 69.01 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.04 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.5 m -65.3 -31.15 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.275 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -62.59 -43.78 97.96 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 173.747 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -68.84 -27.75 66.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.7 62.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.899 -178.648 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.421 ' CB ' HD23 ' A' ' 91' ' ' LEU . 49.5 p -58.82 -33.97 70.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.781 177.366 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.94 84.12 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 177.305 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.77 -47.98 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.441 178.753 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.538 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.7 m-85 -58.27 -46.26 86.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.35 177.26 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.65 -51.03 68.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -178.516 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.14 -37.48 87.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.349 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.8 0.333 . . . . 0.0 110.212 178.707 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 107' ' ' PHE . 99.2 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.647 178.39 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 10.6 mp -66.71 -37.41 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 178.576 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -61.35 -37.98 85.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.746 0.308 . . . . 0.0 111.313 -178.04 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.734 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.0 m -95.48 -3.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.712 -175.807 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.734 ' HG3' HG23 ' A' ' 114' ' ' VAL . 26.4 mtpp -133.99 -90.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.33 -0.231 . . . . 0.0 110.691 -177.748 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 65.76 -61.05 0.27 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.508 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.51 36.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.813 0.445 . . . . 0.0 111.262 -173.544 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.611 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 4.5 mm-40 -99.69 -172.12 2.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.609 -173.73 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.59 -71.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.9 175.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -144.95 133.41 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.8 mt -111.73 101.5 51.36 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.36 179.898 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 0.9 OUTLIER -84.51 123.55 2.97 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.276 2.651 . . . . 0.0 112.533 179.141 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.76 159.14 19.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.617 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 153' ' ' GLN . 8.0 tp -150.62 121.33 7.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.613 174.37 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.442 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.3 t -97.47 117.82 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.537 -179.665 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.607 ' HB ' HG12 ' A' ' 92' ' ' VAL . 22.8 t -109.78 132.33 58.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.874 -173.511 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.7 94.54 2.0 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.145 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -82.45 164.84 20.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.79 0.329 . . . . 0.0 111.347 -175.598 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HA ' ' C6 ' ' A' ' 500' ' ' GNP . 5.8 mmmm 70.41 28.12 3.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.594 170.555 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -72.02 84.18 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.596 0.712 . . . . 0.0 109.505 178.064 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 160' ' ' LYS . 13.5 t70 -154.87 -39.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.756 -176.951 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -60.68 -29.64 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.839 176.472 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 49.21 -68.83 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.448 1.499 . . . . 0.0 114.761 -177.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 132' ' ' LEU . 11.3 pt-20 -75.98 -22.63 55.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 118.086 0.403 . . . . 0.0 111.129 -170.829 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 99.7 mtt180 -83.78 12.18 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.248 -178.344 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.647 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 41.8 ttm105 -64.41 112.48 3.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.267 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -101.96 -11.55 18.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 -175.31 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.3 p -114.73 113.5 44.79 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.961 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.61 129.45 33.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.377 2.051 . . . . 0.0 111.397 177.297 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.8 t -60.26 -19.44 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.005 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.55 -56.3 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.051 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.3 -28.29 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -178.143 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.2 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 176.915 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 79.1 mtp180 -69.38 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.115 179.163 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -56.08 -56.77 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 174.818 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -59.4 -39.02 82.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.732 -178.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.08 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 175.537 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.95 -37.35 84.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.771 179.338 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.02 -37.65 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 179.35 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -88.5 -7.06 57.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 -178.059 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.52 52.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.184 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.52 177.56 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.702 0.287 . . . . 0.0 111.147 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.644 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.5 pt20 -98.81 161.4 13.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.826 178.198 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.442 ' CE2' HG13 ' A' ' 140' ' ' VAL . 91.6 t80 -131.92 121.59 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 175.149 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.26 134.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.272 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.17 135.0 33.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 174.898 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 40.2 p -118.82 145.3 45.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.22 0.533 . . . . 0.0 110.873 -177.882 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.2 p -126.83 113.39 16.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.159 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.76 1.17 31.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.518 0.675 . . . . 0.0 109.728 176.386 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 131' ' ' ASP . 21.5 tptm -80.11 -68.74 0.65 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.206 178.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.0 p -93.7 0.23 56.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.301 -179.281 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 60.48 75.21 0.42 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.333 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.77 129.56 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.445 177.455 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 69.43 4.31 4.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.877 0.735 . . . . 0.0 111.794 177.869 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.442 HG13 HD22 ' A' ' 30' ' ' LEU . 95.8 t -65.18 -49.7 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -177.223 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.03 -23.42 58.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -177.295 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.85 -54.52 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.601 -176.927 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.33 -28.2 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.281 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -74.71 -48.03 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 177.164 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.61 -45.13 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.408 -178.576 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.8 70.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.749 -177.823 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.04 -36.16 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 -177.106 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.436 ' HG3' ' ND1' ' A' ' 15' ' ' HIS . 10.7 ttp -70.08 -31.3 68.82 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -178.836 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.728 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 6.6 mmt180 -63.95 -41.6 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.908 176.574 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -59.75 -32.35 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.132 177.249 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.3 mt -58.06 -36.49 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -178.602 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.728 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 20.6 ptt180 -68.11 -32.34 72.58 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 -179.036 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.0 m -70.55 -36.09 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -66.33 -39.17 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.194 175.192 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 66.2 mmtt -62.69 -54.64 36.3 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 110.768 177.334 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.6 ' HA ' HE22 ' A' ' 9' ' ' GLN . 65.0 mtt -69.59 -26.05 64.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.958 -174.352 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.7 m 68.3 174.24 0.28 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.683 0.615 . . . . 0.0 110.557 -175.147 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.24 79.05 3.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.321 0.581 . . . . 0.0 111.318 -173.239 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.52 25.32 0.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 173.006 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.546 ' HG3' ' HB3' ' A' ' 181' ' ' MET . 73.9 mmtt . . . . . 0 C--O 1.246 0.912 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.869 -174.545 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.5 p -92.35 14.75 15.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.701 0.25 . . . . 0.0 111.619 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' B' ' 394' ' ' THR . 35.1 tt0 -61.29 123.39 17.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.917 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.598 ' O ' HG12 ' B' ' 398' ' ' ILE . 51.3 m 75.78 -45.57 0.54 Allowed 'General case' 0 C--N 1.334 -0.098 0 O-C-N 123.491 0.494 . . . . 0.0 110.542 -177.466 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 34.4 tt0 -55.01 -41.21 71.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.124 0.487 . . . . 0.0 110.221 178.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.14 87.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.314 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.44 94.78 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.019 178.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 394' ' ' THR . 37.9 mm -58.27 -55.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.128 175.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' B' ' 402' ' ' ILE . 52.4 mtpt -60.92 -42.09 97.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.91 -174.44 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.8 mm-40 -64.22 -39.21 93.49 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.295 -178.709 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' B' ' 439' ' ' LEU . 3.1 mm-40 -71.5 -36.9 71.26 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.523 175.703 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.708 HG12 ' HB3' ' B' ' 439' ' ' LEU . 97.1 mt -53.94 -54.21 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 172.739 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' B' ' 400' ' ' GLU . 44.5 mtm180 -62.77 -30.05 71.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -178.882 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.508 ' HD2' ' OE1' ' B' ' 401' ' ' GLU . 22.6 ttm180 -71.41 -44.73 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 178.393 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 83.6 mm-40 -71.41 -34.11 70.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.27 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG2' HD21 ' B' ' 436' ' ' LEU . 98.2 mt-10 -62.7 -40.17 96.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.211 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.16 -44.4 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.701 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.9 mt -60.63 -45.46 93.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.296 177.63 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 15.0 tp -65.2 -45.63 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 0.0 109.708 179.194 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -56.34 -52.43 64.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.217 178.007 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -40.05 96.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.906 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' B' ' 429' ' ' LEU . 0.5 OUTLIER -52.62 -50.72 62.53 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.196 0.522 . . . . 0.0 110.397 170.766 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 75.1 m-70 -67.83 -32.99 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.185 -177.415 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -75.71 -44.7 40.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -179.309 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.34 -46.44 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.483 0.658 . . . . 0.0 110.945 -177.139 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' B' ' 425' ' ' LYS . 69.7 mt -73.66 -25.77 60.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.914 -176.097 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 22.6 tt0 -54.11 -25.21 20.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.121 0.569 . . . . 0.0 112.233 -173.857 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.39 -5.17 85.44 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.252 -178.946 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.74 27.85 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.73 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 60.1 mt -99.58 131.48 46.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.557 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -134.0 145.34 49.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.774 0.797 . . . . 0.0 112.41 -177.244 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.6 t70 -149.8 170.57 18.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.161 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.79 -29.9 66.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.482 0.658 . . . . 0.0 109.236 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 7.4 m -66.02 -39.48 90.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.53 -177.84 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.97 -38.98 89.95 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.066 -172.544 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.9 pt-20 -73.31 -40.48 64.47 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.782 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -63.24 -42.18 99.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 176.682 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.56 -42.37 82.72 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.324 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' B' ' 412' ' ' LEU . 7.5 mt -56.03 -51.82 66.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -178.24 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 77.9 m95 -65.48 -31.46 72.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 178.264 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.923 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 42.3 tt0 -65.85 -49.34 68.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 178.439 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 37.7 t -57.39 -41.55 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.485 0.659 . . . . 0.0 109.414 177.093 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.628 HE21 ' HB ' ' B' ' 437' ' ' THR . 19.6 tp60 -56.77 -43.0 80.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.697 178.076 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.923 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 55.3 mtp180 -55.5 -51.73 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.408 0.623 . . . . 0.0 110.375 179.294 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 432' ' ' VAL . 5.7 mt -64.65 -50.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.544 -177.323 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 23.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.559 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.628 ' HB ' HE21 ' B' ' 433' ' ' GLN . 5.6 t -66.39 -37.59 85.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -175.563 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.43 -35.97 76.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.36 0.6 . . . . 0.0 109.913 176.467 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.708 ' HB3' HG12 ' B' ' 402' ' ' ILE . 4.6 mp -65.94 -37.67 86.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.519 177.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 68.2 mmtt -59.05 -43.56 91.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.653 0.74 . . . . 0.0 109.336 175.349 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.43 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 1.2 tmt_? -62.85 -47.88 81.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.179 177.751 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.8 mmmt -65.57 -25.0 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.299 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.632 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.3 tp -62.3 -44.34 96.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.025 0.44 . . . . 0.0 110.178 172.723 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -81.99 -5.65 58.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 110.454 178.761 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' B' ' 442' ' ' LYS . 1.8 tp10 -80.73 -35.66 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.971 177.383 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.439 ' HB3' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.654 -177.351 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.524 ' C6 ' ' HA ' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' H ' ' HG2' ' A' ' 9' ' ' GLN . 11.5 pt20 -76.53 -59.43 2.77 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.617 0.208 . . . . 0.0 111.058 179.383 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -177.51 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.119 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 m -109.95 4.31 21.34 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.087 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt 72.17 -54.29 0.68 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.679 -178.688 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . 63.15 17.04 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.461 0.705 . . . . 0.0 112.801 175.05 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' HE3' ' A' ' 16' ' ' LYS . 30.2 tp -122.61 127.66 49.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.108 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 93.0 m-70 -137.46 138.72 40.05 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.954 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -130.36 127.03 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.467 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -136.47 140.48 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -120.2 137.69 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.2 mmm -88.65 124.72 34.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.808 179.211 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD23 ' A' ' 91' ' ' LEU . 28.8 m -105.26 143.83 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 111.104 -179.081 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.17 161.38 11.11 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.114 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.435 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 12.4 t -81.44 70.47 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.501 0.651 . . . . 0.0 110.323 -175.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 -67.4 3.51 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.708 177.009 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.568 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -79.3 -105.1 0.23 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 121.392 -0.433 . . . . 0.0 112.836 -178.064 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 21.8 t 56.99 16.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 -176.722 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.68 32.65 25.26 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.531 -178.538 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 27.7 mtmm -68.13 -43.29 78.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -175.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.734 -174.608 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.94 83.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.987 -178.532 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.19 -41.97 63.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 -177.967 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.6 p -71.12 -31.34 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.039 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.2 -42.47 88.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.373 178.014 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 94.1 mt-30 -71.02 -26.52 63.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 0.0 110.968 178.179 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -72.76 -30.63 64.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 177.475 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.452 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.1 mtm -98.81 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.454 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -83.72 -26.22 29.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.001 -177.165 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.9 t0 68.3 21.21 8.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.511 -179.164 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.233 176.123 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -76.37 140.07 41.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.229 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.77 111.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.713 0.768 . . . . 0.0 112.298 -172.901 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -106.11 -39.64 5.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.528 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -149.38 96.22 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.057 176.144 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -167.89 91.29 0.33 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.772 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 6.6 mm-40 -103.96 -39.37 0.19 Allowed Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.559 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.772 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 3.9 Cg_endo -46.97 101.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.665 2.243 . . . . 0.0 113.194 179.112 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.05 39.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.104 176.549 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.31 -54.29 4.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.723 0.773 . . . . 0.0 108.979 -177.415 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.46 7.78 8.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.591 172.219 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.5 m-20 -79.39 121.37 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.157 -171.333 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.63 ' HB3' ' OE1' ' B' ' 433' ' ' GLN . 12.2 t -133.64 150.33 51.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.382 178.445 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -137.52 137.88 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.692 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -88.58 118.18 28.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.644 -178.122 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 60.8 tptt -103.14 128.19 50.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.607 -179.578 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -107.12 130.44 54.69 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.323 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -132.29 145.95 33.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.785 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.5 p -100.97 104.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.788 0.804 . . . . 0.0 109.482 178.148 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 tp -96.74 108.43 21.08 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.017 -175.113 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 73.63 -29.56 0.2 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.183 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.22 -42.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.805 -1.188 . . . . 0.0 113.784 -178.338 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.02 149.02 24.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.457 0.629 . . . . 0.0 111.081 -178.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.0 mt-10 -81.78 122.09 27.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.555 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -107.09 149.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.923 -177.187 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.83 117.77 32.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 110.922 -178.211 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.549 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.5 tt -114.68 139.46 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 -178.394 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.954 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 51.9 t0 -108.47 116.88 32.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.484 -176.02 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.9 mm -109.07 126.93 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.28 -171.758 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' B' ' 430' ' ' TRP . 3.0 mt -131.04 126.29 35.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.249 0.547 . . . . 0.0 111.312 173.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 t0 -100.58 145.46 28.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.549 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 p -124.41 151.6 44.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.302 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.53 111.2 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.379 171.453 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -83.43 63.66 4.43 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.731 -176.056 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -129.75 168.03 17.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.682 0.277 . . . . 0.0 110.977 -179.653 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.2 -12.41 54.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.4 m-20 -64.9 -78.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.345 -177.632 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.534 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.0 m-85 -85.09 81.33 8.91 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.051 -175.91 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.7 -18.58 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 175.626 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.836 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -70.25 -7.03 39.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.813 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.7 mt -99.51 -40.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.763 177.844 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 36.0 ptt180 -85.19 -64.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.825 -176.463 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 4.1 t70 -60.62 -43.74 97.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.818 0.818 . . . . 0.0 111.102 -177.027 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.836 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 44.7 m-80 -75.68 -27.2 58.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.41 -168.723 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.39 -34.86 15.49 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.912 175.954 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.662 ' HB3' HG21 ' A' ' 114' ' ' VAL . 5.7 m-30 -60.08 -22.84 63.25 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.48 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.731 HH21 ' HA ' ' A' ' 115' ' ' LYS . 3.7 mmp_? -56.78 -73.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.479 178.394 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.8 m -81.54 14.31 2.61 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.895 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' O ' ' HE2' ' A' ' 115' ' ' LYS . . . -99.66 104.07 2.79 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.637 178.53 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.47 -60.8 2.17 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.855 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.14 144.18 16.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.597 -0.811 . . . . 0.0 113.137 -174.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.99 136.92 49.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 111.067 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 20' ' ' VAL . 86.6 mt -106.25 112.75 25.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.161 175.874 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.571 HD23 HG21 ' A' ' 20' ' ' VAL . 58.3 mt -83.96 106.77 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.249 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.4 t -111.4 142.98 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.704 -174.865 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -155.65 144.51 20.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.526 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.533 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 29.6 t -83.57 138.9 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.778 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.684 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -70.35 -7.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.827 0.346 . . . . 0.0 111.622 -178.462 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 132' ' ' LEU . 16.8 p -84.83 -19.05 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.249 0.547 . . . . 0.0 109.914 173.737 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 45.4 mt-10 -103.33 100.36 10.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.326 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.12 -25.1 65.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.986 176.701 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.16 -49.2 46.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.103 -179.758 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -58.09 -36.92 73.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.723 0.297 . . . . 0.0 110.577 176.595 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.53 -40.23 93.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 176.658 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.2 m -76.0 -33.29 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.321 0.581 . . . . 0.0 110.495 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.83 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.211 -178.119 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.8 p -56.81 -37.84 71.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.0 110.494 178.661 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.1 98.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.335 177.33 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.44 -45.73 91.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.939 178.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.1 m-85 -58.69 -49.75 76.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.58 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 108' ' ' ARG . 34.8 ttt180 -53.78 -54.28 40.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.964 -178.347 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.53 -28.62 67.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.085 -176.98 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.1 -35.47 74.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.452 . . . . 0.0 110.027 178.564 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.2 mt -62.44 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.416 175.598 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.54 -26.11 68.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 177.734 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.58 -49.09 28.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 177.409 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 83' ' ' PHE . 27.0 m -74.88 -23.94 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.806 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.768 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 38.4 mttm -106.55 -85.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.65 -73.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.682 0.793 . . . . 0.0 113.07 -178.851 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.39 59.1 5.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.503 . . . . 0.0 111.334 -174.59 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.768 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 14.5 mm-40 -114.9 -170.37 1.73 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -77.57 -71.93 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 172.466 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 31.8 mmmt -143.28 153.44 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.5 mt -122.35 105.94 36.04 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.378 -0.374 . . . . 0.0 109.992 177.594 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HB2' HD11 ' A' ' 172' ' ' LEU . 55.8 Cg_endo -90.72 132.93 1.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.268 2.646 . . . . 0.0 112.667 179.526 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.539 HD23 HD11 ' A' ' 91' ' ' LEU . 5.6 mp -129.0 142.41 50.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 111.09 -178.598 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.93 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.4 tp -136.17 125.07 24.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.24 174.453 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 124' ' ' LEU . 15.3 t -92.58 125.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.959 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.7 t -118.14 116.4 51.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.947 -176.178 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.48 102.23 2.89 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 173.15 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 157' ' ' THR . 32.9 p-10 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.464 0.649 . . . . 0.0 112.353 -168.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 131' ' ' ASP . 54.6 mttt 70.28 57.36 0.27 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.299 177.122 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -78.74 15.79 0.99 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.271 0.558 . . . . 0.0 110.096 176.4 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 129' ' ' LYS . 18.7 t70 -75.5 -25.08 56.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.563 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -73.06 -57.8 3.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.414 177.476 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 65.26 -67.02 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.765 0.826 . . . . 0.0 112.279 -179.465 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.885 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.0 pt-20 -57.74 -29.38 64.72 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.083 0.468 . . . . 0.0 111.957 -176.617 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.885 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 74.8 mtt180 -100.28 17.77 20.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.655 -171.823 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.68 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 35.4 ttm180 -63.93 111.97 2.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.274 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -86.13 -33.58 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.057 -172.898 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.87 122.42 42.54 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.468 179.424 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.17 113.27 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.409 2.073 . . . . 0.0 111.314 176.776 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -72.27 -12.02 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.085 0.469 . . . . 0.0 110.795 -171.889 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.46 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.544 177.63 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.37 -20.59 54.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.69 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.41 80.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 109.939 175.394 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 69.2 mtp180 -68.03 -32.56 73.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.804 176.152 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.8 t -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.453 177.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.85 -40.27 94.75 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 175.599 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.63 -37.93 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 176.517 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.4 -42.26 96.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.051 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.25 -40.43 90.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.968 179.596 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -85.76 -5.67 59.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 0.0 111.407 -175.461 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.95 35.94 80.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.185 -179.21 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 -174.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.751 0.31 . . . . 0.0 110.244 -178.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.93 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.3 pm0 -113.39 154.26 27.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 176.758 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -123.95 125.69 45.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.979 178.542 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.3 t -132.32 129.33 59.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -178.94 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.79 125.94 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.917 0.389 . . . . 0.0 110.562 175.392 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.602 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 93.1 m -125.47 137.47 53.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.578 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.06 110.95 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 -178.314 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.71 -14.43 59.95 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.417 -178.521 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -78.49 -4.55 49.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.741 -176.555 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 7.1 0.79 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.868 -177.719 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 62.94 33.8 14.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.267 175.993 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.91 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.527 -176.981 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 67.24 18.17 10.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.745 175.187 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 -47.34 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.083 0.468 . . . . 0.0 110.647 -177.688 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -76.29 -27.4 56.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.976 -178.218 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.27 -50.08 70.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.795 -177.428 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.0 -32.72 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.32 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -73.35 -55.95 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.375 -179.517 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 52.9 m-85 -61.91 -31.75 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 -176.643 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -51.92 62.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -178.894 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.6 tp -67.93 -31.25 70.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.316 0.579 . . . . 0.0 110.253 -179.783 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.549 ' SD ' HD12 ' A' ' 64' ' ' ILE . 67.4 mtp -62.17 -32.04 72.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.487 179.186 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 24.6 mmt180 -61.33 -49.82 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.814 179.701 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.776 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 8.6 mm-40 -57.24 -35.88 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.426 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 65.0 mt -55.33 -27.42 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.902 0.382 . . . . 0.0 111.579 -175.074 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -70.23 -51.89 27.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 0.0 110.274 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.5 m -65.45 -30.74 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.504 -174.306 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.776 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 59.1 mmtt -64.55 -39.8 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -74.14 -33.01 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.36 -179.69 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtt -81.14 -5.61 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 12.4 t 65.81 -170.84 0.19 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.714 178.381 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -93.5 -2.49 54.33 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.719 0.771 . . . . 0.0 109.093 177.284 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -98.39 20.56 12.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.542 -176.781 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 182' ' ' SER . 2.7 ptmm? . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.453 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 30.5 t -85.94 117.05 24.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.739 0.304 . . . . 0.0 110.607 -179.909 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -101.63 -76.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.433 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.495 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 17.0 m -101.99 -6.73 23.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.561 0.696 . . . . 0.0 109.763 178.608 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -61.84 -26.77 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.38 21.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.55 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.36 -32.42 83.56 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.881 179.017 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 394' ' ' THR . 45.0 mm -64.11 -46.22 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.52 -38.89 92.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.5 0.191 . . . . 0.0 111.233 -179.367 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.37 -45.5 93.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 109.755 175.315 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.92 -44.5 80.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.287 -178.896 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.601 ' HA ' HD23 ' B' ' 439' ' ' LEU . 65.1 mt -54.13 -53.68 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.988 177.016 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -59.93 -33.56 72.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 0.0 111.019 -179.312 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -63.21 -47.41 82.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.77 176.311 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.504 ' OE1' HG23 ' B' ' 432' ' ' VAL . 86.7 mm-40 -76.75 -31.58 57.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.662 -177.145 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.4 mt-10 -65.57 -36.29 83.34 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.044 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -67.98 -39.21 83.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.482 176.648 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 64.6 mt -60.49 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 175.031 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.0 tp -61.79 -43.64 98.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.554 0.692 . . . . 0.0 109.313 178.224 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.62 -44.17 80.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.789 176.336 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 13.3 t -62.36 -53.17 58.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.917 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -53.26 -41.97 66.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 110.776 176.043 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.648 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.0 m-70 -65.88 -32.25 73.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.668 178.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -79.46 -51.88 8.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.724 0.297 . . . . 0.0 111.662 177.496 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.9 -55.0 29.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.999 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' B' ' 425' ' ' LYS . 3.1 mp -65.52 -25.55 67.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.427 -175.677 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.648 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 46.4 tt0 -61.96 -18.29 59.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.195 -177.947 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.88 -6.78 73.89 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.653 179.566 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.73 14.51 40.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.17 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.16 124.72 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.751 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.4 pttp -126.79 144.3 51.0 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.346 1.07 . . . . 0.0 113.019 -178.232 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 13.0 t70 -150.46 170.35 19.29 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.045 178.517 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 3.7 mm? -73.74 -35.04 64.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 171.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 70.4 m -65.37 -32.06 73.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.545 -178.73 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.0 OUTLIER -71.6 -35.98 70.68 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.271 -172.733 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.62 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 13.1 pt-20 -72.31 -42.8 65.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.145 178.21 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.21 -49.48 77.45 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 179.016 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.413 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.9 tpt180 -62.23 -39.81 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.772 -177.014 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -60.88 -55.81 28.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.104 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 74.6 m95 -63.11 -37.03 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.63 179.303 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.89 -55.57 32.56 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -176.859 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' B' ' 408' ' ' LEU . 7.6 p -63.15 -33.41 60.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.63 ' OE1' ' HB3' ' A' ' 50' ' ' SER . 5.6 tp-100 -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.944 178.106 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.648 ' HA ' HG22 ' B' ' 437' ' ' THR . 1.9 mpt_? -65.21 -34.92 79.5 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.355 -176.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 432' ' ' VAL . 54.6 mt -61.13 -43.28 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 175.157 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' B' ' 406' ' ' GLU . 46.9 tp -65.23 -46.11 81.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.004 178.428 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.648 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.3 t -65.85 -35.91 81.98 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.946 0.403 . . . . 0.0 110.404 -176.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.55 -36.13 78.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.956 0.408 . . . . 0.0 109.958 173.905 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.1 mp -65.89 -34.73 78.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.619 178.736 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -65.81 -36.39 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.317 0.58 . . . . 0.0 109.762 175.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.32 -41.08 85.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.049 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.5 mmmt -58.05 -36.72 73.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.998 175.087 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' B' ' 402' ' ' ILE . 56.0 tp -60.91 -40.32 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.853 177.583 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -79.16 -12.29 59.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 179.191 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.58 -20.9 17.38 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -178.675 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.876 -173.084 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.658 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 12' ' ' LEU . 30.9 tt0 -127.87 22.46 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.533 . . . . 0.0 109.891 -176.769 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.367 -175.605 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 t -113.76 42.23 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 0.0 110.579 -174.401 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 9' ' ' GLN . 68.8 mt -125.41 25.69 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.589 -179.365 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.89 3.74 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.325 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -139.94 106.97 5.43 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.048 179.029 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.64 151.69 29.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.139 -173.087 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 2.2 mmtp -118.38 122.69 43.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.765 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' ILE . 69.4 t -116.19 118.86 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.398 . . . . 0.0 110.861 179.718 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.58 126.65 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.322 179.16 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.805 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 62.6 mtt -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 176.032 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 91' ' ' LEU . 33.6 m -110.98 177.14 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.211 175.3 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.81 160.36 9.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.118 -0.563 . . . . 0.0 111.981 178.815 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -83.54 45.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.938 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.91 -56.03 0.75 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.11 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.72 111.88 0.33 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.0 t -88.95 -68.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.937 0.399 . . . . 0.0 110.312 176.916 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.87 34.88 1.98 Allowed Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.208 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.805 ' HE3' ' HB2' ' A' ' 19' ' ' MET . 26.2 mttp -58.71 -74.81 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 111.102 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 16.9 p -69.11 -11.92 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.184 -175.701 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.95 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.458 . . . . 0.0 110.357 175.072 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.76 -38.98 67.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 69.8 p -67.0 -40.35 87.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.505 -176.886 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.12 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.082 178.367 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -65.03 -40.95 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 110.292 174.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 53' ' ' LYS . 64.6 t80 -72.72 -22.9 60.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.531 -177.836 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 67.5 mtm -104.93 -53.75 2.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.628 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -102.37 -11.72 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.486 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 67.01 32.09 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.787 0.803 . . . . 0.0 110.236 -178.098 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -135.0 142.24 46.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.101 -178.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -78.52 144.12 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.484 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.35 116.39 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.804 0.812 . . . . 0.0 112.569 -176.002 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -117.78 -44.12 2.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.675 171.748 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -127.1 107.62 10.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.749 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -169.71 91.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.739 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.543 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.7 mm-40 -74.57 -51.16 4.25 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.561 -177.776 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 9.3 Cg_endo -52.77 106.68 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 111.712 177.294 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -158.21 1.5 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.097 -176.187 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.52 -54.55 4.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -125.48 -40.85 2.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.125 176.91 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' OD2' ' HE3' ' B' ' 440' ' ' LYS . 16.1 t70 -59.07 122.11 12.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -174.876 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -134.15 -175.47 3.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.101 -176.614 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 8.4 t80 -143.21 146.85 34.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -176.124 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -92.62 140.72 29.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.552 178.072 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HG2' ' CE2' ' A' ' 34' ' ' PHE . 48.9 tptt -116.69 136.78 52.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -177.248 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 19.5 mttp -97.78 131.06 44.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.124 0.488 . . . . 0.0 110.554 170.864 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.23 145.47 30.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.88 176.676 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 61' ' ' GLU . 2.1 p -138.62 108.64 4.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 121.321 0.582 . . . . 0.0 110.643 177.131 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -93.28 96.94 10.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.912 179.193 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 39.69 67.75 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.368 1.043 . . . . 0.0 111.871 -178.637 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.22 -122.71 0.94 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.968 -179.859 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -113.25 162.93 15.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.162 0.481 . . . . 0.0 110.112 -177.603 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 46.7 mt-10 -59.74 119.35 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.316 0.579 . . . . 0.0 111.955 -176.303 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 t -107.63 148.61 11.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.067 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -117.15 140.05 50.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.38 0.609 . . . . 0.0 112.057 -176.7 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 17' ' ' VAL . 4.8 tt -134.73 125.87 46.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.188 -179.41 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -94.02 128.43 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.473 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -108.15 129.75 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.364 -177.727 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.65 124.68 51.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.029 0.443 . . . . 0.0 111.814 -177.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.3 t0 -94.71 158.54 15.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 171.815 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.0 p -142.67 141.86 31.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.771 0.32 . . . . 0.0 111.819 -171.615 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' A' ' 78' ' ' ILE . . . -78.58 96.47 5.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 165.741 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.21 71.07 1.79 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.056 -175.422 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -149.94 173.39 13.86 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.54 -20.05 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.581 -173.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.2 m-20 -60.11 -67.24 0.41 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.204 0.526 . . . . 0.0 110.942 179.355 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -80.41 63.88 5.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.313 -178.469 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.84 63.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HA ' ' OD1' ' A' ' 81' ' ' ASN . . . -58.1 -23.77 56.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.997 176.556 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.667 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 33.9 mt -93.24 -21.84 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.623 -179.053 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -83.51 -63.48 1.35 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.725 179.049 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.52 ' HA ' HG11 ' A' ' 114' ' ' VAL . 20.9 m-20 -68.06 -57.96 5.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.201 0.524 . . . . 0.0 111.808 -172.434 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.594 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 10.1 m120 -71.17 -40.08 71.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.243 -168.544 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.667 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 11.5 m-85 -72.25 -25.91 61.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.554 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' A' ' 114' ' ' VAL . 5.8 m-30 -75.15 -5.73 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 111.436 -177.665 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -70.06 -63.44 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 14.02 4.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -171.663 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.41 135.44 12.19 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.645 177.579 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 2.1 mt-10 -80.39 -69.42 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.853 0.327 . . . . 0.0 111.259 -177.803 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.62 152.22 19.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.064 -174.115 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.2 m-85 -128.2 135.96 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 -178.152 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 93.6 mt -106.69 115.42 30.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.018 177.219 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HG22 ' A' ' 20' ' ' VAL . 40.5 mt -83.71 106.41 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.031 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 126' ' ' VAL . 40.3 t -109.91 127.68 66.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.409 -173.162 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' HA ' HG21 ' A' ' 25' ' ' VAL . 43.9 p90 -138.96 175.37 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.026 176.159 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.88 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 43.3 t -122.84 151.33 41.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.301 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.83 1.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -177.573 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.594 ' CG2' HD13 ' A' ' 132' ' ' LEU . 31.8 p -108.98 -29.99 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.278 0.561 . . . . 0.0 109.907 169.84 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.88 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.0 mm-40 -82.35 77.07 9.18 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.801 179.78 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -65.91 -26.05 67.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 -177.145 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.51 -44.55 90.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.495 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.9 m -66.56 -32.41 73.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 176.966 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.9 -43.68 98.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 177.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -77.25 -30.2 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 110.921 179.038 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.47 62.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.191 -178.748 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.583 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -53.95 -33.17 56.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.927 0.394 . . . . 0.0 111.263 178.45 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.34 88.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.778 177.799 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.18 -40.02 93.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 178.448 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 22.7 m-85 -57.39 -45.03 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.66 -177.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.01 -54.04 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 110.257 179.092 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.27 -28.65 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.14 -33.95 72.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.001 179.359 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.2 mt -71.8 -40.99 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.15 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.622 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.2 mp -71.71 -11.13 60.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.145 0.498 . . . . 0.0 111.056 176.973 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -79.4 -26.26 41.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.273 177.152 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 80' ' ' ASP . 17.6 m -110.85 -23.23 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.63 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 43.4 mtmt -137.88 135.94 36.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.133 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.54 -76.18 0.48 Allowed 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.456 178.75 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.26 35.09 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -173.916 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -58.39 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -171.5 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.377 176.214 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.581 ' HG3' ' HD2' ' A' ' 179' ' ' LYS . 35.7 mmtm -144.43 150.33 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 175.271 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 111' ' ' ILE . 62.9 mt -120.61 92.29 47.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.043 178.339 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.68 125.1 10.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.079 2.519 . . . . 0.0 112.013 -178.462 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.8 mt -119.21 122.44 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.15 0.5 . . . . 0.0 111.161 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.864 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -121.29 122.82 40.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.013 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.0 t -86.67 127.18 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.161 -177.465 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.571 ' HB ' HG22 ' A' ' 92' ' ' VAL . 58.8 t -117.65 116.14 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.73 -176.72 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.05 124.53 8.16 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 175.749 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -120.36 176.23 5.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.179 0.49 . . . . 0.0 110.016 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.575 ' HG3' ' C5 ' ' A' ' 500' ' ' GNP . 2.0 mptm? 66.93 27.65 8.84 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 123.586 0.554 . . . . 0.0 110.837 -176.235 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -10.01 4.14 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.723 178.468 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.513 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . 30.1 t70 -67.1 -20.43 65.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.909 176.023 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 96' ' ' THR . 40.1 mt -78.52 49.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.568 174.103 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.36 -25.91 68.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.041 -176.719 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.37 -26.18 13.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 -177.003 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -91.73 11.37 24.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.17 179.222 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.2 ttp180 -61.9 112.15 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.428 . . . . 0.0 110.332 -177.593 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -94.75 -29.23 14.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 7.2 p -111.41 121.4 40.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.328 175.734 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.91 121.3 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.662 2.241 . . . . 0.0 111.854 178.069 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.49 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.5 OUTLIER -71.16 -13.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.457 0.646 . . . . 0.0 109.702 -178.363 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.6 -49.88 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.869 176.556 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.97 -22.74 49.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.72 94.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.928 174.052 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.46 -33.35 75.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.435 174.168 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.1 t -62.79 -42.31 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.29 179.441 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -54.47 -40.03 68.04 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.828 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.15 -47.72 80.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.048 0.451 . . . . 0.0 110.725 177.245 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.78 -33.78 74.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.338 179.23 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.5 -42.0 98.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.604 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -87.44 -17.21 32.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.283 -176.85 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.67 32.45 18.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.887 -179.027 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.18 -168.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.711 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.864 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -116.74 153.68 31.96 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.588 173.889 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 41.4 t80 -133.53 125.21 28.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.396 177.477 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.76 134.39 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 -178.303 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -84.87 121.79 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.312 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.4 p -109.97 129.05 55.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 111.21 -177.147 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.4 m -112.17 99.21 7.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.892 178.558 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.63 -16.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -179.215 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.402 ' HB2' HN21 ' A' ' 500' ' ' GNP . 53.8 tptt -69.21 -42.51 75.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.585 -179.482 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.6 p -112.23 7.41 19.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.231 -178.145 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 54.7 73.29 0.41 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.121 -177.387 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.28 127.47 37.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 178.9 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 65.89 16.34 10.43 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.04 0.837 . . . . 0.0 111.768 178.334 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.93 -55.2 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.68 -25.23 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -179.184 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.91 -47.33 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.52 -32.52 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.322 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -69.63 -45.48 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 34.4 m-85 -68.81 -37.14 79.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.299 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.57 -51.1 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -178.596 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.62 -39.48 88.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.433 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 56.1 mtm -62.09 -31.1 71.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.419 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 8.4 mmm180 -71.29 -43.05 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.604 178.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 1.3 mt-10 -55.49 -43.53 75.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.57 176.402 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.9 mt -56.3 -47.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 123.548 0.53 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 173' ' ' MET . 69.1 mtt180 -56.15 -51.31 68.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.695 177.499 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.8 m -57.83 -38.48 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.68 -178.134 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 45.9 mmtm -64.64 -46.53 82.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.613 -179.461 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 43.4 mtpt -69.89 -31.62 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 -177.778 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.2 mtm -85.51 -1.75 57.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.292 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 12.2 t -65.91 -41.59 91.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.439 -178.174 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 185' ' ' LYS . 9.0 tp10 -146.62 -70.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.763 -178.505 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.54 25.45 13.12 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.861 -176.413 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 183' ' ' GLU . 32.4 mmmt . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.174 178.197 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 43.4 m 63.93 175.03 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.093 0.557 . . . . 0.0 111.879 -179.096 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 65.54 118.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.286 0.635 . . . . 0.0 111.198 -178.756 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 29.6 m 72.82 -46.62 0.65 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -176.088 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' B' ' 398' ' ' ILE . 67.3 mt-30 -58.35 -32.03 68.16 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.122 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' B' ' 399' ' ' LYS . . . -65.27 -41.16 94.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.002 -176.531 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.0 -36.65 93.75 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 173.528 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.563 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.6 mm -60.71 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.195 -0.502 . . . . 0.0 109.909 174.553 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' B' ' 396' ' ' ALA . 11.6 mmmm -57.82 -44.56 86.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.552 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.33 -49.32 77.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.37 -179.351 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.702 -178.481 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.587 HG12 ' HB3' ' B' ' 439' ' ' LEU . 83.7 mt -58.64 -52.88 54.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.622 0.249 . . . . 0.0 110.612 -178.641 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 403' ' ' ARG . 38.4 mtm-85 -62.9 -29.1 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -177.27 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.648 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 33.9 ttt180 -61.56 -51.01 70.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.931 0.395 . . . . 0.0 109.983 176.017 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.507 ' OE1' HG23 ' B' ' 432' ' ' VAL . 80.7 mm-40 -71.79 -29.58 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.518 -178.446 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.0 mt-10 -60.45 -41.82 94.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -71.95 -39.99 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.568 176.467 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.8 mt -62.22 -51.72 66.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.723 0.297 . . . . 0.0 110.951 -178.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.606 HD11 ' OH ' ' A' ' 82' ' ' TYR . 58.4 tp -62.03 -32.51 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.956 0.407 . . . . 0.0 110.186 176.801 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.51 -42.4 87.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.313 178.096 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 98.8 p -60.52 -48.72 80.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.602 -177.923 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.5 mm? -57.65 -45.86 84.95 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.785 173.746 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.481 ' HE1' ' HB2' ' A' ' 48' ' ' ALA . 1.9 m170 -57.99 -47.28 83.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.303 -175.847 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -77.53 -35.07 53.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.637 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.39 -53.78 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.943 0.401 . . . . 0.0 111.577 -175.018 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' B' ' 425' ' ' LYS . 68.2 mt -63.53 -34.09 77.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 -176.373 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 32.6 tt0 -61.92 -21.37 64.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.099 -177.572 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.82 87.17 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.828 -178.826 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.82 12.35 5.0 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.789 178.615 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 64.6 mt -106.95 136.41 42.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.444 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.442 ' HB3' HD22 ' A' ' 81' ' ' ASN . 21.2 pttp -163.34 140.79 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.443 0.639 . . . . 0.0 111.42 175.909 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 14.5 t70 -149.45 161.45 42.08 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.803 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.57 -31.79 70.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.163 0.506 . . . . 0.0 110.879 -177.388 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.39 -31.98 73.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.228 178.591 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 57.4 mmtt -72.78 -42.5 63.89 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.279 -176.779 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.444 ' H ' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -57.34 -47.07 82.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.497 -178.866 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -68.72 -37.42 79.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.874 -179.305 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.541 ' O ' HG12 ' B' ' 432' ' ' VAL . 18.0 mmt180 -64.43 -45.56 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.745 178.233 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 429' ' ' LEU . 10.5 mt -55.96 -50.36 71.01 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 123.299 0.374 . . . . 0.0 111.642 -178.389 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.454 ' HE3' ' HD2' ' B' ' 434' ' ' ARG . 7.4 m95 -66.39 -44.25 83.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.508 179.898 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.424 ' O ' HG13 ' B' ' 435' ' ' ILE . 18.1 tp10 -60.45 -55.72 30.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.829 -0.168 . . . . 0.0 111.185 -175.034 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.597 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.5 p -62.34 -34.61 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.16 0.505 . . . . 0.0 110.467 -178.709 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.2 tp60 -56.61 -50.3 72.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.738 176.513 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.519 ' HA ' HG22 ' B' ' 437' ' ' THR . 18.1 mtp180 -69.04 -33.25 73.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 -177.893 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.9 mt -67.24 -45.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.23 176.632 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.29 -47.35 81.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 177.417 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.519 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.9 t -72.09 -34.27 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.76 0.314 . . . . 0.0 111.063 -176.388 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.89 -36.43 83.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.477 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.587 ' HB3' HG12 ' B' ' 402' ' ' ILE . 40.1 mt -69.78 -36.59 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.554 178.902 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.505 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 70.4 mmtt -59.35 -40.24 85.78 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.659 0.742 . . . . 0.0 109.037 173.57 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -66.37 -44.73 82.34 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.064 179.139 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -58.48 -33.07 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.344 177.811 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 398' ' ' ILE . 46.7 tp -61.43 -55.07 35.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 178.586 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -82.05 -0.32 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 0.0 111.107 -179.767 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.57 -28.94 30.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.707 178.605 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.161 -177.365 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.758 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -164.72 150.97 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 111.275 -178.988 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' LEU . 40.2 m -92.01 12.86 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.998 175.672 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.6 t -78.43 20.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.74 0.781 . . . . 0.0 109.513 174.147 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD22 ' HG3' ' A' ' 180' ' ' LYS . 28.2 mt -116.6 3.95 13.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.742 179.561 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.81 10.91 12.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.547 -173.591 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 tp -110.98 125.55 53.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.852 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -135.1 144.45 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.351 -178.245 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.81 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.25 118.74 26.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.836 0.35 . . . . 0.0 110.224 173.399 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.5 129.12 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.489 0.661 . . . . 0.0 110.671 -179.036 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.94 120.96 60.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.838 178.178 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.419 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 87.1 mtp -96.63 114.84 26.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.261 0.553 . . . . 0.0 109.904 179.241 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -94.67 160.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.402 -171.869 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' A' ' 71' ' ' GLY . . . 176.76 -167.03 38.22 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.051 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -142.46 -61.48 0.44 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.48 0.64 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.81 -111.55 1.59 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.11 178.661 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 -66.7 1.01 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.275 -178.919 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.523 HG11 HG23 ' A' ' 92' ' ' VAL . 98.0 t 71.36 -53.2 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 123.272 0.629 . . . . 0.0 111.779 178.924 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.585 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 108.01 19.36 9.1 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.474 -177.117 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.8 pttp -78.92 -23.02 44.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.232 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -69.75 -32.48 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.884 178.329 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.72 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.557 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.69 -36.3 78.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.736 -175.602 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.9 p -70.29 -44.16 68.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.159 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG22 ' A' ' 40' ' ' VAL . 6.4 tt -67.88 -35.91 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' OE1' ' HG2' ' A' ' 162' ' ' ARG . 81.1 mt-30 -65.57 -37.7 87.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.521 176.194 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.98 -34.02 68.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 61.0 mtm -73.85 -49.22 26.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.367 -179.839 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.8 m-85 -111.8 -76.65 0.59 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.047 -175.707 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 24.2 t70 168.45 -30.34 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.681 0.613 . . . . 0.0 111.047 -174.687 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -95.62 160.03 14.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.395 0.616 . . . . 0.0 112.036 -168.007 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.09 149.62 37.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.708 176.743 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG22 HD13 ' A' ' 32' ' ' LEU . 48.8 t -72.38 100.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 111.177 -179.123 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -79.86 -46.67 16.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.682 176.535 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.72 109.31 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 110.809 -178.821 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -172.86 91.24 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.946 176.344 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 40.7 tt0 -72.18 -63.29 1.28 Allowed Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.288 -176.001 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 26.6 Cg_exo -26.14 -103.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 125.001 3.8 . . . . 0.0 115.814 -167.755 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.54 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 24.2 p 45.23 40.07 4.74 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.016 0.526 . . . . 0.0 112.216 -178.478 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.04 -59.17 2.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.273 0.559 . . . . 0.0 109.761 179.17 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.16 7.94 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.17 171.669 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.74 125.13 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.415 -171.079 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB2' HD13 ' A' ' 67' ' ' LEU . 34.3 t -118.21 138.19 52.49 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.319 0.58 . . . . 0.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.44 145.18 33.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.465 178.974 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -105.87 154.25 20.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.253 0.549 . . . . 0.0 110.861 -176.34 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HG3' HG13 ' A' ' 55' ' ' VAL . 51.6 tptt -127.23 131.17 50.66 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.624 176.901 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.08 117.16 29.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.003 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.9 m -127.2 144.14 38.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.134 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 60' ' ' GLU . 7.5 p -110.66 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.656 0.741 . . . . 0.0 109.246 175.206 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.45 102.81 14.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.818 -179.708 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 77.6 -34.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.786 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.57 -70.29 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.042 -1.551 . . . . 0.0 115.587 -170.548 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -109.12 152.59 24.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.579 0.689 . . . . 0.0 111.612 -168.395 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.28 111.01 6.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.71 178.354 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' GLU . 40.6 t -106.68 141.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.077 -174.151 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -113.07 121.06 43.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.072 0.463 . . . . 0.0 110.154 -176.249 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 tt -123.29 127.21 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -178.21 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.81 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 60.6 m-20 -87.64 129.28 35.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.949 177.893 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -107.64 128.24 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 50' ' ' SER . 45.0 tp -123.53 108.46 12.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.867 0.365 . . . . 0.0 110.369 176.968 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.54 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 28.4 t0 -94.7 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.111 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -93.81 147.58 22.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.132 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.09 124.68 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.636 169.957 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 21' ' ' GLY . . . -95.11 85.44 0.96 Allowed Glycine 0 C--O 1.235 0.201 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.772 -176.193 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 2.5 pt? -152.64 167.31 29.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -73.62 -23.62 59.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.135 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.5 m-20 -58.66 -66.64 0.46 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.141 -176.659 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 72.0 m-85 -81.49 78.69 8.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.633 0.73 . . . . 0.0 111.4 -174.057 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -28.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.776 -179.636 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.901 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -73.74 -12.78 60.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 110.867 -179.404 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.705 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 17.0 mt -96.82 -32.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 178.773 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -92.08 -64.2 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.093 0.473 . . . . 0.0 110.567 178.194 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.64 -55.1 9.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.967 -174.306 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.848 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.3 m-20 -78.0 -18.01 56.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -171.187 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.09 -30.98 13.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.861 -0.524 . . . . 0.0 112.224 -175.926 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.583 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.6 m-30 -66.72 -25.19 66.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.21 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 1.6 tmt_? -59.47 -41.15 89.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.158 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.562 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -92.38 24.8 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.756 0.312 . . . . 0.0 111.621 -178.35 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.93 151.93 17.68 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -96.54 -71.23 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.615 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -110.72 154.66 16.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.219 -176.691 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -131.36 135.99 47.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.998 0.428 . . . . 0.0 111.075 -176.653 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 62.9 mt -104.52 107.58 18.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.211 177.65 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 8.0 mp -80.68 106.48 12.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.06 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 1.083 HG12 ' HB ' ' A' ' 126' ' ' VAL . 18.0 m -117.1 135.87 56.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.033 0.445 . . . . 0.0 110.285 -177.918 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -142.21 171.88 13.45 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 12.2 t -112.52 138.94 48.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.872 177.723 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.96 5.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.454 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 15.4 p -126.87 -0.57 6.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.174 0.511 . . . . 0.0 110.844 176.356 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 32.7 mt-10 -116.93 84.29 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.047 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.641 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 20.7 t-80 -59.02 -30.2 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.756 -170.637 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.26 -46.11 72.57 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 p -70.6 -27.97 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -177.358 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.64 -44.85 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.6 m -72.27 -32.98 67.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.027 0.441 . . . . 0.0 110.683 179.571 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.26 -13.94 62.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.212 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 p -51.1 -48.97 61.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.72 0.295 . . . . 0.0 111.628 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.53 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.61 -42.79 98.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.449 178.676 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -60.64 -51.73 68.13 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.56 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -50.75 -55.92 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.998 -177.472 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -37.43 78.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.927 -177.38 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.91 -34.8 71.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.756 0.312 . . . . 0.0 110.454 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 121' ' ' ILE . 96.9 mt -61.86 -45.28 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.629 177.573 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -40.77 92.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.794 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -57.13 -47.54 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.762 -177.88 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.583 HG21 ' HB2' ' A' ' 83' ' ' PHE . 33.1 m -81.09 -10.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.169 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.533 ' HB3' ' OE2' ' A' ' 118' ' ' GLU . 30.3 mtmt -126.9 -99.39 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.508 -178.625 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.62 -49.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 177.814 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.8 60.37 3.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.31 0.576 . . . . 0.0 110.886 -175.546 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.533 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 pt-20 -142.42 -157.93 0.82 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.15 179.668 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.46 -67.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.923 176.521 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.449 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 9.4 mmtp -160.68 138.24 9.41 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -176.634 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 111' ' ' ILE . 58.9 mt -98.65 109.38 52.95 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.559 177.345 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.615 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.2 Cg_endo -82.45 126.11 4.67 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 178.931 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.95 132.99 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.436 0.636 . . . . 0.0 111.002 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.808 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -129.75 118.04 21.22 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.785 172.867 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 17.5 t -90.39 127.36 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.923 -177.289 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 1.083 ' HB ' HG12 ' A' ' 92' ' ' VAL . 49.6 t -120.48 131.34 72.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.95 -175.535 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.97 122.49 7.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.726 178.455 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -113.38 177.58 4.58 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.546 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 69.32 16.84 8.32 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.185 0.594 . . . . 0.0 110.689 -179.164 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 m -65.33 -5.66 7.92 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.925 -177.855 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.67 -22.78 62.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.134 -179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 64.0 mt -68.22 -49.1 62.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.476 -179.103 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 62.04 -74.13 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 124.116 0.885 . . . . 0.0 112.494 178.191 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.98 -21.69 56.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.077 0.465 . . . . 0.0 110.952 -175.671 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 81.1 mtp180 -85.59 1.6 48.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.622 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -54.56 114.99 1.89 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.282 -176.824 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.641 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 35.9 tt0 -81.22 -39.35 25.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 -178.695 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.7 p -117.9 123.88 29.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 -179.338 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 51.4 Cg_exo -56.7 126.08 21.09 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.053 2.502 . . . . 0.0 112.426 -179.553 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.4 -22.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.056 178.926 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.7 -53.07 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.863 179.559 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -73.46 -29.5 62.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.806 178.595 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.1 mtp180 -60.25 -40.81 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.378 0.609 . . . . 0.0 110.93 177.532 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -75.32 -31.82 60.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.453 -172.932 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 14.0 tppt? -63.38 -48.95 75.77 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.241 178.031 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 152' ' ' VAL . . . -65.18 -37.11 86.32 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.703 177.386 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.38 -37.97 85.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 -178.718 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.44 -25.62 66.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.43 178.166 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.429 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 48.4 m0 -84.01 -4.36 58.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.93 0.395 . . . . 0.0 110.447 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.96 20.02 76.63 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.851 -178.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 147' ' ' ALA . 15.6 m -110.76 -179.94 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.266 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.808 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -110.63 149.68 30.08 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.458 177.088 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 86.9 t80 -121.89 122.64 39.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.871 176.642 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 40.4 t -122.77 135.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.309 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.9 143.91 27.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 178.691 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.2 p -131.12 154.75 47.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 178.414 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.2 m -133.35 103.56 6.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.618 176.735 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.71 6.92 13.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -178.891 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -87.1 -50.1 6.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.95 179.831 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 p -97.06 -2.61 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.428 ' HG2' ' OE1' ' A' ' 33' ' ' GLN . 87.6 mtm180 62.36 61.98 1.21 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.108 -175.243 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -121.71 134.71 54.95 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.843 -178.499 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 70.0 10.82 7.55 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.833 0.708 . . . . 0.0 111.667 176.084 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.76 -54.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.812 -176.834 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -74.16 -24.95 59.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 -178.514 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.7 -49.61 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.686 -176.897 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 35.7 m -68.34 -24.75 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.902 -177.151 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -74.36 -56.33 4.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.483 179.188 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -63.09 -32.89 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.307 -175.198 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.19 -51.06 65.6 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.787 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.575 HD11 HD11 ' A' ' 176' ' ' ILE . 1.7 tm? -65.12 -39.17 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.896 177.352 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.8 mtp -60.59 -31.25 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.478 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -67.85 -48.09 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.812 176.988 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.67 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 4.3 mm-40 -52.61 -44.93 66.33 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 177.359 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 172' ' ' LEU . 60.8 mt -58.89 -29.38 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.511 -177.246 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -65.1 -49.61 69.31 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.368 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.3 m -57.55 -32.4 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -178.204 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.1 mptt -70.28 -48.55 56.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 12' ' ' LEU . 14.2 ptpt -75.83 -20.07 58.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.649 179.037 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.5 mtm -87.08 -1.58 57.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.563 0.221 . . . . 0.0 110.918 174.686 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 22.6 t -58.49 131.45 50.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.895 -177.639 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 9.7 tp10 -152.25 -71.97 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.456 178.715 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.49 21.8 10.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.424 0.63 . . . . 0.0 110.64 177.755 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 183' ' ' GLU . 13.8 mmmm . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.875 -179.357 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.7 ' HB3' ' HB2' ' B' ' 396' ' ' ALA . 38.5 m -113.98 -62.45 1.59 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 176.58 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 47.94 83.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.912 0.757 . . . . 0.0 112.711 179.174 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.8 m 76.93 -40.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.809 175.606 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.484 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 31.7 mt-30 -59.87 -28.89 67.91 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.62 0.247 . . . . 0.0 110.951 -178.189 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' B' ' 392' ' ' SER . . . -60.14 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 110.503 178.123 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.39 91.72 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.843 177.597 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.633 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.9 mm -59.06 -48.69 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 175.906 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -58.59 -40.28 82.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.342 -178.954 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.06 -38.37 90.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 179.052 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.548 ' HB3' HD11 ' B' ' 439' ' ' LEU . 3.4 tp10 -73.94 -35.77 64.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.053 179.507 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 398' ' ' ILE . 74.0 mt -57.98 -54.28 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.748 175.902 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -63.32 -29.41 70.73 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 77.4 ttt180 -59.2 -50.68 73.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.047 174.843 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -73.02 -29.77 63.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 -179.122 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 81.4 mt-10 -61.96 -40.33 95.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.899 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.66 -44.23 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.689 176.317 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.3 mt -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.227 -178.519 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 40.9 tp -68.78 -32.46 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.229 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.73 -44.86 93.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.124 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 7.6 t -60.89 -54.49 44.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.839 177.662 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.5 mm? -52.73 -32.94 45.73 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.469 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.448 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 32.6 m170 -71.24 -50.69 30.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.008 177.878 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -77.07 -39.96 47.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -171.574 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -64.13 -39.41 93.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.916 0.388 . . . . 0.0 110.732 -178.653 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.578 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -78.22 -33.53 49.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.901 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 1.8 mt-30 -71.49 -12.29 61.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.078 174.055 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.85 -8.45 84.28 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.953 175.538 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 7.35 32.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.412 175.643 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 70.5 mt -102.6 117.26 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.006 0.403 . . . . 0.0 110.23 176.746 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.12 144.73 47.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.743 0.782 . . . . 0.0 111.503 179.42 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.1 t70 -148.67 161.73 41.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.28 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.512 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.1 mp -66.02 -26.33 67.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.11 0.481 . . . . 0.0 110.504 -177.791 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.4 m -66.98 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.0 176.007 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.3 mmtt -73.41 -44.09 59.09 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.382 -175.665 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 24.8 mt-10 -60.53 -48.46 81.67 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.038 -178.379 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 6.4 mm-40 -64.26 -44.71 90.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.791 177.765 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.489 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 tpt180 -68.61 -32.28 72.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 -177.1 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.461 HD22 ' CZ ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -56.18 -49.92 72.68 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.27 0.557 . . . . 0.0 109.568 176.727 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -65.26 -45.08 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.1 176.595 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.51 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 48.4 mt-10 -57.66 -55.85 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.073 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.0 p -61.35 -35.52 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.595 -176.783 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -62.28 -48.47 79.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.059 0.457 . . . . 0.0 110.762 174.519 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.51 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 31.5 mtp180 -59.99 -38.54 82.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -70.53 -42.26 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.452 178.121 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' B' ' 406' ' ' GLU . 3.2 tm? -57.63 -50.93 71.54 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.212 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 4.5 t -69.43 -30.89 68.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 -177.013 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.05 -38.05 75.7 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.33 174.922 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -59.85 -44.59 94.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.651 179.742 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.546 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -68.07 -42.92 79.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.16 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.1 mmmt -61.54 -27.95 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.973 176.418 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.27 -41.08 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.982 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -77.36 -16.81 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.359 176.361 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.54 -9.22 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.989 -175.312 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.484 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.6 179.005 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.585 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 71.65 -75.94 0.07 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.18 0.592 . . . . 0.0 110.443 179.656 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -155.58 17.67 0.39 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.918 175.731 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m 62.04 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.951 -175.59 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.82 -52.41 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.54 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.54 15.06 2.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.743 174.226 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -149.25 112.4 4.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.119 0.485 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 10.3 m170 -126.81 136.2 52.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.424 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -111.54 123.58 50.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.308 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.7 120.01 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.593 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.7 mt -106.15 131.34 56.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 0.0 111.588 -174.682 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.772 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 9.1 mmt -88.59 111.93 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.799 175.015 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 90' ' ' LEU . 19.8 m -94.76 175.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.587 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.88 175.29 39.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.861 -1.162 . . . . 0.0 113.021 179.467 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.773 ' HB2' ' HE1' ' A' ' 107' ' ' PHE . 5.1 t -153.64 25.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.48 -139.25 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.277 -176.993 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.16 -73.74 1.01 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 119.865 -1.16 . . . . 0.0 112.185 178.097 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t 69.55 -46.56 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 112.158 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.556 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 105.51 31.59 4.23 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.158 -178.691 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.909 ' HB3' HG21 ' A' ' 92' ' ' VAL . 58.5 pttt -66.75 -40.64 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -174.45 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . 17.0 p -78.08 1.72 20.17 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.83 -174.462 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' HB2' " O3'" ' A' ' 500' ' ' GNP . . . -71.96 -48.62 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 170.564 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.72 -40.93 96.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.292 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.5 p -65.4 -43.21 91.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.241 -176.771 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.93 -41.99 81.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.598 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.24 -35.23 79.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 178.505 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -69.13 -46.13 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 178.756 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 71.8 mtm -74.91 -41.43 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.649 -175.253 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -93.57 5.14 52.6 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.335 -176.037 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 73.36 -38.46 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.686 0.794 . . . . 0.0 112.664 172.351 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -106.29 -177.87 3.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.473 . . . . 0.0 111.407 -176.169 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -74.68 142.47 44.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.164 178.222 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG11 ' HD1' ' A' ' 43' ' ' TYR . 9.6 t -72.34 104.39 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.611 -173.702 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -100.09 -21.69 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.556 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.38 85.32 2.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.447 172.6 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.438 ' HD1' HG11 ' A' ' 40' ' ' VAL . 48.9 t80 -105.17 116.93 32.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.95 -177.119 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -120.88 146.01 42.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.152 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.95 107.03 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.276 2.651 . . . . 0.0 113.407 -178.192 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -87.7 93.03 9.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -87.75 -56.84 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 110.524 175.61 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.62 14.13 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.7 0.762 . . . . 0.0 109.537 175.054 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -86.83 103.94 15.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.077 -173.333 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -109.51 171.74 7.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.734 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 6.8 t80 -161.47 168.79 23.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.11 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' CB ' ' A' ' 52' ' ' ARG . 1.3 ptp180 -136.51 161.23 36.44 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.527 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 64' ' ' ILE . 49.1 tptt -127.64 143.01 51.2 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.617 -178.474 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -94.96 120.46 35.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 109.983 172.08 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.31 143.5 36.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.602 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 6.7 p -94.28 102.37 13.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.823 0.82 . . . . 0.0 109.308 178.279 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.72 102.07 14.68 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.944 -174.533 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.25 5.78 4.42 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.334 170.186 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.84 -30.23 1.81 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.257 176.679 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.4 pt-20 -95.74 130.18 42.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.192 0.496 . . . . 0.0 109.861 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -71.76 111.73 7.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 169.566 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.1 t -106.08 153.52 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.259 -166.816 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.29 119.25 38.63 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 167.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' LYS . 12.1 tt -101.03 111.16 29.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.872 0.844 . . . . 0.0 109.273 -178.42 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.662 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 21.2 t70 -87.95 109.52 19.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.959 -173.596 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mm -108.65 120.73 60.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.131 -173.059 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 82' ' ' TYR . 57.6 tp -111.49 118.51 35.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.262 176.946 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.567 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 24.0 t0 -98.77 94.98 6.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.34 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -78.17 149.59 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.088 -172.53 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.62 106.92 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 172.491 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' ' 79' ' ' ARG . . . -81.49 72.65 2.73 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.476 -178.048 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -150.6 170.99 17.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.818 0.342 . . . . 0.0 110.656 178.778 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 -24.69 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.874 -175.175 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.455 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.4 m-20 -61.94 -73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.353 0.596 . . . . 0.0 111.294 -177.471 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' CB ' HD12 ' A' ' 78' ' ' ILE . 65.5 m-85 -78.12 68.09 4.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.195 -176.507 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.14 68.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.216 177.258 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.19 -15.71 61.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.271 -179.698 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 64.9 mt -96.57 -32.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.722 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 27.5 ttp180 -92.35 -61.07 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.042 177.855 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.6 -53.96 10.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.591 -173.633 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.547 ' HB3' HD23 ' B' ' 416' ' ' LEU . 26.2 m120 -76.0 -17.65 59.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.668 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -79.64 -23.78 42.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.33 -179.382 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB2' HG21 ' A' ' 114' ' ' VAL . 22.1 m-30 -73.67 81.3 1.54 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.694 ' HG3' ' HB2' ' B' ' 426' ' ' GLU . 86.5 mmt-85 -133.88 -84.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.125 177.671 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.25 40.22 0.48 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.11 0.481 . . . . 0.0 111.733 -174.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.65 134.65 9.43 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.714 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 15.9 mp0 -87.6 -65.31 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.788 0.327 . . . . 0.0 110.81 -178.531 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.65 139.8 14.81 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.147 -171.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.516 ' CE2' HD12 ' A' ' 18' ' ' ILE . 94.7 m-85 -125.33 126.68 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 178.578 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 97.3 mt -96.66 116.61 29.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.428 179.493 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 123' ' ' LEU . 57.3 mt -90.47 107.18 19.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.128 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.909 HG21 ' HB3' ' A' ' 27' ' ' LYS . 18.8 m -108.87 139.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 -175.415 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -153.42 164.94 37.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 t -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.176 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.45 5.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.494 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.58 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.5 p -92.56 -27.16 17.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.213 0.53 . . . . 0.0 110.403 174.766 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.15 110.85 22.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.329 -178.489 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -70.88 -19.51 62.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.815 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.37 -55.01 24.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.407 179.118 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 m -59.0 -33.14 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.531 177.739 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -63.92 -36.08 82.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 177.57 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -79.87 -29.42 39.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.413 0.625 . . . . 0.0 110.096 178.8 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -13.91 62.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.933 -178.823 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 35.8 p -54.22 -39.63 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 178.112 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.08 82.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.759 177.469 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.49 87.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.34 179.197 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.773 ' HE1' ' HB2' ' A' ' 22' ' ' SER . 5.3 m-85 -57.76 -49.17 77.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.415 0.626 . . . . 0.0 109.721 178.064 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -59.23 -50.76 72.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.808 -176.922 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -32.64 74.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.953 -176.814 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.911 0.386 . . . . 0.0 109.976 177.676 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 107' ' ' PHE . 61.7 mt -62.72 -50.19 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.093 179.084 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.88 -24.19 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.262 -178.135 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 -178.799 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB2' ' A' ' 83' ' ' PHE . 22.6 m -95.35 -21.2 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.054 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HG2' HG23 ' A' ' 114' ' ' VAL . 6.7 mmmt -109.61 -84.09 0.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -177.876 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.6 -64.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.622 0.769 . . . . 0.0 112.915 179.231 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -80.11 54.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.147 0.499 . . . . 0.0 111.375 -175.392 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -103.92 178.31 4.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.801 -178.535 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.98 -69.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 170.62 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 35.0 mmtm -157.48 134.73 10.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.742 172.599 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 53.5 mt -101.52 104.36 33.68 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.501 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 7.9 Cg_endo -88.61 120.92 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.395 2.73 . . . . 0.0 112.665 179.794 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 91' ' ' LEU . 7.3 mp -109.89 153.89 23.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.29 177.799 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.9 tp -136.67 121.5 18.68 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.472 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.494 ' N ' HD12 ' A' ' 124' ' ' LEU . 23.1 t -86.06 116.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.094 -178.923 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -110.26 119.08 58.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.381 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.66 113.22 4.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.234 177.756 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -104.34 169.53 8.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 -177.404 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 69.14 33.01 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.697 0.623 . . . . 0.0 111.17 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -75.27 54.33 0.7 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.6 0.714 . . . . 0.0 109.692 174.682 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -135.01 0.9 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.032 -175.798 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.4 OUTLIER -99.78 -51.04 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 -179.467 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 64.59 -71.33 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 112.371 179.361 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 10.5 pt-20 -66.43 -21.47 66.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.995 0.426 . . . . 0.0 111.652 -175.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 54.0 mtt-85 -93.0 21.39 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -175.285 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.578 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 48.1 ttp180 -63.36 113.71 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -178.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -92.52 -27.68 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.156 0.503 . . . . 0.0 110.039 175.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 4.2 p -130.97 122.98 19.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 36.3 Cg_exo -62.27 133.48 43.75 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.916 2.411 . . . . 0.0 112.645 178.594 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -54.16 -28.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.021 174.625 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.44 -42.49 78.2 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.778 178.004 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.12 -39.0 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.277 179.515 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.02 88.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 178.879 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.6 mtp180 -70.29 -32.88 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.5 179.223 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.8 t -58.22 -45.01 88.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 178.311 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.74 -42.83 99.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.98 88.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.426 . . . . 0.0 110.528 177.339 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.76 -42.08 98.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.479 178.882 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.27 -36.45 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -178.423 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -83.77 -9.82 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -178.016 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.28 25.3 61.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.322 178.951 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.41 176.83 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 120.577 0.227 . . . . 0.0 110.696 -177.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.3 pm0 -102.2 157.79 16.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.087 175.519 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -120.7 121.2 37.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.156 175.749 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 127.44 74.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -177.951 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.56 122.88 30.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.496 178.709 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.6 p -129.87 150.83 50.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.372 0.606 . . . . 0.0 111.706 -177.02 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.8 p -136.68 102.31 4.87 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 173.721 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.73 -12.25 33.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.172 178.949 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -61.91 -36.31 80.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.423 179.762 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -130.93 12.68 5.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 -178.767 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 66.59 22.75 10.47 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.598 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.17 119.44 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.289 -177.215 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 69.59 7.74 6.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.765 175.628 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -42.19 94.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -175.796 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.86 -25.33 53.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.358 -176.901 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.89 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -175.545 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.38 -28.65 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.433 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -74.76 -51.3 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.693 0.283 . . . . 0.0 110.555 179.649 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -67.29 -39.69 86.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.063 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.768 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.166 -178.36 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.488 ' HA ' HD12 ' A' ' 176' ' ' ILE . 46.9 mtm -63.82 -29.94 71.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.728 -179.409 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -59.12 -43.85 91.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.032 178.518 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.82 -32.79 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 178.278 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 173' ' ' MET . 73.3 mt -59.23 -31.89 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.181 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -66.81 -51.62 53.55 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.526 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.0 m -60.65 -39.56 88.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.146 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.1 mptt -67.41 -45.05 77.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -178.924 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -73.89 -31.03 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.8 mtt -76.08 -25.52 55.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 177.21 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 22.7 t 65.51 -169.73 0.2 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.802 176.391 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 185' ' ' LYS . 34.3 tt0 -105.36 -81.5 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.782 178.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.9 m120 52.42 36.44 20.06 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 122.902 0.481 . . . . 0.0 111.4 178.109 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 183' ' ' GLU . 65.9 mttm . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.417 -178.849 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 112.33 -0.308 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 396' ' ' ALA . 31.2 p -76.72 49.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 111.253 -179.583 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -91.97 -77.09 0.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.5 m -68.16 -34.95 77.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.205 0.526 . . . . 0.0 110.322 176.835 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 81.2 mt-30 -62.6 -27.75 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.673 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -59.95 -55.71 30.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.588 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.79 91.87 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 45.7 mm -61.87 -53.21 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.651 0.262 . . . . 0.0 110.85 177.957 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.2 mttt -63.84 -36.47 84.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.728 -175.814 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 70.6 mm-40 -58.93 -47.61 84.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.162 0.506 . . . . 0.0 109.963 176.371 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.73 -37.88 82.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.335 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 97.3 mt -55.92 -53.29 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.518 178.28 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.461 HH11 ' HD2' ' B' ' 403' ' ' ARG . 56.4 mtt85 -58.38 -35.37 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.287 -177.7 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -69.0 -44.82 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.864 179.129 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 30.8 mm-40 -72.55 -29.89 63.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.538 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 51.5 mt-10 -60.01 -46.47 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 173.7 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.2 -43.11 99.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.032 178.176 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 412' ' ' LEU . 38.0 mt -60.99 -52.46 64.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.786 179.593 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.42 -44.39 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.141 0.496 . . . . 0.0 110.027 178.579 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.46 -47.11 79.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.072 177.762 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 14.0 t -60.0 -55.45 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.714 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.9 mm? -56.17 -35.75 67.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.983 0.421 . . . . 0.0 111.5 179.459 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.571 ' HD2' HD21 ' B' ' 429' ' ' LEU . 21.4 m170 -70.39 -34.15 72.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.92 -50.71 10.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.639 0.257 . . . . 0.0 111.349 177.069 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -57.55 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.82 -174.375 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.9 mp -69.13 -26.74 65.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.702 -178.527 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.7 tt0 -69.43 -35.82 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.183 0.516 . . . . 0.0 109.857 177.282 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.41 -25.47 74.24 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.377 178.057 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.14 18.24 3.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.24 116.66 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.941 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -139.03 144.97 39.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.949 0.881 . . . . 0.0 111.95 179.469 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.747 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.9 t70 -149.49 162.54 39.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.459 179.068 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.69 -30.65 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.014 0.435 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.1 m -66.31 -32.22 73.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 177.969 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.747 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.6 mmtt -69.65 -52.45 25.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.734 -175.007 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.694 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . 6.2 pt-20 -66.44 -37.12 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.646 -175.124 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.35 -41.6 76.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.669 0.271 . . . . 0.0 111.131 175.276 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -61.65 -41.24 97.24 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.704 0.288 . . . . 0.0 110.564 174.489 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -55.4 -53.42 56.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.014 -176.143 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.503 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 48.0 m95 -62.54 -47.96 81.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.489 -179.316 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.28 -49.91 73.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.057 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.7 p -62.48 -35.24 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.945 0.402 . . . . 0.0 110.505 179.833 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 19.5 tp60 -56.86 -49.06 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 173.906 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 33.9 mtt180 -68.2 -37.75 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.445 179.655 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -61.15 -46.29 96.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.31 176.885 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 30.0 tp -64.2 -37.51 87.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.155 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.563 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.12 -39.89 68.53 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.643 -178.708 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.81 -35.82 80.94 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 109.613 174.665 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.486 ' HG ' HG12 ' B' ' 402' ' ' ILE . 30.9 tp -66.74 -35.78 80.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.183 178.662 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.58 -43.3 93.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.269 0.557 . . . . 0.0 109.759 173.461 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -59.55 -44.46 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.459 177.781 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.0 mmmt -58.98 -34.12 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.441 178.537 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 60.1 tp -66.02 -44.54 84.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.441 178.249 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -82.53 -2.1 52.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.454 179.589 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.51 -25.75 22.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.089 179.387 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.699 179.96 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.556 " H3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 12' ' ' LEU . 92.5 mt-30 -142.01 -175.33 4.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.708 0.254 . . . . 0.0 110.963 -178.56 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.3 t 75.17 -49.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.92 0.763 . . . . 0.0 111.171 179.519 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -81.86 17.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.303 0.573 . . . . 0.0 110.594 177.33 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 9' ' ' GLN . 76.1 mt -95.93 13.24 27.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.874 -176.902 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 2.23 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 178.819 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -123.48 123.33 40.41 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.654 178.745 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HE1' ' HB3' ' A' ' 177' ' ' ARG . 15.0 m-70 -133.27 135.41 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.017 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.46 125.95 50.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.259 0.552 . . . . 0.0 110.727 176.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.8 129.17 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.78 -174.243 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.79 122.24 63.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 29.5 mtt -90.63 127.95 36.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.205 175.431 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.99 173.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.16 -173.0 27.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.875 -179.387 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -87.22 -10.08 53.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.325 0.583 . . . . 0.0 110.556 179.71 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.96 -45.66 1.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.085 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.11 -1.55 49.6 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.431 -0.384 . . . . 0.0 113.033 -178.316 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 29.7 m -78.18 -0.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.775 -177.524 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.461 ' HA2' H5'1 ' A' ' 500' ' ' GNP . . . 76.84 26.17 63.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.602 178.186 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 9.8 ptmm? -62.48 -31.0 71.67 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.764 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 m -75.33 -24.03 57.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 178.06 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.5 68.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.457 -177.175 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 128' ' ' ASN . 80.6 mt -68.99 -39.27 79.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.899 -176.635 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -67.41 -46.68 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.81 -178.208 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.77 -40.02 72.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 177.057 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -60.81 -52.17 66.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.417 177.18 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -67.68 -27.69 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -176.514 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -91.47 -52.58 4.71 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -174.04 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -109.89 -5.35 15.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.9 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.45 22.5 7.81 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.448 0.468 . . . . 0.0 111.522 179.88 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -125.32 159.12 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.953 0.406 . . . . 0.0 110.63 179.609 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.32 146.83 24.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.649 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.66 110.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 122.01 0.909 . . . . 0.0 111.53 -176.174 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -101.59 -43.75 5.79 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.802 175.7 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.8 94.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 177.504 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -170.57 90.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.564 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.653 ' HA ' ' O ' ' A' ' 503' ' ' HOH . 62.0 mm-40 -104.26 -42.64 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.722 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.8 Cg_exo -26.59 -81.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 123.907 3.071 . . . . 0.0 114.98 -175.67 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 11.8 p 44.49 45.4 7.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.323 0.582 . . . . 0.0 111.649 -177.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.64 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 109.353 178.303 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' B' ' 409' ' ' LEU . . . -126.53 26.81 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.991 172.868 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.815 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -84.04 65.59 8.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.766 -171.777 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m -91.68 150.94 20.89 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.929 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 75.8 m-85 -142.43 160.19 40.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.958 0.409 . . . . 0.0 111.345 -176.542 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.53 ' HD2' ' OE1' ' A' ' 63' ' ' GLN . 4.0 tpp180 -94.42 108.15 20.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.344 -176.59 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -110.78 119.67 39.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.921 0.391 . . . . 0.0 110.152 177.678 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.49 126.39 41.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.541 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.53 147.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.52 175.806 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.05 115.03 44.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.13 178.552 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 170' ' ' PHE . 86.4 mt -93.95 96.04 9.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.505 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 20.79 85.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 125.272 1.607 . . . . 0.0 113.699 -174.273 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.01 -57.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.811 175.372 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.39 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.192 0.496 . . . . 0.0 111.875 -172.58 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.1 109.68 7.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 168.673 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -106.68 139.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -175.152 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.53 ' OE1' ' HD2' ' A' ' 52' ' ' ARG . 72.8 mt-30 -113.45 127.43 56.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.68 125.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.533 0.682 . . . . 0.0 110.337 177.852 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.36 117.77 35.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.444 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.88 128.6 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.744 -174.101 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 430' ' ' TRP . 57.1 tp -116.77 114.31 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.468 172.472 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.7 t70 -94.03 94.53 8.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.688 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -72.59 148.53 44.81 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.086 -175.317 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -75.97 142.94 41.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.968 174.388 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.61 22.44 39.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.993 -179.598 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -103.72 163.46 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 111.33 -177.525 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -93.57 -3.68 52.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.265 -178.734 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -59.16 -72.96 0.09 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.672 -178.518 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.57 -54.3 9.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.406 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.98 -45.55 0.5 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.096 -173.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.21 -38.18 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.432 0.693 . . . . 0.0 112.483 179.557 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.59 -36.78 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.22 0.325 . . . . 0.0 110.996 -177.204 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.0 ttm180 -93.52 -64.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.398 0.618 . . . . 0.0 111.262 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 3.4 m-20 -74.68 -41.78 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.34 -168.217 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 9.8 m120 -76.21 -15.79 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -176.584 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 77' ' ' ALA . 12.7 m-85 -89.01 1.42 55.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.477 176.51 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 8.0 m-30 -72.66 -169.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.767 -178.746 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.724 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 89.4 mtt180 70.22 -68.04 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.713 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 m -63.02 -24.22 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.904 0.383 . . . . 0.0 110.426 179.713 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.18 136.24 23.58 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 173.587 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.41 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -175.327 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.48 145.32 17.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.95 -176.913 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -128.57 135.42 49.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.146 0.498 . . . . 0.0 110.95 -179.159 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 95.2 mt -111.44 114.61 27.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.169 177.901 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 125' ' ' VAL . 45.7 mt -85.49 106.52 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -109.8 132.75 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.423 -175.891 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 26.2 p90 -147.98 160.88 42.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.073 178.04 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 39.9 t -95.18 146.28 24.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.145 176.767 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.49 6.36 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.161 0.505 . . . . 0.0 111.348 -178.305 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.911 HG21 HD22 ' A' ' 132' ' ' LEU . 42.4 p -123.92 5.9 8.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.88 0.371 . . . . 0.0 111.33 176.507 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 61.1 mt-10 -109.74 96.79 6.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.012 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -66.21 -30.05 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.338 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.24 -53.14 59.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.562 177.331 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -64.66 -32.39 74.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 110.576 179.015 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.58 -49.38 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.234 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 m -67.29 -29.19 68.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.194 0.521 . . . . 0.0 110.769 178.272 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.61 -21.96 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.207 -177.164 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.601 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.5 p -58.99 -35.88 73.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 -179.456 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.19 92.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.637 177.226 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.45 -42.16 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.436 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.5 m-85 -58.31 -51.48 69.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -178.464 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 108' ' ' ARG . 2.2 ptm180 -62.36 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -175.8 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.7 -33.43 73.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.99 -179.084 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.82 -33.74 76.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 178.58 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.7 mt -65.49 -47.18 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.05 178.376 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.81 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.749 178.377 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -63.81 -30.41 71.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.165 -179.329 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.7 m -108.76 -21.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.293 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.724 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 29.8 mtpp -106.64 -91.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -177.24 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.29 -68.1 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.601 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.41 38.76 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.819 0.448 . . . . 0.0 112.179 -172.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.687 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 3.6 mm-40 -100.34 -162.25 0.93 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.075 -176.183 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 62.7 m-20 -63.55 -79.35 0.04 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.703 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.913 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.4 mmtm -157.18 141.72 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.514 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 111' ' ' ILE . 44.8 mt -98.65 107.73 44.39 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 120.65 0.262 . . . . 0.0 110.612 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -93.39 122.14 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 123.328 2.686 . . . . 0.0 111.851 176.699 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.4 mp -117.54 124.89 49.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 0.0 110.351 -179.338 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.747 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -115.49 117.43 30.36 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 174.82 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.744 HG22 HD12 ' A' ' 91' ' ' LEU . 13.1 t -84.25 116.14 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.574 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.03 109.24 27.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.438 -176.371 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.62 115.07 3.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 174.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.611 HD21 HD21 ' A' ' 30' ' ' LEU . 6.2 t-20 -124.85 -169.97 2.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.986 0.393 . . . . 0.0 109.987 -176.37 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 131' ' ' ASP . 29.3 mmmt 60.85 24.9 14.84 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.464 0.477 . . . . 0.0 110.278 -176.311 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.41 ' HB2' ' HB3' ' A' ' 158' ' ' SER . 19.2 m -72.2 30.11 0.05 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.464 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.7 t70 -84.61 -28.42 26.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.595 0.712 . . . . 0.0 109.373 176.267 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.911 HD22 HG21 ' A' ' 96' ' ' THR . 6.1 mp -82.04 80.74 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.573 178.117 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -82.29 -42.88 18.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.513 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -82.06 -22.14 36.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.141 -178.959 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -105.89 8.53 32.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.735 -174.708 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.0 ttm105 -52.71 114.51 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.945 -178.129 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.612 ' HB2' ' HA ' ' A' ' 96' ' ' THR . 30.3 mm-40 -87.71 -33.13 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.785 -176.819 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 p -118.58 120.97 31.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.044 0.45 . . . . 0.0 110.695 176.908 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 123.26 13.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.064 2.509 . . . . 0.0 111.925 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.634 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -70.29 -18.28 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.937 -176.524 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.81 -50.82 69.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.274 178.826 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.77 -24.47 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.184 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.48 85.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.237 173.693 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.706 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 23.1 mtp180 -64.21 -39.57 94.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.179 0.514 . . . . 0.0 110.074 175.138 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.0 t -63.61 -33.0 74.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.609 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -65.81 -37.25 85.76 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -62.3 -37.43 85.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 0.0 110.095 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.42 -40.2 85.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.601 178.407 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.54 -40.57 92.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.919 179.453 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -88.66 -4.33 58.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.13 -176.431 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.22 40.8 70.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.625 179.17 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 29.2 m -125.62 -173.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.549 0.214 . . . . 0.0 111.22 -178.38 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.747 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -99.86 155.15 17.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.485 177.029 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.706 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 58.0 t80 -132.28 124.67 29.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.44 124.64 67.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 -179.276 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -85.19 115.1 22.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.061 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 80.6 p -121.62 162.02 21.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -174.317 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 30.0 p -152.93 130.13 11.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.362 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.75 -0.55 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.437 0.636 . . . . 0.0 110.166 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.489 ' HD3' HN21 ' A' ' 500' ' ' GNP . 27.9 tptp -79.51 -44.59 20.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.51 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 40.1 p -99.99 -9.17 23.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 -178.336 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 45.56 9.99 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.452 -177.256 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -115.99 136.11 53.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 70.44 7.97 6.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.879 176.846 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 168' ' ' VAL . 82.4 t -70.52 -52.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.655 0.264 . . . . 0.0 110.622 -178.583 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -72.29 -23.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -57.83 -47.11 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.522 -176.596 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -65.03 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.901 -174.841 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -70.95 -50.86 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.637 -179.556 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.453 ' CD1' HD21 ' A' ' 57' ' ' LEU . 47.4 m-85 -68.11 -38.91 82.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.276 -177.421 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.53 -51.91 67.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.628 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 176' ' ' ILE . 37.8 tp -61.64 -42.94 99.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.552 -179.003 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.8 mtm -61.24 -30.82 70.68 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.648 -178.515 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 9.5 mmm180 -68.0 -39.9 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.907 179.412 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.733 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 21.3 mt-10 -72.7 -37.29 67.88 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.795 175.127 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -54.63 -48.12 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.606 0.241 . . . . 0.0 111.082 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 181' ' ' MET . 13.9 ptp180 -67.86 -29.12 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.767 -178.377 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.2 m -77.19 -31.32 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -178.22 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.913 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 70.7 mmtt -66.11 -36.51 83.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.068 0.461 . . . . 0.0 110.255 178.934 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 24.5 mtpp -74.11 -21.65 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 -177.742 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 61.6 mtt -69.57 -36.02 75.9 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.819 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 7.4 t 63.71 -162.45 0.28 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.821 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -85.03 108.91 17.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.136 0.493 . . . . 0.0 110.313 179.913 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -103.87 20.87 17.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.454 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.476 -179.032 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 24.9 p -87.84 18.54 4.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.686 0.279 . . . . 0.0 111.438 -178.467 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.29 123.93 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 178.833 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.552 ' O ' HG12 ' B' ' 398' ' ' ILE . 46.9 m 74.35 -43.0 0.52 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.682 0.614 . . . . 0.0 111.545 -178.736 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.94 -30.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.87 -54.91 41.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.19 -34.81 90.98 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.963 178.845 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 394' ' ' THR . 46.4 mm -60.45 -52.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.338 . . . . 0.0 110.168 176.374 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 63.0 mttm -59.11 -43.98 91.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.606 -178.084 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.21 -38.55 90.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.164 -178.157 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.648 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 8.5 tp10 -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.686 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.5 mt -53.62 -53.58 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.592 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 79.2 mtp180 -61.79 -35.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.939 -177.17 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.648 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 38.0 ttm180 -61.2 -52.56 64.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.37 176.637 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.1 mm-40 -68.77 -27.8 66.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.14 -176.93 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.9 mt-10 -60.38 -37.41 80.7 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.019 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.99 -49.44 67.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 178.27 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.549 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.9 mp -56.09 -52.2 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.999 176.028 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.514 HD23 HG13 ' B' ' 432' ' ' VAL . 2.4 tm? -56.21 -47.1 79.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.12 177.574 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -57.58 -45.8 84.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.167 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.73 -55.27 36.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.379 -178.294 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -52.17 -43.08 63.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.92 0.391 . . . . 0.0 111.033 177.863 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.83 -44.14 96.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.374 -179.85 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -76.48 -41.03 48.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.28 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.3 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.384 -179.126 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 38.6 mt -70.4 -27.52 64.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.443 -175.624 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.23 -23.99 62.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 178.285 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.72 3.35 56.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.156 -178.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.82 28.76 10.64 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.908 178.494 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.5 133.58 68.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.843 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -155.52 144.77 20.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 0.0 111.798 178.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.578 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 24.8 t70 -150.86 166.88 29.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.761 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.26 -23.94 62.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.416 0.627 . . . . 0.0 110.603 -179.43 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -67.86 -31.48 71.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.615 175.898 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 60.8 mmtt -72.72 -49.74 29.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.61 -176.567 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.5 ' OE1' ' HD2' ' A' ' 84' ' ' ARG . 8.9 pt-20 -59.34 -45.65 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.997 -177.819 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.2 mm-40 -63.23 -47.01 84.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.004 178.433 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.553 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.5 mmt180 -61.09 -37.23 81.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.898 178.242 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.407 HD11 HD12 ' B' ' 416' ' ' LEU . 9.1 mt -56.37 -49.93 73.02 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.004 177.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.555 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 93.7 m95 -70.66 -34.35 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.867 -177.489 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.553 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 54.4 mt-10 -61.61 -56.4 20.3 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.803 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.9 p -64.96 -33.26 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.408 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -54.88 -52.23 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.394 177.271 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.2 mpt_? -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.245 -178.196 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.8 mt -65.77 -47.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.826 0.345 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.423 HD11 HG23 ' B' ' 402' ' ' ILE . 34.8 tp -59.85 -42.91 94.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.686 -179.068 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.2 -34.46 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.289 -178.308 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.33 -39.49 94.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.031 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.686 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.2 mp -59.3 -44.14 92.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 175.824 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -58.45 -41.35 84.92 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.244 0.545 . . . . 0.0 110.194 177.102 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.403 ' O ' ' HD3' ' B' ' 441' ' ' ARG . 2.4 tmt_? -67.39 -43.68 80.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.572 179.166 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.5 mmmm -57.98 -35.97 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.018 176.786 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.1 -45.01 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.548 178.028 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.33 -2.93 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.38 179.2 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -91.61 -20.14 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.398 0.618 . . . . 0.0 109.518 175.454 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.438 179.357 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.498 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 503' ' ' HOH . . . . . 0.653 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -179.64 -50.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.564 0.697 . . . . 0.0 109.539 -177.579 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -150.03 -135.86 0.07 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.872 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.7 m -87.92 83.49 7.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.31 173.014 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.72 6.43 12.38 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.414 178.209 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -93.86 17.52 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.508 -177.976 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 36.1 tp -130.24 127.42 39.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.487 174.96 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -132.25 144.57 50.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -175.435 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 30.8 mmtp -118.54 132.05 56.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.847 0.356 . . . . 0.0 110.063 179.161 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' HB ' HD13 ' A' ' 66' ' ' ILE . 83.3 t -127.85 117.98 47.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.685 177.76 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.2 mt -91.98 116.74 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.552 175.797 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.445 ' HE3' HG21 ' A' ' 92' ' ' VAL . 8.3 tpt -84.57 103.84 14.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.91 -176.54 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.95 143.21 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -175.011 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.83 -176.67 38.62 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.213 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -110.51 8.19 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.513 0.673 . . . . 0.0 109.991 -176.738 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.13 -80.85 0.36 Allowed Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.686 -178.286 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.7 46.32 1.29 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.401 -175.713 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 27' ' ' LYS . 34.5 m -86.86 9.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.338 0.589 . . . . 0.0 110.083 175.6 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.562 ' HA2' H5'1 ' A' ' 500' ' ' GNP . . . 55.62 40.7 79.76 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.369 -177.775 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 25' ' ' VAL . 18.6 pttp -82.78 -16.58 47.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.99 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.6 m -77.26 -19.55 56.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 177.234 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -70.39 -50.15 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.938 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.28 -39.82 95.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.16 -176.667 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -69.91 -36.95 75.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -177.932 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -60.29 -49.51 77.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.754 177.567 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' ' 39' ' ' PHE . 45.2 mt-30 -66.25 -35.23 79.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.259 -176.706 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 87.6 t80 -69.13 -37.91 78.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.335 -178.764 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.6 mtm -91.83 -47.93 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.759 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' ' 32' ' ' LEU . 96.4 m-85 -91.93 -1.5 57.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.38 -175.42 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 69.97 2.35 3.86 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.715 0.634 . . . . 0.0 112.394 171.306 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 45.2 mt-10 -131.97 165.91 22.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.021 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.639 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 69.8 t80 -75.74 141.03 42.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.895 0.379 . . . . 0.0 110.597 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.592 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -70.02 123.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.446 0.641 . . . . 0.0 111.331 -179.566 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.62 -47.06 3.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.597 178.532 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -148.82 100.43 3.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.279 176.055 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -163.5 107.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.918 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 mm-40 -116.53 -42.23 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -179.422 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 5.7 Cg_endo -48.31 102.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.735 2.29 . . . . 0.0 113.354 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.52 70.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.826 177.256 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -88.29 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 109.169 170.405 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HD21 ' B' ' 409' ' ' LEU . . . -127.52 15.33 7.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.641 170.365 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.6 m-20 -79.44 80.01 5.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.129 -173.435 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -90.68 167.31 12.61 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.978 177.882 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -136.06 149.27 48.69 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.473 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -95.22 111.96 23.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.861 0.363 . . . . 0.0 110.598 -175.114 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 55.6 tptt -101.6 135.01 43.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -111.46 125.02 53.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.887 0.375 . . . . 0.0 110.289 174.215 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.59 144.9 34.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.655 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.402 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 p -100.36 125.36 54.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.129 0.49 . . . . 0.0 109.959 178.056 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.1 tp -108.97 109.44 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.697 178.572 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 72.83 -46.48 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.256 0.972 . . . . 0.0 112.589 177.797 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.84 -49.34 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.995 -1.097 . . . . 0.0 113.933 -174.275 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -95.34 141.13 29.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 117.79 0.795 . . . . 0.0 111.191 -177.138 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 50.9 mt-10 -75.4 131.28 40.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.353 179.541 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -121.75 145.47 28.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.715 -177.371 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.32 149.37 34.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.054 0.454 . . . . 0.0 110.036 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 173' ' ' MET . 12.2 tt -144.85 131.61 15.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 -176.37 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 43.1 m-20 -101.62 125.82 48.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.428 176.372 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.453 HD13 ' HB ' ' A' ' 17' ' ' VAL . 43.3 mm -107.64 112.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.629 -178.013 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 tp -96.77 104.29 16.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -178.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.95 99.94 12.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.843 176.932 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -86.06 167.24 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.673 -173.236 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.58 129.4 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.068 175.455 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.81 39.76 2.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.215 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -116.75 168.08 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.505 0.193 . . . . 0.0 110.95 -178.19 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HA ' HH21 ' A' ' 79' ' ' ARG . 21.3 mm-40 -70.14 -35.69 74.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.979 -172.462 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.8 m-20 -56.11 -75.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.314 0.578 . . . . 0.0 111.794 -178.609 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.406 ' HB3' HD12 ' A' ' 78' ' ' ILE . 98.0 m-85 -81.27 57.44 3.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.16 -175.159 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.88 -24.22 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.343 0.592 . . . . 0.0 110.225 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -67.16 -10.11 46.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.428 177.765 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 57.0 mt -94.18 -34.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.89 178.837 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.545 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 14.7 ptt180 -92.15 -64.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.384 177.514 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 3.8 m-20 -62.08 -51.43 67.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 111.411 -175.001 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.433 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 10.3 m120 -76.41 -15.3 59.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.554 -172.001 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -91.87 -12.52 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.068 -0.395 . . . . 0.0 111.792 178.888 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.83 -34.41 77.87 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.826 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -47.23 85.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.803 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.733 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 16.7 m -91.25 18.82 6.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -171.875 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 143.38 15.82 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.486 175.512 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.639 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -98.91 -38.77 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.616 0.708 . . . . 0.0 111.368 -179.345 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.91 125.57 8.39 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.013 -174.968 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CE2' ' HE3' ' A' ' 115' ' ' LYS . 97.9 m-85 -121.16 115.73 23.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.789 -179.028 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.8 mt -93.89 111.42 23.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.706 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 107' ' ' PHE . 31.6 tp -92.73 106.34 18.33 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.844 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' A' ' 126' ' ' VAL . 48.3 t -119.36 131.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -171.888 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.473 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 35.8 p90 -144.13 158.83 43.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.474 173.419 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.662 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 1.5 m -83.54 139.34 32.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.855 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.484 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -70.83 8.9 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.468 -178.408 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.4 p -106.56 -0.93 23.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.235 0.541 . . . . 0.0 110.344 173.018 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 94' ' ' SER . 33.8 mt-10 -108.35 101.55 10.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.191 179.557 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -79.58 -28.45 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.38 -48.04 76.98 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -61.41 -30.48 70.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 178.303 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 142' ' ' GLU . 43.5 t80 -66.92 -48.55 68.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.798 175.388 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -35.2 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.125 0.488 . . . . 0.0 110.825 178.998 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 -14.64 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.617 -175.811 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 51.9 p -53.45 -38.57 63.69 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.563 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.95 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.735 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.04 -41.85 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 -178.19 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 91' ' ' LEU . 35.6 m-85 -57.38 -47.22 82.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.628 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -56.85 -54.02 51.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.213 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.28 -39.95 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -176.615 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' A' ' 113' ' ' ARG . 7.4 tp-100 -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.722 -177.716 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.3 mt -65.59 -39.27 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.696 178.26 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.87 -26.13 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 110' ' ' GLN . 69.1 ttt180 -65.15 -36.78 85.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -178.742 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.8 m -90.51 -4.89 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.409 . . . . 0.0 111.33 -178.667 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.9 mttm -124.59 -106.65 0.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.392 -175.991 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.88 -46.7 0.51 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.237 1.015 . . . . 0.0 113.405 178.409 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.42 1.86 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.116 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.08 -163.46 1.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.483 178.525 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.79 -90.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.049 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 33.4 mmtp -143.81 148.24 35.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -175.987 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 33.5 mt -111.92 95.48 29.26 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -177.178 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.639 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 4.2 Cg_exo -78.16 129.82 9.86 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.422 2.748 . . . . 0.0 112.205 179.218 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 89' ' ' PHE . 35.6 mt -119.99 156.53 30.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.544 ' CD1' ' HG2' ' A' ' 153' ' ' GLN . 15.0 tp -150.49 122.29 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 171.085 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.3 t -96.77 122.2 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.014 0.435 . . . . 0.0 110.083 -178.21 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 92' ' ' VAL . 46.2 t -108.16 127.51 64.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.706 -176.635 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 90.65 1.56 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.711 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -88.96 168.94 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.702 -0.293 . . . . 0.0 110.451 -174.649 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 29.3 mmtp 72.47 15.12 5.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 178.715 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 156' ' ' GLU . 23.2 t -61.77 -9.41 6.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.417 0.627 . . . . 0.0 110.655 -179.518 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 158' ' ' SER . 34.2 t70 -63.12 -14.59 50.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.68 177.685 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.6 mt -75.05 -43.54 52.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.205 176.412 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 63.28 -77.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.747 0.819 . . . . 0.0 112.636 177.239 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.59 4.52 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.432 . . . . 0.0 110.978 -172.186 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 75.6 mtt180 -110.08 7.5 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.831 179.307 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -56.36 118.71 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.287 -177.23 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.669 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 51.8 tp60 -92.0 -29.73 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -177.222 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.8 p -109.25 113.75 58.41 Favored Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.568 ' HD2' ' OE2' ' A' ' 142' ' ' GLU . 74.6 Cg_exo -52.11 125.52 17.61 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.637 2.225 . . . . 0.0 111.243 174.372 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.686 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.6 t -54.15 -28.89 18.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.861 -178.018 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.29 -41.48 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.513 -178.565 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.568 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 42.8 mt-10 -57.88 -46.12 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.75 0.786 . . . . 0.0 110.207 178.06 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.38 60.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.436 -1.257 . . . . 0.0 112.106 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' HG12 ' A' ' 140' ' ' VAL . 20.1 mtp180 -63.39 -41.62 98.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.137 0.494 . . . . 0.0 110.462 178.576 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -58.57 -34.45 71.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 176.916 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 48.0 mmtm -69.84 -43.77 71.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.29 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.04 -40.62 77.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.615 -178.698 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.07 -42.79 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.749 -179.53 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.33 -34.11 76.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.747 -178.958 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -87.65 -16.78 33.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.043 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.27 38.07 22.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.266 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.0 m -128.64 177.26 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.472 . . . . 0.0 111.264 -178.595 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.544 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -96.14 147.59 23.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.708 176.257 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.521 ' HE2' HG13 ' A' ' 140' ' ' VAL . 66.2 t80 -132.67 113.57 13.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.073 0.463 . . . . 0.0 109.761 171.221 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 167' ' ' LYS . 2.5 p -137.38 147.59 26.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.399 178.364 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 130' ' ' SER . 43.0 mt-10 -84.81 138.07 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 111.13 -175.205 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.5 m -122.39 140.23 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.483 -178.969 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 131' ' ' ASP . 59.3 p -126.28 132.8 51.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.714 175.574 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.5 -41.17 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.901 0.382 . . . . 0.0 111.605 -174.238 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -67.94 -35.59 78.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.973 -174.561 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.84 -4.97 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.554 176.639 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.442 ' HG2' HE22 ' A' ' 33' ' ' GLN . 51.9 mtm180 52.04 80.64 0.09 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.379 0.671 . . . . 0.0 111.922 -177.274 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.57 122.89 14.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 178.094 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 70.6 22.18 5.14 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.805 0.69 . . . . 0.0 112.246 175.629 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 34.2 t -78.39 -21.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.601 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.95 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.311 -177.662 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HD3' HG11 ' A' ' 155' ' ' VAL . 3.4 ptpp? -58.07 -52.76 64.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.282 -0.872 . . . . 0.0 113.234 -171.892 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.432 HG11 HG13 ' A' ' 126' ' ' VAL . 27.3 m -48.29 -38.16 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.119 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -75.94 -55.44 5.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.09 177.251 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.419 ' HA ' ' SD ' ' A' ' 173' ' ' MET . 49.2 m-85 -61.91 -36.66 81.99 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.717 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.15 -46.88 88.73 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.642 0.258 . . . . 0.0 110.897 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -66.5 -37.27 84.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.325 0.583 . . . . 0.0 109.848 178.164 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.49 ' HG2' HD12 ' A' ' 64' ' ' ILE . 65.5 mtp -60.91 -31.31 70.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.342 178.864 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -70.81 -47.9 56.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.044 178.66 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.48 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -53.51 -36.29 61.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.402 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.671 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 80.3 mt -56.04 -37.9 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 178.514 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 181' ' ' MET . 93.1 mtt180 -71.07 -52.17 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.037 -178.249 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.7 m -57.36 -38.57 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.217 -177.006 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -65.21 -45.92 82.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 178.291 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.8 mmtp -67.64 -28.74 67.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.647 0.261 . . . . 0.0 111.317 -178.693 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.7 mtt -70.76 -34.41 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.113 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.6 m 61.44 -167.95 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.872 175.589 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.479 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 7.3 tp10 -117.71 96.16 5.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.179 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -128.12 3.61 5.84 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -175.264 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.479 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 25.0 pttm . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.93 -0.557 . . . . 0.0 111.194 -178.385 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.352 -0.299 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 18.5 p -56.19 -30.16 61.88 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.03 0.532 . . . . 0.0 112.388 -177.05 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.698 ' CD ' ' H ' ' B' ' 393' ' ' GLU . 2.5 mp0 -52.31 -55.92 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.24 0.616 . . . . 0.0 110.864 -179.143 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m -70.92 -36.15 72.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.772 -177.686 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 48.4 mt-30 -63.23 -34.93 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.108 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.73 76.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.565 177.287 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.67 -39.76 97.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.775 177.547 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.464 HD12 ' HB3' ' B' ' 442' ' ' LYS . 27.1 mm -58.99 -47.78 88.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.817 0.341 . . . . 0.0 110.26 174.869 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.5 mttt -63.94 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 -179.002 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.54 -33.91 77.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 175.684 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' B' ' 439' ' ' LEU . 45.2 mt-10 -75.36 -37.57 60.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.232 175.05 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' B' ' 439' ' ' LEU . 90.2 mt -56.11 -53.71 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.496 174.761 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -28.45 69.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 110.83 -178.886 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 404' ' ' ARG . 20.9 ttt180 -62.37 -45.31 93.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 175.777 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.2 mm-40 -73.29 -31.67 64.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.356 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.93 -41.14 91.14 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.222 176.816 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -64.26 -47.42 79.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.435 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.3 mt -61.62 -49.41 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 -179.179 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 48' ' ' ALA . 14.4 tp -62.15 -40.03 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.849 179.036 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.21 -49.31 72.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.114 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.3 t -61.81 -55.16 32.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 -178.999 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.606 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.6 mm? -57.0 -30.44 64.17 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.097 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.447 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 8.6 m-70 -70.63 -48.62 54.11 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 122.163 -0.336 . . . . 0.0 110.905 175.578 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.24 -52.48 22.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 0.0 111.706 -174.87 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.57 -33.06 72.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.978 -173.586 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' B' ' 425' ' ' LYS . 11.2 mp -81.95 -27.01 33.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.023 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 417' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 50.7 mt-30 -65.17 -23.78 67.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.739 0.304 . . . . 0.0 110.644 178.604 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.22 -21.57 78.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.517 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.11 -14.47 7.0 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.418 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.9 mt -79.51 116.04 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.283 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.572 ' HB2' ' NZ ' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -146.37 136.06 23.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.594 0.712 . . . . 0.0 111.067 -179.929 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.7 t70 -144.42 167.98 21.19 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -177.628 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 423' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.7 mm? -61.24 -39.53 90.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.815 0.34 . . . . 0.0 110.416 -178.971 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 428' ' ' ARG . 17.2 p -59.39 -37.83 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' B' ' 416' ' ' LEU . 44.3 mmtt -67.61 -46.16 73.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.245 0.545 . . . . 0.0 109.78 -176.273 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -67.8 -37.88 82.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.779 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 427' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 48.7 mt-10 -67.79 -45.92 73.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.213 175.687 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.699 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.4 mmt180 -60.45 -45.33 94.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.775 179.277 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.5 mt -56.32 -42.03 76.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.162 0.289 . . . . 0.0 111.53 -179.162 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.733 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 8.0 m95 -68.83 -32.67 72.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.404 177.84 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.942 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 49.5 mt-10 -68.63 -53.02 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.749 179.19 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.5 t -56.77 -34.54 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.379 179.779 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.499 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 0.5 OUTLIER -55.16 -57.39 11.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.396 -1.274 . . . . 0.0 109.577 176.131 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.942 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 18.7 mtp180 -55.44 -46.55 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.74 -179.246 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 432' ' ' VAL . 9.5 mt -67.12 -38.76 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.012 -176.935 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.74 -47.13 85.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -77.85 -34.59 51.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -176.698 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.42 -36.73 84.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.502 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 401' ' ' GLU . 0.2 OUTLIER -63.38 -40.34 96.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.822 177.52 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' B' ' 444' ' ' ARG . 94.4 mttt -61.31 -38.34 86.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.219 176.787 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 441' ' ' ARG . . . . . 0.517 ' C ' ' HD3' ' B' ' 441' ' ' ARG . 1.0 OUTLIER -68.79 -42.66 77.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.775 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -57.48 -33.05 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.911 176.891 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 56.6 tp -68.54 -36.36 78.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.598 176.435 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 440' ' ' LYS . 68.3 mtp180 -82.46 -9.29 59.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -91.42 -16.14 27.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.237 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.629 -179.555 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.562 H5'1 ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 503' ' ' HOH . . . . . 0.599 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -89.57 -38.06 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.617 0.246 . . . . 0.0 111.241 -179.217 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 m -159.24 176.28 12.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -71.21 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 111.377 177.863 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.32 -49.46 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.623 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.21 14.38 1.51 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.858 -1.064 . . . . 0.0 113.871 176.946 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 tp -149.21 128.59 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 111.082 -179.063 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -137.41 149.96 47.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.243 178.939 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 37.8 mmtt -123.54 127.51 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.335 177.307 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 172' ' ' LEU . 16.3 m -128.44 108.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.557 0.694 . . . . 0.0 109.784 174.279 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.12 122.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.723 -176.62 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 92.3 mmm -86.36 111.02 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.856 179.097 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 91' ' ' LEU . 26.6 m -94.87 168.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.498 -177.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.97 31.47 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.172 179.611 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -105.29 12.63 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.386 0.612 . . . . 0.0 109.915 -177.177 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.32 -61.83 0.31 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.853 -179.95 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.06 44.02 1.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.07 -175.769 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 93' ' ' PHE . 48.5 t -89.79 -21.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.298 0.57 . . . . 0.0 110.121 176.538 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.74 63.41 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.871 -177.782 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -121.48 -37.05 2.96 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -173.514 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -67.24 -26.64 66.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.865 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.75 -49.0 33.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.973 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.31 -33.13 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.916 -172.701 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.51 -45.09 88.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.988 0.423 . . . . 0.0 110.727 -179.63 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 40' ' ' VAL . 95.9 mt -64.54 -29.44 70.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.557 ' HB2' HG11 ' A' ' 165' ' ' VAL . 10.2 mm100 -66.83 -49.88 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.456 -178.761 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 89.6 t80 -69.11 -37.9 78.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.967 -179.222 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.3 mtm -74.61 -44.26 51.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.852 -175.802 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -110.23 -91.04 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.466 -176.474 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 171.59 -31.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.367 0.417 . . . . 0.0 110.472 -174.322 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.39 150.96 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -172.979 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -81.19 150.32 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.891 -178.012 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.0 p -64.71 118.45 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 111.297 -178.031 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.82 -49.51 4.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.441 178.12 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.39 108.72 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.514 178.239 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -158.26 106.11 1.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 110.855 -178.507 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.626 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 43.2 mt-10 -91.91 -53.99 0.27 Allowed Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.744 178.407 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 50.0 Cg_exo -53.47 106.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.752 2.301 . . . . 0.0 113.544 -175.182 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -153.42 35.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.229 172.014 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.79 -55.88 3.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.186 -178.135 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.07 27.35 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.368 177.753 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 12.2 m-20 -96.08 100.23 11.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.565 -172.694 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -106.84 148.65 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 171.596 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.471 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 68.6 m-85 -136.88 145.42 44.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.274 0.559 . . . . 0.0 111.765 -175.871 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -102.07 115.85 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.158 -175.068 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 64' ' ' ILE . 46.0 tptt -105.75 132.64 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.344 177.814 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.08 129.47 35.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.285 176.584 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.9 m -137.15 151.88 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.005 175.531 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.0 p -148.16 128.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.044 0.45 . . . . 0.0 110.455 176.934 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -115.37 95.96 5.42 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.445 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 45.1 29.81 0.54 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.252 0.97 . . . . 0.0 113.097 -179.71 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.53 -113.48 0.36 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.343 -1.408 . . . . 0.0 114.621 -175.388 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.4 pt-20 -90.9 146.03 24.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -171.188 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.75 108.39 5.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.37 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.7 t -106.68 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.223 -171.644 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -112.1 118.13 34.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 176.265 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.5 tt -104.5 117.76 50.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.396 176.457 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 21.9 t0 -94.52 124.71 38.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.907 -175.772 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -107.3 112.37 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -173.803 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.3 tp -101.53 113.32 26.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.031 178.704 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.54 85.72 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.404 0.621 . . . . 0.0 110.088 178.311 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 79' ' ' ARG . 25.7 m -62.94 142.74 58.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.588 -176.388 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 131.07 34.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.042 174.144 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.21 64.88 1.94 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.63 -176.548 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -143.71 153.2 42.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -75.65 -12.71 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.501 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -56.67 -71.6 0.09 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.469 0.652 . . . . 0.0 110.446 176.038 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.629 ' H ' HD13 ' A' ' 72' ' ' LEU . 95.2 m-85 -89.65 64.8 6.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.703 -178.228 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.64 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.042 177.611 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.14 -6.56 46.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.768 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.901 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 70.3 mt -109.13 -31.56 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.925 0.393 . . . . 0.0 110.403 178.193 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HA ' ' CG2' ' A' ' 69' ' ' THR . 56.6 ttp180 -92.86 -65.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 111.269 179.864 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.85 -53.71 9.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.564 0.697 . . . . 0.0 110.924 -173.012 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.725 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 14.4 m120 -76.75 -16.97 59.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.683 -170.759 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.901 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -84.59 -14.07 49.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -174.282 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 114' ' ' VAL . 18.1 m-30 -75.07 22.65 0.11 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.93 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 23.9 mmt180 -75.47 -82.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 179.484 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 m -80.19 44.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 112.055 -173.603 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.61 119.25 2.83 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 176.768 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.1 pm0 -90.3 -41.46 11.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.711 0.255 . . . . 0.0 110.781 -179.03 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 87' ' ' GLU . . . -93.9 131.69 10.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.151 -175.031 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -131.18 132.64 44.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.89 0.376 . . . . 0.0 111.409 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 109.64 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 176.807 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.509 HD23 HG21 ' A' ' 20' ' ' VAL . 73.9 mt -84.96 106.67 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.71 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.5 m -110.04 133.41 55.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.968 0.413 . . . . 0.0 111.24 -176.811 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' HA ' HG11 ' A' ' 25' ' ' VAL . 28.0 p90 -143.31 158.42 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.968 176.102 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 p -97.15 129.88 44.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 177.696 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.42 20.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -174.161 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 135' ' ' ARG . 33.5 p -116.5 -31.76 5.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 174.433 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.3 109.67 20.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.704 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -56.78 -44.81 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.627 -175.349 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -14.67 61.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -173.091 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.9 m -72.57 -32.23 65.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.898 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.13 -39.33 60.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.992 174.511 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 m -63.82 -32.08 73.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 176.907 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.32 61.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -175.99 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.5 p -55.14 -41.59 71.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.545 -178.096 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.26 80.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.47 -44.61 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.05 179.052 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.8 m-85 -58.19 -44.72 88.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.111 0.481 . . . . 0.0 109.931 175.962 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -55.52 -53.41 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.068 -178.472 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -64.28 -36.18 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.26 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -59.47 -26.94 65.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.398 178.349 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -79.05 -46.0 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.458 178.033 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.24 -44.77 28.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.846 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -57.89 -33.87 69.2 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.695 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.2 m -85.07 -1.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.617 -177.402 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.7 mtmm -141.24 -85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.916 -178.676 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.32 -62.33 0.32 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.724 0.809 . . . . 0.0 112.858 177.452 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -84.04 31.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.66 0.384 . . . . 0.0 111.672 -172.995 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.579 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 13.4 mm-40 -87.64 -166.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.751 178.199 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.63 -82.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 174.726 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.975 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 31.9 mmmt -149.17 128.28 12.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.499 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 54.3 mt -101.92 110.5 62.38 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.696 0.284 . . . . 0.0 110.841 -178.105 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.603 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.1 Cg_endo -88.02 126.29 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.303 2.669 . . . . 0.0 112.141 177.436 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.8 141.44 48.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.599 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.6 tp -133.42 121.55 22.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.971 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.3 t -89.54 123.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.8 179.874 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.718 ' HB ' HG12 ' A' ' 92' ' ' VAL . 60.8 t -119.08 123.85 72.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 -177.312 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.18 126.78 8.81 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.298 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 4.8 p30 -113.48 165.95 11.98 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.2 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.543 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 35.7 mmtm 73.39 13.94 4.51 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.886 0.741 . . . . 0.0 110.297 -174.595 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 m -68.98 -4.6 17.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.231 0.539 . . . . 0.0 110.519 179.034 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.187 175.334 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.528 ' CD1' HG21 ' A' ' 96' ' ' THR . 84.8 mt -69.41 -61.45 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.655 -179.344 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 65.46 -69.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.765 0.665 . . . . 0.0 111.409 -178.099 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.902 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 8.0 pt-20 -59.96 -29.99 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 0.0 110.979 -178.784 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.902 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.4 mtt180 -102.15 12.93 36.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.316 -173.661 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm105 -61.28 112.95 2.35 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.668 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 96' ' ' THR . 78.8 mt-30 -92.19 -26.04 18.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.361 -174.099 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.9 116.6 56.94 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.103 174.083 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.94 113.48 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.782 2.321 . . . . 0.0 111.385 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.22 -4.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -171.229 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.86 -50.78 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.347 179.182 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.84 -27.35 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 178.5 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.8 88.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 0.0 110.428 177.873 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -68.15 -36.76 80.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.35 175.282 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -62.49 -33.48 74.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.074 178.386 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.9 mmtt -63.67 -30.79 71.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.55 178.767 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.1 -45.78 91.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.043 0.449 . . . . 0.0 110.213 176.151 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.34 -34.78 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.402 179.07 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -37.24 80.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.974 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -97.21 -5.92 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -176.503 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.48 34.38 40.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.428 179.386 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.66 -172.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.29 . . . . 0.0 110.784 -178.871 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.5 pm0 -114.08 151.99 31.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.528 174.834 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 57.9 t80 -123.03 122.03 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.078 176.939 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.19 133.4 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.269 -179.583 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -92.98 129.72 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 0.0 110.404 176.817 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -112.76 134.93 54.03 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.866 -178.7 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.7 m -107.8 124.74 50.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.952 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.428 ' HB3' ' C2 ' ' A' ' 500' ' ' GNP . . . -100.27 -8.77 23.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 -176.308 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -76.57 -47.61 21.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.019 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.2 t -99.83 -5.53 28.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.524 178.326 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 60.74 80.61 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.072 -179.229 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.37 136.96 38.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -177.647 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 69.13 4.55 4.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.095 0.872 . . . . 0.0 111.809 177.559 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.0 t -69.34 -46.14 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.128 -175.9 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.514 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 4.0 m-20 -70.12 -42.41 72.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -177.716 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.31 -44.84 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.269 -170.566 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.4 m -57.39 -33.41 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.041 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.18 -43.84 69.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.722 0.296 . . . . 0.0 110.336 177.592 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -66.89 -41.49 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.859 178.749 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.29 -51.38 69.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.935 179.248 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 17' ' ' VAL . 39.3 tp -66.52 -35.72 80.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -178.108 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 64' ' ' ILE . 60.3 mtm -63.51 -33.35 75.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.164 178.452 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.549 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 21.2 mmt180 -64.77 -37.25 86.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.675 0.274 . . . . 0.0 110.662 177.639 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.475 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 15.1 mt-10 -69.79 -40.9 75.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.721 0.296 . . . . 0.0 110.515 176.197 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.494 HG23 ' HG3' ' A' ' 87' ' ' GLU . 76.1 mt -55.75 -38.85 52.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.463 -178.586 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 16.4 ptt180 -68.73 -45.68 70.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.903 -177.537 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 177' ' ' ARG . 26.3 m -64.29 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.464 -179.674 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.975 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.5 mptt -58.24 -57.34 13.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.659 178.317 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -76.41 -33.79 58.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -174.874 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.02 -25.2 64.37 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.298 177.316 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 29.3 m 63.94 27.97 14.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.71 178.629 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -90.39 136.97 32.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.291 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.4 t30 67.64 86.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.994 0.809 . . . . 0.0 110.961 -178.719 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.942 176.523 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 30.9 m -115.34 36.96 3.7 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 176.152 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 393' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' B' ' 393' ' ' GLU . 3.8 mm-40 -49.16 -62.71 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.949 -174.52 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.538 ' O ' HG12 ' B' ' 398' ' ' ILE . 16.9 m -77.98 -33.13 51.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.788 -177.325 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.18 -27.78 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.998 -178.384 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -55.49 -53.7 53.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.267 174.824 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.7 90.62 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 394' ' ' THR . 13.7 mm -58.89 -54.2 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.041 176.707 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.29 -37.61 78.14 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.909 -177.876 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 41.1 mm-40 -58.19 -47.74 82.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 178.973 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.654 ' HB3' HD21 ' B' ' 439' ' ' LEU . 48.0 mm-40 -71.67 -36.84 70.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.579 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.578 ' HA ' HD23 ' B' ' 439' ' ' LEU . 77.8 mt -53.94 -54.04 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.944 179.703 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 403' ' ' ARG . 11.2 ptp85 -69.78 -28.55 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.398 -178.412 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 74.3 ttt180 -59.02 -52.14 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.852 175.167 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.6 mm-40 -73.73 -27.59 61.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 39.4 mt-10 -59.09 -50.01 75.68 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.259 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.34 -44.57 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.726 178.71 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 412' ' ' LEU . 69.3 mt -61.85 -51.48 68.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.691 -179.058 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.509 ' HG ' ' CE1' ' B' ' 413' ' ' HIS . 36.2 tp -64.56 -35.41 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.836 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -65.12 -41.67 94.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.549 178.655 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -59.77 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.679 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -58.73 -37.83 77.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 175.268 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.509 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 33.0 m170 -62.6 -45.11 94.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.232 177.816 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -77.39 -33.9 55.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.521 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -56.81 -51.86 67.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 53.0 mt -71.84 -26.79 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.228 -177.159 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.47 -17.4 62.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.384 179.39 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -86.19 17.15 39.39 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.674 179.659 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.87 20.22 76.47 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.653 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 40.0 mt -120.15 142.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' B' ' 416' ' ' LEU . 60.1 pttt -149.13 150.63 33.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.345 0.593 . . . . 0.0 111.288 174.32 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.621 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.5 t70 -146.7 160.19 42.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.434 179.798 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.17 -36.14 83.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.358 . . . . 0.0 110.993 -176.004 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 34.8 t -64.52 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.117 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.621 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.8 mmtt -64.21 -52.02 60.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.654 0.74 . . . . 0.0 109.698 -179.715 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.92 -46.0 92.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.128 -1.397 . . . . 0.0 110.985 -175.523 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.24 -48.34 80.38 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.385 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.599 ' O ' HG12 ' B' ' 432' ' ' VAL . 16.3 mmt180 -60.75 -37.04 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.61 178.897 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' B' ' 429' ' ' LEU . 11.2 mt -55.7 -56.2 23.28 Favored 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 123.122 0.264 . . . . 0.0 111.443 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.478 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 78.2 m95 -66.0 -30.39 70.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.578 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 34.4 tt0 -71.67 -56.75 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.935 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.6 p -63.58 -32.79 58.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.122 0.487 . . . . 0.0 110.215 -179.275 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -55.74 -50.95 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.623 175.61 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.578 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 0.8 OUTLIER -67.58 -26.63 66.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.714 -176.887 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.0 mt -75.63 -46.14 37.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.459 176.519 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.52 HD11 ' HE3' ' B' ' 440' ' ' LYS . 3.1 tm? -57.11 -42.63 81.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.156 177.363 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.429 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.6 t -72.63 -34.85 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.311 -178.073 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.41 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.313 0.578 . . . . 0.0 109.762 176.884 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' B' ' 401' ' ' GLU . 2.2 mp -63.22 -44.05 96.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.472 177.607 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' B' ' 436' ' ' LEU . 83.4 mttt -63.43 -34.31 77.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.511 178.286 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.06 -47.06 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 177.083 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -63.27 -31.44 72.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 179.894 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.11 -49.83 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.006 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 444' ' ' ARG . . . . . 0.851 ' HE ' ' HA ' ' B' ' 444' ' ' ARG . 2.8 mmp_? -84.02 -1.89 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.937 0.398 . . . . 0.0 112.047 178.539 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -80.28 -22.76 41.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.777 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.403 178.486 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.428 ' C2 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.971 -0.451 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' CD ' ' H ' ' A' ' 9' ' ' GLN . 5.1 pm0 -78.65 -29.84 45.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.702 0.287 . . . . 0.0 111.432 -177.541 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -96.98 -158.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.16 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 m -76.79 39.54 0.22 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 111.599 -177.66 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 180' ' ' LYS . 1.3 pt? -119.72 9.76 11.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 109.791 176.484 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 1.59 36.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.075 0.941 . . . . 0.0 109.905 175.464 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' ' 16' ' ' LYS . 2.4 pt? -144.28 148.03 34.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.336 175.108 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 176' ' ' ILE . 57.3 m-70 -136.37 136.32 39.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -172.074 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -114.56 115.81 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 176.994 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.22 112.48 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.151 177.917 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 89' ' ' PHE . 56.7 mt -90.87 123.91 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -176.174 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmt -77.28 107.65 9.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.876 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 91' ' ' LEU . 51.4 t -95.0 133.16 36.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.982 0.42 . . . . 0.0 111.266 -172.714 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.04 160.35 27.35 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.714 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -64.85 -40.68 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.297 178.527 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' HA2' ' CA ' ' A' ' 71' ' ' GLY . . . -132.23 -70.04 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.654 175.386 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 69.57 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.253 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 94' ' ' SER . 44.8 t -44.47 -55.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.167 0.587 . . . . 0.0 112.174 -178.918 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.627 ' HA3' ' ND2' ' A' ' 128' ' ' ASN . . . -152.2 16.97 0.79 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.201 177.831 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HE2' ' OD2' ' A' ' 68' ' ' ASP . 19.8 ptmt -63.26 -43.96 96.51 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.964 -0.139 . . . . 0.0 111.259 -176.904 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -65.95 -30.85 71.49 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -177.762 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' HB2' " O3'" ' A' ' 500' ' ' GNP . . . -71.99 -47.06 54.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.104 0.478 . . . . 0.0 110.854 178.49 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.14 -39.34 89.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.469 -177.071 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -67.26 -32.08 72.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.668 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.38 -41.93 88.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.033 175.987 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.562 ' HB2' HG11 ' A' ' 165' ' ' VAL . 88.0 mt-30 -76.03 -15.43 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.654 -177.887 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -72.38 -27.19 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 110.529 175.632 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -107.41 -51.39 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.185 -178.058 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.91 -28.5 15.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.234 -175.326 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.7 t0 62.63 31.14 16.94 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.041 0.924 . . . . 0.0 109.725 -176.576 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 40.9 mt-10 -117.92 156.98 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.554 178.517 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -85.16 150.51 24.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.67 107.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.533 0.682 . . . . 0.0 112.168 -174.275 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.74 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.591 172.381 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.99 121.28 13.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.786 177.345 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -163.64 93.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.246 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.9 tp10 -93.41 -39.37 0.33 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.816 178.85 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 66.2 Cg_exo -40.22 136.95 1.5 Allowed 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 122.26 1.973 . . . . 0.0 111.711 171.4 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.638 HG21 ' O2G' ' A' ' 500' ' ' GNP . 2.9 t 171.24 -10.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.601 -166.734 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' O ' HD13 ' A' ' 78' ' ' ILE . 21.8 mtpp -72.63 -58.95 2.97 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 -171.529 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' B' ' 409' ' ' LEU . . . -126.41 11.51 7.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.741 0.781 . . . . 0.0 109.43 174.889 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -78.31 125.95 30.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.895 -175.876 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 70.1 m -152.67 163.46 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -177.856 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -133.96 139.0 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 0.0 111.803 -171.198 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -95.97 107.01 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.119 170.848 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -97.82 128.62 44.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 36.4 ttpt -107.5 126.85 53.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.282 0.563 . . . . 0.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 m -129.03 143.88 39.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.255 178.33 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 13.9 p -92.08 119.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.573 0.701 . . . . 0.0 110.997 -175.266 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' HG21 ' A' ' 62' ' ' VAL . 53.8 mt -113.81 106.63 14.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.544 179.612 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 73.89 7.96 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.783 172.546 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.46 -32.31 2.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.38 175.748 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.38 140.65 37.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.723 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 54' ' ' LYS . 65.8 mt-10 -76.76 116.56 17.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.476 0.655 . . . . 0.0 109.777 178.053 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 t -107.24 154.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.337 -171.679 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 39.2 mt-30 -112.38 135.52 52.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.048 0.451 . . . . 0.0 111.985 -170.998 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -125.21 127.74 72.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.36 0.6 . . . . 0.0 109.499 171.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 23.2 t0 -101.87 120.56 40.58 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.212 -173.513 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 50' ' ' SER . 36.3 mm -109.12 113.64 44.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.889 -174.867 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' OG ' ' A' ' 50' ' ' SER . 44.3 tp -101.08 127.34 47.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 8.4 t70 -98.98 -177.54 3.66 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.641 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -148.57 141.16 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.102 0.41 . . . . 0.0 112.076 -171.444 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.12 126.0 30.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.323 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.439 ' CA ' ' HA2' ' A' ' 23' ' ' GLY . . . -79.18 62.02 4.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.155 -174.971 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -160.61 156.68 26.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.784 0.326 . . . . 0.0 111.136 -179.679 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.97 -12.06 55.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.615 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.474 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.6 m-20 -53.94 -52.39 60.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.449 0.642 . . . . 0.0 110.447 178.326 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.448 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.9 m-85 -104.07 65.37 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.616 176.576 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.77 -25.42 60.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.206 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.994 ' HA ' ' HB3' ' A' ' 81' ' ' ASN . . . -67.17 -5.85 15.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.15 179.26 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 ' O ' ' A' ' 47' ' ' LYS . 51.4 mt -96.92 -43.03 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.981 179.171 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -93.84 -66.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.565 0.697 . . . . 0.0 110.917 177.989 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.44 -55.99 5.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.582 -168.086 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.994 ' HB3' ' HA ' ' A' ' 77' ' ' ALA . 8.5 t-20 -71.41 -16.14 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.665 -173.115 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -82.0 -20.16 38.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.838 -178.633 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' HB2' HG21 ' A' ' 114' ' ' VAL . 21.5 m-85 -70.09 81.43 0.5 Allowed 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.988 0.423 . . . . 0.0 110.366 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 19.8 mmm180 -145.04 -79.45 0.18 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 179.628 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 m -72.38 -5.0 33.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.867 -176.673 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.46 136.61 15.23 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.436 175.865 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 35.8 tt0 -93.84 -62.49 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 -177.521 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.509 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.8 141.46 18.67 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.533 -175.939 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 18' ' ' ILE . 98.5 m-85 -125.62 127.28 46.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 110.977 179.05 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -103.08 109.68 21.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 20' ' ' VAL . 52.8 mt -91.24 107.82 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.026 -177.458 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.752 HG12 ' HB ' ' A' ' 126' ' ' VAL . 31.5 m -101.91 141.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.0 111.953 -176.033 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -150.6 175.58 11.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.511 174.778 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.45 ' HB2' HG11 ' A' ' 25' ' ' VAL . 47.2 t -118.01 143.84 46.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.319 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.64 -0.84 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.968 179.881 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD13 ' A' ' 132' ' ' LEU . 43.1 p -111.17 -7.68 14.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 174.028 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.26 91.32 3.57 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.937 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -69.38 -22.18 63.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.25 -177.265 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.6 -52.77 64.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.882 177.798 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 66.9 m -71.73 -25.77 62.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.839 178.584 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.44 -45.14 95.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.821 0.343 . . . . 0.0 110.234 176.308 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.231 0.539 . . . . 0.0 110.3 177.111 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.07 -15.31 63.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.117 -177.499 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 45.2 p -58.24 -36.99 74.02 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 178.429 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.39 88.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.265 177.005 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 9.8 tp10 -64.12 -37.44 87.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.948 178.823 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -62.89 -49.21 75.71 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.274 175.522 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -56.48 -50.8 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.131 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.7 -28.76 68.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.821 -178.861 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.8 tp-100 -63.86 -41.3 97.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 178.212 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 107' ' ' PHE . 68.2 mt -61.34 -43.68 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.988 179.555 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -73.23 -21.36 60.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.948 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -78.92 -26.98 43.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 -177.672 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.1 m -107.88 -24.06 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.678 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 25.0 mtpp -110.03 -88.77 0.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.245 -179.406 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.02 -60.93 0.29 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.1 46.03 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.027 0.442 . . . . 0.0 111.591 -173.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 5.6 mm-40 -102.87 -162.4 0.91 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.856 -176.905 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.07 -69.61 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.52 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -144.95 129.3 17.82 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.214 177.654 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 111' ' ' ILE . 68.9 mt -105.69 107.3 59.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 87.2 Cg_endo -90.82 127.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.19 2.593 . . . . 0.0 112.771 176.104 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.7 122.59 42.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.486 -179.231 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 153' ' ' GLN . 10.8 tp -114.2 120.55 40.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.071 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.14 122.41 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.482 -176.837 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.752 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.3 t -108.65 109.86 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.538 -176.948 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.88 112.36 3.7 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.038 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.627 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 64.0 t30 -100.98 172.69 6.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.971 0.385 . . . . 0.0 110.335 -176.027 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 71.09 21.04 4.99 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.664 0.602 . . . . 0.0 111.367 175.337 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.5 m -62.19 -7.7 4.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -179.314 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.02 -18.44 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.879 177.828 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 96' ' ' THR . 72.3 mt -70.33 -73.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.69 -174.709 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 67.18 -65.74 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.458 0.703 . . . . 0.0 111.962 -177.828 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.898 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.4 pt-20 -59.31 -30.79 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.525 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.898 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 84.5 mtt180 -106.41 14.72 26.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.13 -173.69 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -55.24 121.28 8.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 -177.319 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -97.22 -28.34 14.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.02 123.85 27.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.731 176.773 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.1 119.12 5.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.64 2.226 . . . . 0.0 111.234 176.483 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.676 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.4 p -74.22 -13.72 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.702 -173.936 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.09 -49.73 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.23 -20.9 60.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 110.477 178.115 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.87 -33.55 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.122 0.487 . . . . 0.0 110.139 175.845 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 67.7 mtp180 -68.51 -31.89 71.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.364 0.602 . . . . 0.0 109.391 173.348 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 23.0 t -71.91 -36.12 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.098 -176.515 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -52.92 -52.07 59.07 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.533 176.481 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -60.55 -39.1 86.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.99 177.905 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.03 -37.39 87.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.414 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 43.8 mt-10 -64.66 -35.64 81.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.391 . . . . 0.0 110.954 177.416 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -84.55 -4.76 59.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -177.296 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.29 27.92 65.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.434 HG23 ' HB1' ' A' ' 147' ' ' ALA . 32.9 m -120.79 179.9 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 -178.989 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.626 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -101.58 153.59 19.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.466 172.911 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.509 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 52.4 t80 -117.57 120.03 36.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 47.0 t -115.24 125.78 72.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.551 -179.748 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -89.55 126.91 35.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.108 177.456 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.5 p -114.15 129.05 56.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.482 0.658 . . . . 0.0 111.303 -175.231 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.0 m -109.14 127.13 53.92 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.494 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.558 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -106.78 -25.18 11.83 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.456 -172.726 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.36 -40.46 23.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.072 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.0 p -90.54 -13.1 35.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.494 176.733 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 61.1 87.61 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.395 179.555 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.22 128.21 12.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.903 -178.936 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 66.87 18.57 10.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.747 0.655 . . . . 0.0 111.936 175.478 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 33' ' ' GLN . 85.4 t -66.87 -50.08 68.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -178.123 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -76.24 -18.35 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -178.388 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.26 -48.54 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.451 -175.226 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 30.6 m -62.47 -30.95 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.279 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.6 -51.05 15.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.147 -177.868 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 170' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 49.4 m-85 -68.71 -34.4 75.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.146 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.05 -52.3 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.194 -177.118 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.06 -26.63 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.271 0.558 . . . . 0.0 109.918 -179.512 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.418 ' SD ' HD11 ' A' ' 57' ' ' LEU . 7.9 ttm -63.3 -39.81 95.61 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.134 176.869 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 9.1 mmm180 -69.42 -34.35 74.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.388 -176.586 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.4 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 0.0 110.967 177.591 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 15' ' ' HIS . 74.3 mt -63.64 -25.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 111.132 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -59.86 -49.59 77.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.542 179.167 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 4.5 m -59.34 -36.46 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.272 -175.965 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.447 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.6 -51.65 66.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 180' ' ' LYS . 12.7 mmtp -74.47 -19.69 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.662 -175.42 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.6 mtt -83.28 -18.99 37.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.963 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.5 m 66.02 -72.0 0.08 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.718 0.807 . . . . 0.0 112.127 177.584 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 58.46 76.83 0.32 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.338 0.59 . . . . 0.0 111.129 -178.793 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -91.0 -0.83 57.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.551 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.473 -178.668 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.089 -0.405 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 9.3 p -81.64 68.41 7.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.118 0.485 . . . . 0.0 111.273 -178.816 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -96.15 -74.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.772 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.518 ' O ' HG12 ' B' ' 398' ' ' ILE . 3.6 m -67.11 -42.85 83.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -175.995 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.07 -27.58 68.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.792 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -64.32 -49.53 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.122 177.45 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 397' ' ' GLY . . . . . 0.401 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -61.72 -36.73 93.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.699 176.393 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.518 ' O ' HG13 ' B' ' 402' ' ' ILE . 43.5 mm -60.83 -47.93 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.198 . . . . 0.0 110.557 176.347 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -59.68 -33.97 72.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.593 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.1 mt-10 -60.61 -47.35 86.6 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.025 0.441 . . . . 0.0 110.243 176.624 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 19.6 mt-10 -73.25 -35.53 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.976 -178.107 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.578 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.9 mt -56.71 -53.7 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.502 174.549 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.49 -29.42 70.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 -179.021 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.0 ttm180 -60.19 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.254 174.946 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.493 ' HB2' HD23 ' B' ' 436' ' ' LEU . 69.8 mm-40 -72.85 -37.61 67.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.487 -177.567 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 82.7 mt-10 -60.84 -37.65 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.374 179.026 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.85 -47.5 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.806 175.959 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.7 mt -61.5 -46.5 89.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 -179.768 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.534 ' HG ' ' CE1' ' B' ' 413' ' ' HIS . 18.7 tp -61.67 -45.83 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 178.635 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -57.38 -44.51 84.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.937 179.003 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.9 t -60.14 -55.21 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.414 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -53.97 -39.87 66.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 111.136 177.58 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 413' ' ' HIS . . . . . 0.534 ' CE1' ' HG ' ' B' ' 409' ' ' LEU . 22.1 m170 -65.14 -48.31 74.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.832 178.381 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -68.69 -44.21 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.243 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.08 -33.99 72.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.955 0.407 . . . . 0.0 111.613 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.4 mp -66.03 -29.37 69.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.8 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.27 -9.51 56.18 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.973 179.411 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.85 3.69 63.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.115 176.938 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.82 68.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.111 178.256 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.18 119.44 33.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.885 0.374 . . . . 0.0 110.682 -177.895 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -133.42 134.18 43.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 172.405 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.679 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.4 t70 -148.22 162.34 39.67 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.889 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.13 -27.1 69.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.376 0.607 . . . . 0.0 109.618 177.626 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 11.4 m -73.53 -36.14 65.64 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.035 -178.593 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' B' ' 416' ' ' LEU . 0.1 OUTLIER -70.08 -36.39 74.88 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.695 -173.123 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.567 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.5 pt-20 -73.76 -44.84 54.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.468 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.43 -35.19 80.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.94 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.645 ' O ' HG23 ' B' ' 432' ' ' VAL . 22.7 mmt180 -64.14 -44.62 91.59 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.498 175.605 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 10.9 mt -56.5 -53.87 52.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.704 -179.231 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 86.7 m95 -62.86 -31.4 72.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.044 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.29 -54.04 20.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.392 174.683 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 428' ' ' ARG . 21.3 t -56.82 -36.05 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 109.37 178.345 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -56.75 -55.29 36.05 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.475 179.15 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.693 ' HD3' HG13 ' B' ' 435' ' ' ILE . 0.0 OUTLIER -68.78 -26.31 65.14 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.441 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.693 HG13 ' HD3' ' B' ' 434' ' ' ARG . 22.1 mt -72.33 -44.15 63.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 110.058 176.001 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -63.49 -44.22 95.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.477 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.658 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.2 t -69.68 -30.86 68.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.011 0.434 . . . . 0.0 110.077 -178.978 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.693 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.86 -43.69 82.92 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.716 173.757 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 0.872 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.444 -178.996 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -58.9 -39.3 81.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.682 0.753 . . . . 0.0 109.793 175.925 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -65.62 -40.72 92.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.962 178.026 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' B' ' 439' ' ' LEU . 24.3 mtpp -61.44 -32.4 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.331 176.678 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.494 ' HA ' HG21 ' B' ' 398' ' ' ILE . 44.8 tp -59.57 -44.93 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.716 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -83.74 -2.89 57.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 176.662 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' B' B ' 445' ' ' GLU . . . . . 0.663 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 30.5 tt0 -82.2 -31.77 30.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 178.328 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.086 -178.176 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.638 ' O2G' HG21 ' A' ' 46' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -24.77 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.484 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -155.48 177.45 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 53.9 m -79.0 93.84 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.288 0.566 . . . . 0.0 110.571 177.953 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -107.73 -36.59 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 178.877 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.84 8.8 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.468 0.651 . . . . 0.0 110.488 178.361 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 11' ' ' SER . 60.0 tp -139.24 128.92 24.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.977 177.87 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -136.93 152.62 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.107 0.48 . . . . 0.0 111.891 -176.822 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 23.1 mmtp -122.41 112.52 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.396 178.047 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -121.5 129.79 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.731 -176.596 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE2' ' A' ' 89' ' ' PHE . 51.0 mt -107.45 127.91 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.95 -178.046 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.657 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 19.0 mmt -78.58 111.66 14.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.414 173.616 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 HD23 ' A' ' 91' ' ' LEU . 16.9 m -115.34 138.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.114 0.483 . . . . 0.0 111.07 -178.493 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.3 158.14 12.78 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.703 -179.163 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -84.14 122.39 28.77 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.843 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 -93.33 1.3 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.453 -175.693 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' HA2' ' CD ' ' A' ' 27' ' ' LYS . . . 162.01 65.92 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.52 176.511 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.08 -68.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.722 -179.277 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.68 14.11 4.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.395 -179.094 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.863 ' HB3' HG21 ' A' ' 92' ' ' VAL . 11.9 ptmm? -72.41 -11.03 60.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.32 . . . . 0.0 111.491 -175.422 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HB2' ' O2A' ' A' ' 500' ' ' GNP . 21.6 m -109.9 -30.03 8.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 176.796 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.44 -55.08 7.59 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.28 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.6 -31.81 72.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.057 0.456 . . . . 0.0 111.347 -174.745 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.547 HG21 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -64.37 -39.76 94.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.01 -174.349 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.857 HD12 ' HB ' ' A' ' 40' ' ' VAL . 73.3 mt -66.35 -23.16 66.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.653 0.263 . . . . 0.0 111.364 -178.594 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -71.27 -44.2 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.155 0.502 . . . . 0.0 109.915 175.432 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.22 -38.05 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp -70.85 -57.66 4.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.246 -178.878 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 98.7 m-85 -106.06 -80.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -176.993 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.4 t70 157.59 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.297 0.998 . . . . 0.0 108.946 -172.323 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -95.49 153.89 17.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.025 -172.124 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -83.18 150.5 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.242 -175.181 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.857 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.4 p -67.68 123.02 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -92.97 -42.85 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.609 176.364 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.58 137.04 8.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.536 172.341 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.38 94.17 0.97 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.645 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.5 mt-10 -74.45 -58.78 1.75 Allowed Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.06 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.3 Cg_exo -58.84 -91.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.456 2.104 . . . . 0.0 114.036 -170.217 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 40.4 p 50.19 32.39 5.99 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.143 0.577 . . . . 0.0 111.441 -174.235 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 70' ' ' ALA . 37.7 mtmt -87.24 -50.77 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.778 177.02 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.07 27.59 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.228 178.923 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 22.0 m-20 -89.63 111.46 22.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.3 0.571 . . . . 0.0 110.963 -177.424 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' B' ' 433' ' ' GLN . 41.9 t -122.45 140.76 52.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.688 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -135.24 132.7 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.789 0.328 . . . . 0.0 110.292 -177.529 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -95.12 127.58 41.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.75 179.533 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -117.18 133.7 55.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.759 -177.52 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -101.31 122.76 44.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.542 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 53' ' ' LYS . 20.3 m -132.66 144.7 35.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.107 177.483 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.3 p -116.56 103.18 14.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.539 0.685 . . . . 0.0 109.76 177.043 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 ' HE ' ' A' ' 174' ' ' ARG . 2.5 pt? -96.46 98.37 10.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.577 0.703 . . . . 0.0 110.435 -177.968 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 61.19 15.64 6.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.098 174.199 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.37 -85.33 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 118.394 -1.86 . . . . 0.0 115.593 -176.426 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' CD ' HH12 ' A' ' 177' ' ' ARG . 8.3 pt-20 -100.61 148.64 24.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 111.595 -168.595 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.45 105.85 5.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.47 174.57 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 13' ' ' ALA . 8.2 t -106.17 136.17 41.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.593 -175.81 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -113.18 123.79 51.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 -176.848 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 173' ' ' MET . 10.2 tt -122.65 120.07 59.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.836 -175.979 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.3 m-20 -88.3 120.56 29.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.386 176.934 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.547 HG21 HG21 ' A' ' 31' ' ' THR . 47.5 mm -107.15 120.83 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.669 0.271 . . . . 0.0 110.517 -179.334 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.26 115.41 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.428 176.993 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 33.1 t0 -98.95 105.87 18.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.029 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -85.57 152.91 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.266 -174.959 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 47' ' ' LYS . . . -73.89 118.89 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.04 173.146 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.62 62.85 3.47 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.763 -178.224 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -138.62 -172.34 3.28 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.239 0.215 . . . . 0.0 110.623 179.997 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -100.07 -22.69 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.189 0.519 . . . . 0.0 111.036 -176.861 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.52 -65.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.594 -174.181 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 90.6 m-85 -82.54 67.79 8.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 -172.787 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.87 -23.83 65.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.19 179.217 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.56 -29.47 70.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.987 178.838 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 9.8 mt -89.43 -25.01 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.985 -179.137 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -92.04 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.384 -176.072 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.66 -44.94 39.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.901 -173.264 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.571 HD22 ' HA ' ' A' ' 77' ' ' ALA . 93.3 m-20 -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.248 -170.269 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' OH ' HD11 ' B' ' 409' ' ' LEU . 25.9 m-85 -83.1 -11.34 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.491 174.711 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -76.27 77.8 3.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 179.161 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 31.3 ttt-85 -162.66 -62.15 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.023 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -67.3 -23.43 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.559 178.825 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.53 124.02 17.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.831 177.818 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 25.0 mt-10 -85.3 -64.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.144 0.497 . . . . 0.0 110.333 -176.785 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.74 150.57 18.79 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.672 -175.661 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 115' ' ' LYS . 87.9 m-85 -129.13 128.31 43.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 0.0 110.695 -178.961 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.62 110.66 23.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 176.764 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.714 HD12 HG22 ' A' ' 125' ' ' VAL . 78.3 mt -81.92 107.42 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.356 179.27 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.863 HG21 ' HB3' ' A' ' 27' ' ' LYS . 27.2 m -98.23 120.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.557 0.694 . . . . 0.0 111.408 -176.308 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.7 p90 -151.3 166.37 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.974 176.691 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.79 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 12.6 t -118.68 146.49 44.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.931 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.81 -2.04 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.731 -176.752 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.457 ' CG2' HD22 ' A' ' 132' ' ' LEU . 18.8 p -94.28 -28.27 15.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.878 0.371 . . . . 0.0 110.284 171.26 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.1 mm-40 -90.67 95.56 10.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.858 -177.519 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -67.97 -29.53 68.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.571 -176.863 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.78 -39.7 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.33 . . . . 0.0 110.344 179.09 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 93' ' ' PHE . 17.0 m -62.91 -37.54 87.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.377 178.33 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.41 -42.99 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.809 179.856 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.9 m -69.29 -34.15 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 111.253 -179.946 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.94 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.695 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.534 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 67.7 p -61.02 -28.89 69.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -177.63 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.11 80.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.729 -178.696 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.93 -42.36 94.76 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.703 -179.636 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 13.0 m-85 -60.48 -50.58 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.863 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -51.28 -58.41 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.447 -178.532 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.84 -30.35 69.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.462 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.63 -32.67 68.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.014 0.435 . . . . 0.0 110.242 -179.678 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.1 mt -65.76 -47.81 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.782 177.865 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.82 -19.47 65.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.743 -179.321 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -71.06 -41.93 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.637 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.5 m -101.23 -19.97 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.554 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 114' ' ' VAL . 24.5 mtpp -119.4 111.25 17.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.683 0.277 . . . . 0.0 111.432 -175.929 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.51 20.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 110.476 172.82 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CD ' HH21 ' A' ' 84' ' ' ARG . 28.4 mt-10 -105.15 -0.06 26.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.999 -174.475 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 5.3 pt-20 -111.46 -170.82 1.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.477 -169.975 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.45 -75.37 0.05 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.294 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.592 ' HB2' ' CG ' ' A' ' 179' ' ' LYS . 65.6 mmtt -157.09 161.49 39.44 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.386 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mt -109.67 102.84 51.5 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 -177.813 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_endo -88.42 116.62 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.757 2.971 . . . . 0.0 112.638 179.6 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.75 152.39 24.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.301 176.955 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -136.08 120.81 18.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.712 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.714 HG22 HD12 ' A' ' 91' ' ' LEU . 10.7 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.531 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -109.01 116.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -174.366 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.61 101.41 2.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.634 177.295 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.465 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.4 m120 -82.64 143.9 30.67 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 -178.692 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' HD2' ' OD1' ' A' ' 131' ' ' ASP . 23.9 tptm 63.34 71.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.789 0.681 . . . . 0.0 110.24 177.768 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.7 p -97.18 9.4 42.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.388 0.614 . . . . 0.0 109.783 176.437 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.436 ' OD1' ' HD2' ' A' ' 129' ' ' LYS . 4.0 m-20 -67.16 -20.97 65.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.218 -176.91 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.6 OUTLIER -72.11 -47.73 49.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 -179.291 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 62.22 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.378 0.671 . . . . 0.0 112.1 -179.132 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.29 -27.65 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.573 -173.647 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 48.5 mtt180 -84.38 17.54 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 -177.331 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -64.17 114.38 4.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.101 0.476 . . . . 0.0 110.753 -178.076 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -176.894 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.84 112.48 32.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 134.61 53.99 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.784 2.322 . . . . 0.0 112.025 -179.571 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.4 t -58.77 -26.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.823 178.763 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.31 -36.15 68.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -78.79 -40.87 31.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.342 0.591 . . . . 0.0 110.264 178.722 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.203 179.179 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 78.6 mtp180 -65.09 -34.97 79.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.32 178.253 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -59.18 -45.2 91.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.22 176.351 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 65.9 mmtt -66.13 -36.22 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.133 179.633 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.35 80.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.251 0.548 . . . . 0.0 110.17 174.566 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -72.72 -49.29 32.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.545 178.384 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.11 -43.59 91.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.633 -177.452 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -83.06 -25.62 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -176.692 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.71 45.09 5.29 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.18 -179.651 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.9 m -132.85 -174.91 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 -177.691 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.788 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -106.08 156.75 18.11 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 175.785 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.409 ' HE2' HG13 ' A' ' 140' ' ' VAL . 78.3 t80 -128.87 123.26 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.164 178.141 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.426 HG13 ' ND2' ' A' ' 164' ' ' ASN . 96.9 t -132.73 125.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -178.61 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -86.05 144.92 27.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.811 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 p -135.65 130.78 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 111.841 -173.223 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 163' ' ' ALA . 4.7 p -118.29 102.3 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.148 175.804 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.35 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.891 -177.113 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.98 -42.95 36.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 178.042 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 16.6 p -110.41 5.24 21.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.408 -179.519 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 64.01 24.57 13.61 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.097 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.421 ' HB3' ' OG ' ' A' ' 158' ' ' SER . . . -80.91 122.42 27.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.878 -174.018 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.426 ' ND2' HG13 ' A' ' 155' ' ' VAL . 1.0 OUTLIER 66.5 11.45 8.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.169 174.394 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.475 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.4 t -75.63 -37.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 -177.156 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.37 -38.46 84.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.727 -178.342 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.353 -174.736 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -57.77 -32.89 43.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -173.308 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -75.52 -52.57 10.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 179.244 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -69.09 -39.01 79.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.551 -176.057 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.72 -50.05 75.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.203 -177.532 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.0 tp -67.82 -39.04 83.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.811 -177.491 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 64' ' ' ILE . 41.8 mtm -60.91 -34.36 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.592 -179.903 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.827 ' HE ' HD11 ' A' ' 57' ' ' LEU . 7.2 mmt85 -75.97 -38.05 57.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.857 178.389 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.617 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.8 mm-40 -61.25 -35.57 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 176.352 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.534 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 83.6 mt -59.11 -40.63 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 109.96 173.744 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.416 HH12 ' CD ' ' A' ' 60' ' ' GLU . 29.6 mtp180 -68.6 -37.59 79.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 m -55.52 -42.76 74.98 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.408 0.623 . . . . 0.0 110.011 174.474 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.617 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.3 mptt -70.69 -41.45 71.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.534 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 75.1 mmtt -62.56 -33.19 74.44 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.248 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.5 mtt -71.9 -37.93 70.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.476 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 12.9 t 61.19 99.32 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 O-C-N 124.052 0.845 . . . . 0.0 111.987 178.066 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 64.19 47.19 3.32 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.634 0.731 . . . . 0.0 110.747 175.666 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -85.06 83.63 7.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.432 0.634 . . . . 0.0 109.431 177.813 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.514 179.905 . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' B' B ' 392' ' ' SER . . . . . 0.741 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 70.3 m 53.11 52.01 14.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.853 0.358 . . . . 0.0 110.957 -178.683 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -38.64 78.73 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.61 -176.328 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 394' ' ' THR . . . . . 0.54 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.6 m -85.94 -40.16 16.17 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.349 -178.602 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 395' ' ' GLN . . . . . 0.741 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 52.2 mt-30 -60.69 -36.17 78.09 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.11 178.063 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 396' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.05 -55.18 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.952 0.406 . . . . 0.0 110.726 177.475 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.82 95.03 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.233 178.69 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 398' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 394' ' ' THR . 45.5 mm -61.5 -47.69 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 110.714 177.655 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 399' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 56.5 mtpt -63.8 -36.88 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.183 -178.132 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 400' ' ' GLU . . . . . 0.614 ' HG2' HH21 ' B' ' 403' ' ' ARG . 32.6 mt-10 -68.03 -36.06 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.246 176.832 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.98 -39.59 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.96 177.252 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 402' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' B' ' 439' ' ' LEU . 96.6 mt -56.14 -53.15 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.228 174.263 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 403' ' ' ARG . . . . . 0.614 HH21 ' HG2' ' B' ' 400' ' ' GLU . 49.8 mtm180 -55.57 -38.16 69.01 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.032 0.444 . . . . 0.0 110.873 -178.777 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 404' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.3 ttm180 -62.17 -52.09 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.779 -179.756 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 405' ' ' GLN . . . . . 0.414 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -73.0 -27.44 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.61 -177.455 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.52 -54.12 50.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.39 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.69 -41.29 97.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.152 -179.462 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 60.7 mt -60.2 -50.86 72.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 -179.223 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 409' ' ' LEU . . . . . 0.577 HD13 HG13 ' B' ' 432' ' ' VAL . 42.4 tp -70.18 -36.17 74.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.016 178.986 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.45 -47.65 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.421 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.3 t -59.77 -40.98 90.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.004 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 412' ' ' LEU . . . . . 0.765 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 56.6 mt -58.73 -49.69 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 173.739 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -57.29 -48.47 78.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.395 -177.992 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.55 -31.53 69.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -176.697 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.17 -48.2 62.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.621 178.342 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 416' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 23.3 mt -61.61 -42.15 98.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.47 -9.76 28.42 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.442 -178.943 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.48 -10.51 85.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.511 173.7 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.24 16.15 11.63 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.529 178.898 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 420' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 25.2 mt -131.98 117.45 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 O-C-N 122.838 -0.213 . . . . 0.0 111.211 -178.451 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 421' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' B' ' 416' ' ' LEU . 0.0 OUTLIER -135.5 165.14 26.21 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 172.185 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 422' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 20.5 t70 -147.79 154.35 40.37 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.084 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.45 -30.41 68.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 -177.589 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -35.48 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.12 177.647 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 425' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' B' ' 429' ' ' LEU . 20.0 mttt -73.37 -43.94 59.65 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -177.152 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 426' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 429' ' ' LEU . 1.1 mm-40 -57.15 -41.64 79.52 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.086 -177.502 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.586 178.785 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 428' ' ' ARG . . . . . 0.546 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 mmt180 -59.53 -40.97 88.91 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.012 176.269 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 429' ' ' LEU . . . . . 0.669 HD11 HD11 ' B' ' 416' ' ' LEU . 84.1 mt -55.82 -54.87 39.21 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.723 -177.514 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 430' ' ' TRP . . . . . 0.546 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 57.8 m95 -61.31 -41.57 97.21 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.197 0.311 . . . . 0.0 111.745 -178.017 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 431' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 7.9 tp10 -70.65 -53.79 14.43 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.265 -176.145 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 432' ' ' VAL . . . . . 0.634 ' HA ' HD12 ' B' ' 435' ' ' ILE . 12.3 p -60.61 -33.73 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 0.0 110.709 -179.512 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 433' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 50' ' ' SER . 25.9 tp60 -56.29 -53.31 58.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.303 177.766 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 434' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 0.0 OUTLIER -71.04 -26.61 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.505 -179.059 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' B' B ' 435' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' B' ' 432' ' ' VAL . 84.1 mt -66.2 -47.96 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.56 175.588 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 436' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' B' ' 439' ' ' LEU . 49.8 tp -58.1 -40.63 81.67 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.782 0.325 . . . . 0.0 111.692 176.359 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 437' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 434' ' ' ARG . 4.1 t -74.24 -31.6 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 -177.299 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 438' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.91 -37.0 86.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.974 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 439' ' ' LEU . . . . . 1.103 HD23 ' HD3' ' B' ' 442' ' ' LYS . 63.9 mt -62.0 -37.12 83.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.788 176.168 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.25 -38.84 81.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 109.571 175.246 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -66.68 -44.66 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.264 177.851 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 1.103 ' HD3' HD23 ' B' ' 439' ' ' LEU . 53.6 mtpt -58.24 -40.48 81.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.159 178.468 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 443' ' ' LEU . . . . . 0.451 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.5 tp -61.21 -42.93 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.012 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.057 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -90.32 -39.21 12.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.95 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' B' B ' 446' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.294 -176.765 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.437 ' O2A' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -84.79 2.54 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -124.93 124.45 42.07 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.219 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -123.86 138.73 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.661 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ASP . 62.3 mmtt -118.11 116.31 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 66' ' ' ILE . 97.7 t -129.68 121.93 53.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 0.0 111.208 -176.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 89' ' ' PHE . 57.5 mt -105.14 131.75 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.09 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.549 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 44.3 ttm -111.06 118.65 36.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.891 0.376 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.08 162.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.32 -165.76 20.99 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 21.3 t -92.97 4.95 53.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.653 0.74 . . . . 0.0 109.762 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.68 -64.94 0.49 Allowed Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.93 -91.17 1.77 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.1 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG11 HG12 ' A' ' 92' ' ' VAL . 96.8 t 71.23 -51.75 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.415 0.686 . . . . 0.0 111.448 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.03 24.38 0.32 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.55 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.5 pttp -81.25 12.15 3.76 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -106.8 -33.34 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.18 69.14 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.99 -39.81 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.159 0.504 . . . . 0.0 110.707 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -49.88 66.97 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.256 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD22 HG22 ' A' ' 40' ' ' VAL . 10.8 mp -62.52 -35.06 78.2 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 121.288 -0.165 . . . . 0.0 111.204 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.77 -48.93 79.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.597 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -71.17 -14.43 62.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.521 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.571 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 72.0 mtm -106.49 -47.5 3.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.07 -13.18 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.32 23.16 13.66 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.881 0.372 . . . . 0.0 110.646 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -116.0 145.03 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.661 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -84.69 143.19 29.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.672 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 32' ' ' LEU . 45.8 t -68.1 100.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.859 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.96 -59.96 2.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.202 0.525 . . . . 0.0 109.596 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -154.15 102.69 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.284 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.8 93.4 2.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 41.7 tt0 -75.26 -64.0 0.64 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.417 -172.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 38.9 Cg_exo -27.67 -104.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.963 3.775 . . . . 0.0 115.699 -167.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.467 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 51.3 p 43.6 37.01 1.34 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.114 0.566 . . . . 0.0 112.318 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -84.63 -55.08 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' CB ' ' HE1' ' B' ' 413' ' ' HIS . . . -125.44 -9.99 6.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.812 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.93 119.03 15.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.8 m -153.3 156.2 37.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.879 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -124.03 162.96 22.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.545 ' NH1' ' HB3' ' B' ' 434' ' ' ARG . 33.7 mtm180 -104.62 144.49 31.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.202 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 55.6 tptt -106.28 128.83 54.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.939 0.399 . . . . 0.0 111.108 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.26 115.92 26.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.829 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.8 m -126.85 146.2 33.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.29 114.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.335 0.588 . . . . 0.0 110.035 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mp -102.76 100.77 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.551 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 62.99 16.91 9.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.834 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.28 -30.78 2.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 119.62 -1.276 . . . . 0.0 114.136 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.85 129.07 43.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.813 0.807 . . . . 0.0 110.424 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.66 109.53 14.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -106.45 142.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.518 -171.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -113.58 123.71 50.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.293 0.568 . . . . 0.0 111.108 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -108.57 121.21 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.575 0.702 . . . . 0.0 110.009 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.687 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 46.4 t0 -95.66 110.75 22.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.472 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 17' ' ' VAL . 27.7 mm -110.21 142.74 21.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -131.16 117.73 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.491 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.467 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 38.4 t0 -91.3 91.33 8.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.2 p -88.18 144.4 26.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.814 -169.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -69.4 130.62 43.05 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.999 171.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.24 97.64 0.22 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.587 ' HG ' ' N ' ' A' ' 73' ' ' GLU . 2.4 pt? -142.14 -58.26 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.587 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 9.5 tp10 176.08 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.895 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.11 -72.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.743 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.431 ' HB3' HD12 ' A' ' 78' ' ' ILE . 95.6 m-85 -80.26 53.42 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.668 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -18.96 65.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.399 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.712 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -71.58 -10.33 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.479 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 50.6 mt -101.11 -34.37 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.835 0.35 . . . . 0.0 110.07 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 51.4 ttp180 -86.89 -65.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 4.2 m-20 -74.54 -46.67 37.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 -171.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.712 HD22 ' HA ' ' A' ' 77' ' ' ALA . 91.0 m-20 -70.01 -15.96 63.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.884 -174.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 15.2 m-85 -93.32 -9.61 38.28 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 5.1 m-30 -63.14 -22.93 67.19 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.533 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -58.91 -54.62 45.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 111.793 -174.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 2.3 m -91.37 37.97 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.923 0.392 . . . . 0.0 111.936 -169.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.37 122.09 4.29 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.53 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.567 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 32.7 mm-40 -65.22 -74.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.757 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.14 155.87 18.6 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.634 -173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 18' ' ' ILE . 92.6 m-85 -130.03 135.85 48.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.969 0.414 . . . . 0.0 111.092 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.2 mt -106.99 112.89 26.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.929 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 125' ' ' VAL . 48.9 mt -89.47 106.42 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 ' HB ' ' A' ' 126' ' ' VAL . 44.7 t -110.54 117.3 54.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -173.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -138.33 172.9 12.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.34 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -121.22 146.52 46.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.46 5.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.885 HG23 HD22 ' A' ' 132' ' ' LEU . 6.3 p -89.49 -17.64 28.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.0 109.742 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HB2' ' OG ' ' A' ' 100' ' ' SER . 45.0 mt-10 -110.32 106.7 16.17 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.059 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.88 -23.9 59.65 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.66 -48.27 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.839 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 13.4 p -70.58 -24.33 62.75 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.433 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.51 -48.84 75.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 m -65.4 -32.36 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.633 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.29 62.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.56 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.6 p -58.3 -39.43 79.31 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.048 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.79 81.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.544 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.71 -46.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.807 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.01 -44.38 91.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.228 0.537 . . . . 0.0 110.033 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 112' ' ' LEU . 61.8 ttt180 -55.91 -51.25 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.702 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 37.7 mt-10 -69.26 -32.2 71.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.837 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.219 0.533 . . . . 0.0 110.076 174.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.91 -41.35 81.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.78 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.8 mm? -61.96 -33.08 73.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 55.5 mtp180 -70.27 -21.97 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.482 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.6 m -110.21 -17.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.445 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.525 ' HD2' ' OE1' ' A' ' 118' ' ' GLU . 15.5 mtmt -136.42 118.33 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.725 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.26 -31.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.04 4.82 49.07 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.525 ' OE1' ' HD2' ' A' ' 115' ' ' LYS . 11.1 pt-20 -86.73 -169.36 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.568 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -82.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.078 0.236 . . . . 0.0 111.407 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.824 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 12.4 mmmm -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 -175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.1 mt -102.47 104.19 36.37 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.779 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_exo -72.94 120.64 6.75 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.17 2.58 . . . . 0.0 111.918 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 89' ' ' PHE . 77.7 mt -119.61 129.27 54.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.8 tp -130.91 119.75 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.015 0.435 . . . . 0.0 109.866 175.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.492 HG22 HD12 ' A' ' 91' ' ' LEU . 12.6 t -90.3 121.5 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.691 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.595 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -110.29 120.95 62.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.49 -175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.46 115.96 5.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 56.4 t30 -101.42 155.6 17.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.71 ' HB3' HD23 ' A' ' 132' ' ' LEU . 25.3 mmmt 77.09 42.15 0.14 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.024 0.827 . . . . 0.0 112.302 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -70.97 15.08 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.248 0.547 . . . . 0.0 110.868 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 129' ' ' LYS . 3.5 p-10 -103.62 -1.48 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.453 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 96' ' ' THR . 2.7 pp -83.88 -45.65 13.0 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.318 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 132' ' ' LEU . 41.5 tt0 62.2 -77.66 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.806 0.843 . . . . 0.0 112.74 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.14 -16.43 59.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.82 7.16 15.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -60.4 119.43 7.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.303 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.46 -16.82 14.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.3 p -128.93 121.38 20.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 24.3 Cg_exo -63.3 132.85 37.79 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.909 2.406 . . . . 0.0 112.281 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.608 HG12 ' HG3' ' A' ' 144' ' ' ARG . 18.2 t -63.4 -22.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.636 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.5 -47.32 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.029 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 15.7 pt-20 -81.52 -27.56 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.98 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.608 ' HG3' HG12 ' A' ' 140' ' ' VAL . 38.4 mtp180 -70.33 -32.76 70.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.029 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.5 t -63.36 -35.48 80.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.3 mmtt -65.24 -36.87 85.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.877 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.88 -45.58 89.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 0.0 110.014 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.57 -37.58 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.523 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.56 -39.02 86.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.101 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.413 ' HB2' HG22 ' A' ' 152' ' ' VAL . 35.7 m0 -97.55 -5.75 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.53 30.39 60.24 Favored Glycine 0 C--O 1.228 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.16 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 150' ' ' TRP . 29.5 m -120.28 -170.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.764 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -114.82 150.67 35.13 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.29 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.527 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 85.6 t80 -121.15 124.15 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.507 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.67 134.21 66.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.19 130.29 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.033 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -137.62 173.44 11.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.123 0.487 . . . . 0.0 110.852 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.0 t -169.83 135.94 1.5 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.32 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.03 -6.99 58.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.727 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -77.89 -51.72 9.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.511 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -89.94 -17.82 27.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.886 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 61.44 66.43 0.86 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.628 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -130.72 132.73 45.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.31 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 65.93 16.04 10.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.24 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.529 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 90.7 t -71.15 -42.77 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -52.65 -57.52 9.77 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.54 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.24 -33.84 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 51.2 m-85 -74.97 -51.2 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.9 m-85 -66.17 -43.85 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.195 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.64 -49.3 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.775 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 90' ' ' LEU . 45.5 tp -67.21 -39.42 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 16.2 ptp -67.1 -29.58 69.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.742 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 18.4 mmm180 -69.33 -39.16 78.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.284 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.58 -35.34 74.11 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.911 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.27 -32.93 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.916 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -65.56 -43.47 89.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.206 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.4 m -62.8 -37.74 87.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.824 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.3 mptt -68.48 -39.43 81.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.075 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -74.14 -23.98 59.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 175.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.451 -0.407 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -64.51 -28.07 69.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.67 -54.51 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.087 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.61 -35.06 91.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.059 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 442' ' ' LYS . 42.9 mm -65.13 -48.78 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.847 177.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.61 -42.45 92.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.102 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.606 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 7.4 tp10 -68.81 -42.08 77.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' B' ' 443' ' ' LEU . 96.3 mt -55.68 -49.54 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.046 175.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.09 -37.78 75.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.606 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 37.4 ttm180 -63.96 -42.92 97.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.528 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.0 mm-40 -71.12 -38.44 72.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.133 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.04 -41.14 96.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.078 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.29 -48.38 81.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.512 ' HB2' HG21 ' B' ' 432' ' ' VAL . 62.8 mt -56.8 -46.9 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.533 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.482 HD11 ' OH ' ' A' ' 82' ' ' TYR . 12.9 tp -67.96 -46.56 71.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.3 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.38 -48.79 79.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.435 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -59.91 -52.98 63.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.57 ' HB3' HD21 ' B' ' 429' ' ' LEU . 31.2 mt -56.15 -31.2 63.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.023 0.439 . . . . 0.0 111.064 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.453 ' HE1' ' CB ' ' A' ' 48' ' ' ALA . 28.6 m170 -72.52 -48.77 37.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.213 -0.305 . . . . 0.0 111.222 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -68.81 -43.12 76.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 111.032 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.3 -44.76 96.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.469 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.69 HD22 HD11 ' B' ' 429' ' ' LEU . 10.2 mp -75.65 -27.57 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -63.98 -22.01 66.74 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.482 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.61 -2.33 74.97 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.549 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.33 -7.21 51.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.575 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.8 mt -93.62 115.18 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.665 ' HA ' ' HD2' ' B' ' 425' ' ' LYS . 0.0 OUTLIER -146.47 154.4 41.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.136 0.493 . . . . 0.0 109.773 176.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 18.7 t70 -147.62 158.57 44.06 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.431 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 8.5 mp -64.02 -26.82 68.74 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.364 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.9 m -65.48 -36.18 83.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.494 0.664 . . . . 0.0 109.393 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 22.4 mttm -73.91 -45.4 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.54 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 36.9 mt-10 -60.38 -45.49 93.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.018 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -68.15 -41.81 81.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 110.473 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.56 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.6 tpt180 -66.57 -32.9 74.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.69 HD11 HD22 ' B' ' 416' ' ' LEU . 12.4 mt -56.17 -53.05 61.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.595 ' HB3' ' CZ ' ' B' ' 434' ' ' ARG . 25.2 m95 -63.12 -45.53 91.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.622 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.446 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 39.9 tt0 -57.83 -54.77 43.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.76 -175.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.69 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.3 p -64.58 -34.25 68.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 0.0 110.796 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 33.2 tp60 -55.97 -47.79 77.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.595 ' CZ ' ' HB3' ' B' ' 430' ' ' TRP . 27.2 mtt180 -65.66 -28.46 69.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.491 . . . . 0.0 110.545 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' B' ' 432' ' ' VAL . 44.7 mt -75.76 -39.26 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.064 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -58.38 -45.94 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.343 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.4 t -70.56 -32.57 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 110.271 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.71 -36.75 76.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.208 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.3 mm? -63.86 -35.93 82.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.017 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -57.49 -42.93 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.437 0.636 . . . . 0.0 109.746 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.54 89.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.466 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.5 mmmt -58.7 -35.75 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.489 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.631 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -64.01 -47.51 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 444' ' ' ARG . 36.4 mtm180 -82.23 -1.97 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.8 -42.09 20.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.012 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.233 -176.186 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 177' ' ' ARG . 97.3 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.93 7.52 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.5 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 13' ' ' ALA . 3.5 mm? -126.33 125.42 42.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.553 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -135.5 125.31 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -112.32 114.82 27.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.162 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 96.0 t -115.44 129.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 110.922 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -111.65 125.48 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.349 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtt -97.85 117.27 31.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.844 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.49 176.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.266 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.9 -161.83 30.52 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.875 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 p -84.7 -9.59 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.386 0.612 . . . . 0.0 110.437 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.53 -49.32 0.9 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.262 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . . . -89.32 -102.78 1.06 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.855 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t 70.16 -51.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.481 0.712 . . . . 0.0 112.033 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.08 17.48 0.89 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.695 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -60.36 -47.09 87.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.2 m -68.32 -25.15 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.0 111.13 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.8 -49.85 35.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.614 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.459 HG22 HG21 ' A' ' 66' ' ' ILE . 19.0 p -66.37 -35.97 81.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.685 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD23 ' HB ' ' A' ' 40' ' ' VAL . 23.0 tp -76.03 -31.52 58.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.712 HE22 ' HA ' ' A' ' 39' ' ' PHE . 84.4 mm-40 -69.15 -36.79 77.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.24 -2.25 21.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.297 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 39.7 tpp -106.11 -57.71 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -96.31 -105.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.483 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 177.79 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.028 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.13 165.53 12.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.712 ' HA ' HE22 ' A' ' 33' ' ' GLN . 60.3 t80 -76.52 142.3 40.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.898 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' HD23 ' A' ' 32' ' ' LEU . 6.2 p -75.43 133.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.529 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -126.35 -32.91 2.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.207 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -144.97 109.4 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.769 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -166.95 100.73 0.54 Allowed 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.602 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 31.4 mt-10 -91.18 -59.99 0.22 Allowed Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -172.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -74.93 110.3 3.09 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.488 2.125 . . . . 0.0 114.544 -166.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.705 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 42.3 p -145.82 7.13 1.07 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.576 170.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.57 -56.51 13.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.144 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.92 26.92 6.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -135.73 101.03 4.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.689 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.5 p -108.81 167.98 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.856 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.457 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.5 t80 -131.9 104.61 6.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.199 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -84.56 133.63 34.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.314 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -137.04 177.3 7.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -178.009 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 39.7 ttmt -106.53 127.84 53.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.707 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.86 146.72 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.286 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.66 103.76 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.783 0.802 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.99 97.72 9.98 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 36.82 81.27 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.789 1.305 . . . . 0.0 112.648 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.41 -99.66 0.2 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.744 -1.217 . . . . 0.0 113.908 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.6 pt-20 -123.45 163.92 19.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 0.0 111.079 -172.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.619 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 36.1 mt-10 -65.11 111.1 2.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.704 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -109.09 145.35 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.82 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -114.84 134.9 54.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.241 0.543 . . . . 0.0 110.861 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 ' SD ' ' A' ' 173' ' ' MET . 17.6 tt -129.7 142.02 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.082 -173.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -129.53 138.41 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.715 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 31' ' ' THR . 15.2 mm -127.45 127.19 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.415 0.15 . . . . 0.0 111.068 -173.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 115.28 27.65 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.705 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 26.2 t70 -92.82 83.69 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.2 p -80.02 157.05 26.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.711 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 151.33 22.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.8 62.03 0.81 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.078 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -149.12 151.5 34.5 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 122.193 0.197 . . . . 0.0 110.581 -178.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -77.35 -16.33 58.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -49.39 -63.09 1.21 Allowed 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.301 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.476 ' H ' HD13 ' A' ' 72' ' ' LEU . 78.6 m-85 -94.3 74.81 3.94 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.122 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.01 -21.49 66.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.359 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.56 -6.66 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.574 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.3 mt -106.36 -37.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.092 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 1.8 mtm180 -92.34 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.547 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.37 -46.16 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.194 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.786 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.1 m-20 -77.22 -16.15 59.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.842 -175.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.86 6.35 48.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 176.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' A' ' 114' ' ' VAL . 6.5 m-85 -79.88 -159.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.634 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' H ' ' HB3' ' A' ' 83' ' ' PHE . 31.0 mmm180 69.38 -69.45 0.16 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.058 0.543 . . . . 0.0 111.8 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 -14.48 61.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 146.74 37.47 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.927 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -105.27 -71.83 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 110.292 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.68 145.67 17.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.712 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.2 128.69 47.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 111.071 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 124' ' ' LEU . 80.7 mt -104.96 113.28 26.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.482 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.3 106.31 17.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.897 HG12 ' HB ' ' A' ' 126' ' ' VAL . 26.8 m -116.25 134.18 60.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 111.106 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -147.84 154.18 40.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.561 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.3 p -93.11 152.0 19.52 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.851 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.94 -4.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.915 0.388 . . . . 0.0 111.086 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -91.6 4.15 53.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.805 174.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.53 93.16 3.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.942 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -71.78 -29.3 64.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.23 -53.89 31.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 m -60.73 -27.33 67.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.424 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.16 -49.88 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 m -68.13 -28.3 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.286 0.565 . . . . 0.0 110.431 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.95 63.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.124 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 39.8 p -56.11 -37.06 68.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.252 0.549 . . . . 0.0 111.033 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.22 -35.78 74.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.388 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.61 -39.56 80.8 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.41 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.92 -50.26 73.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 111' ' ' ILE . 14.0 ptm180 -63.83 -38.45 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.099 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -67.24 -37.28 83.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 110.651 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.87 -35.58 81.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 109.739 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 86.0 mt -66.42 -51.2 60.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.558 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' HA ' ' H ' ' A' ' 116' ' ' ALA . 8.6 mp -69.75 -20.95 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 113' ' ' ARG . 26.0 ttp85 -61.55 -34.98 76.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 83' ' ' PHE . 19.9 m -104.24 -10.04 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.98 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.697 ' HB3' ' HG3' ' A' ' 118' ' ' GLU . 42.4 mttm -121.55 -87.73 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.027 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.496 ' H ' ' HA ' ' A' ' 112' ' ' LEU . . . 66.15 -74.47 0.06 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.485 0.714 . . . . 0.0 112.091 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.35 42.31 0.94 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.703 0.287 . . . . 0.0 111.423 -173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.697 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 5.2 mm-40 -102.2 -33.1 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' HB3' ' HD2' ' A' ' 120' ' ' LYS . 31.8 t70 75.23 -48.51 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.37 0.668 . . . . 0.0 111.762 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 179' ' ' LYS . 2.5 mptp? -84.1 50.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 -173.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 115' ' ' LYS . 52.4 mt -114.92 90.15 21.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 2.6 Cg_endo -87.25 131.79 3.08 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.173 2.582 . . . . 0.0 111.72 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -117.62 122.87 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 0.0 110.649 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 11.2 tp -119.09 122.75 42.79 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.421 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.6 t -88.57 126.86 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.511 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.897 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -127.44 129.78 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.157 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.07 138.6 13.95 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -136.13 179.54 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.335 0.567 . . . . 0.0 110.704 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 62.98 63.83 0.91 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.423 0.689 . . . . 0.0 111.164 -176.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -82.62 5.32 21.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.6 -30.22 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 112.045 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.646 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -83.37 -58.38 2.86 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.57 -176.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.578 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 40.3 tt0 67.55 -67.48 0.18 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.679 0.791 . . . . 0.0 111.683 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.77 -34.23 77.86 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -86.27 26.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.648 0.737 . . . . 0.0 110.794 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.851 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.4 ttm180 -66.0 113.68 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.099 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -78.15 -40.93 36.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.25 0.548 . . . . 0.0 110.854 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -108.75 124.73 33.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.962 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.3 Cg_exo -56.42 114.42 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.34 2.027 . . . . 0.0 110.762 175.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -69.79 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 110.235 -174.354 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.11 -48.05 83.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.0 pt-20 -77.56 -19.55 55.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.514 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.95 79.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.5 mtp180 -65.4 -35.0 79.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.825 173.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.3 t -63.2 -33.59 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.2 mmtt -66.09 -35.71 81.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 0.0 111.232 176.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.41 98.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.071 0.463 . . . . 0.0 109.78 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.98 -44.79 95.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.955 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -58.54 -41.39 85.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.397 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -91.4 -13.83 31.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.597 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.78 34.43 18.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.296 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.08 -168.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.592 0.234 . . . . 0.0 110.979 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 3.2 pm0 -112.53 157.27 21.34 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.53 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -124.25 125.55 44.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.57 128.58 72.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -86.08 134.77 33.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.561 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.0 p -126.37 134.92 50.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.262 0.553 . . . . 0.0 111.455 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.4 m -113.14 97.66 6.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.332 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.4 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -66.68 -45.35 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.419 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 26.2 p -88.2 -3.59 58.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 61.47 49.04 5.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -117.24 139.25 51.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.573 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 70.18 10.22 7.27 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.847 0.717 . . . . 0.0 111.922 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 33' ' ' GLN . 60.2 t -67.4 -47.59 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.42 -28.63 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.844 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.25 -52.55 64.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.896 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.63 -28.34 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.965 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.02 -56.59 4.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 22.3 m-85 -62.52 -41.12 98.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.509 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.03 -41.7 97.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.427 HD22 ' HG ' ' A' ' 90' ' ' LEU . 34.5 tp -65.83 -38.94 90.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.497 ' SD ' HD12 ' A' ' 64' ' ' ILE . 54.3 mtp -61.09 -31.24 70.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.707 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 1.5 mmt85 -68.82 -45.2 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.629 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 122' ' ' PRO . 13.6 mt-10 -58.14 -39.81 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.325 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.632 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 72.6 mt -56.38 -41.1 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.543 ' HG2' HD22 ' A' ' 12' ' ' LEU . 40.3 mtt180 -61.59 -45.03 95.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.627 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -39.47 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.509 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.747 ' HB3' ' HG3' ' A' ' 120' ' ' LYS . 14.5 mptt -69.88 -31.87 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.8 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 70.3 mmtt -66.36 -51.73 54.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.309 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.321 -176.782 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 121.304 0.573 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 41.8 mt-30 -57.58 -35.78 70.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.749 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.7 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.71 -43.98 98.18 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.708 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 402' ' ' ILE . 23.9 mm -56.36 -51.93 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' B' ' 402' ' ' ILE . 8.7 mtpm? -62.1 -40.3 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -176.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 1.4 mm-40 -65.28 -30.58 71.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.2 mt -58.31 -50.35 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.573 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 25.0 mmt180 -63.03 -33.06 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 177.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 72.0 ttt180 -60.61 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.54 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.432 ' HB2' HD13 ' B' ' 436' ' ' LEU . 72.7 mm-40 -69.46 -36.27 76.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 47.7 mt-10 -59.69 -44.57 93.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.07 175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.6 -45.59 92.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.5 mt -58.31 -51.42 69.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' B' ' 413' ' ' HIS . 23.7 tp -58.97 -48.58 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.774 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -55.77 -39.57 71.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.722 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -58.79 -53.48 57.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.414 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 5.7 mp -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.519 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' B' ' 409' ' ' LEU . 0.3 OUTLIER -57.79 -43.85 85.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.63 -39.95 50.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.03 -49.96 63.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.401 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 64.2 mt -62.84 -24.55 67.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.538 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.73 -17.16 54.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 111.386 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.13 -2.94 84.39 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.655 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.77 -18.78 34.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.141 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.6 mt -75.17 126.32 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -153.95 154.08 33.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.457 0.646 . . . . 0.0 110.336 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.691 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 20.8 t70 -148.01 162.91 38.4 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.96 0.409 . . . . 0.0 110.656 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.7 m -66.44 -32.15 73.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 43.1 mmtt -73.87 -49.42 25.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.229 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.98 -43.12 91.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.307 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.75 -34.88 79.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.689 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.9 tpt180 -65.51 -47.35 76.26 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 8.5 mp -56.4 -49.66 73.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 16' ' ' LYS . 65.5 m95 -57.39 -32.08 66.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.875 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 434' ' ' ARG . 9.3 tp10 -68.97 -54.25 16.32 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.213 0.32 . . . . 0.0 110.898 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.6 t -65.8 -38.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 110.584 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -56.52 -49.61 74.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.393 1.092 . . . . 0.0 109.514 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 431' ' ' GLU . 6.1 ttt180 -56.65 -45.78 81.41 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.063 -1.88 . . . . 0.0 111.671 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' B' ' 432' ' ' VAL . 26.8 mt -65.18 -49.41 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' B' ' 405' ' ' GLN . 38.7 tp -58.43 -42.42 87.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.457 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.7 t -70.34 -42.36 71.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.8 0.333 . . . . 0.0 111.012 -175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.94 -35.37 80.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.388 0.614 . . . . 0.0 109.89 176.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.25 -32.8 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.069 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.99 -36.65 85.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.971 0.415 . . . . 0.0 110.276 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 0.6 OUTLIER -66.86 -40.04 87.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -57.37 -35.41 69.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.164 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.52 ' HA ' HG21 ' B' ' 398' ' ' ILE . 2.6 tm? -63.26 -50.39 70.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.328 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -74.54 -12.38 60.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.734 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -79.8 -16.71 54.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 109.677 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.444 179.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.384 0 CA-C-O 120.97 0.414 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -93.96 14.08 20.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 33.0 tp -119.61 115.33 23.75 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -125.8 142.93 51.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.775 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 31.3 mmtp -119.23 116.6 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.12 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.488 ' HB ' HD13 ' A' ' 66' ' ' ILE . 57.3 t -123.49 113.02 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.0 110.426 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.684 HG12 HD12 ' A' ' 67' ' ' LEU . 56.5 mt -101.65 127.31 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.789 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.499 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 38.5 mtt -95.9 110.07 22.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.422 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -95.3 145.97 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 163.7 -170.67 39.12 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.549 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 4.1 p -84.6 -24.31 29.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.555 0.693 . . . . 0.0 110.172 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.46 -41.64 1.34 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.925 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -122.67 4.88 Favored Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 93' ' ' PHE . 60.9 t 68.31 -52.13 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.544 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.65 32.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 20.4 ttpp -86.72 -63.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.271 . . . . 0.0 111.221 -172.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -64.75 -16.6 63.2 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.14 74.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.81 -37.32 76.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -61.62 -53.99 48.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.509 -176.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.06 -31.37 71.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.525 0.202 . . . . 0.0 111.199 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 63.3 mm-40 -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.576 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 67.8 t80 -73.66 -33.18 64.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.247 0.546 . . . . 0.0 110.374 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.4 mtp -75.92 -62.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.001 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -119.42 -2.65 10.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 37.2 t70 69.78 16.69 7.81 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.43 145.74 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.733 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.1 148.57 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.46 105.74 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.98 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.5 -40.49 9.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -160.47 101.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.264 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -155.75 114.69 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.736 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 31.4 tt0 -96.5 -59.62 0.17 Allowed Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 11.6 Cg_endo -52.45 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.158 2.572 . . . . 0.0 114.819 -166.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -153.96 65.14 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.368 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -86.33 -59.72 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 109.722 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.13 7.01 6.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.877 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.15 112.74 1.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.974 -171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 1.3 m -104.37 149.07 25.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.863 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.76 112.05 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.319 0.581 . . . . 0.0 111.071 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -75.53 107.09 7.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -100.92 130.03 46.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.034 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -86.9 112.54 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 53' ' ' LYS . 18.6 m -134.56 153.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.78 136.74 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.726 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.62 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -120.25 96.76 5.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 46.58 75.5 0.12 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.21 -132.13 2.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.497 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 pt-20 -95.63 157.53 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.262 0.225 . . . . 0.0 110.641 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.47 111.37 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 60' ' ' GLU . 92.1 t -106.41 141.36 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 -172.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -113.47 117.88 32.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.858 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.5 tt -109.74 125.1 66.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.941 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -107.46 135.48 48.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 HG23 ' A' ' 31' ' ' THR . 42.5 mm -118.32 126.24 74.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.471 -172.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 HG12 ' A' ' 18' ' ' ILE . 33.7 mt -98.55 103.97 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.53 80.22 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.9 p -76.52 159.95 29.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.424 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 125.0 35.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.546 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -86.05 66.52 3.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.181 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -132.74 -178.31 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.596 0.236 . . . . 0.0 110.736 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -103.06 0.32 31.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.7 m-20 -74.6 -73.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.612 . . . . 0.0 111.306 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.44 ' CB ' HD12 ' A' ' 78' ' ' ILE . 76.6 m-85 -79.82 71.19 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.022 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.56 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.41 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.69 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -65.0 -23.1 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.186 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 75' ' ' TYR . 63.0 mt -95.06 -15.85 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.416 0.627 . . . . 0.0 110.181 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -91.61 -63.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.989 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.66 -57.25 4.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.27 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.732 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 37.8 m-20 -71.03 -36.09 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.12 -169.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -31.64 70.29 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 9.1 m-30 -65.63 -27.26 68.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 2.1 tmm_? -60.61 -30.27 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 41.9 m -104.12 19.27 20.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.197 0.522 . . . . 0.0 111.175 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -98.24 -164.99 31.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.832 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.52 ' OE2' HG23 ' A' ' 176' ' ' ILE . 79.1 tt0 -155.96 -75.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.055 0.427 . . . . 0.0 110.899 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.609 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -89.81 151.16 21.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.523 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' HG ' ' A' ' 123' ' ' LEU . 88.5 m-85 -134.76 134.46 40.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.0 0.429 . . . . 0.0 111.484 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 mt -103.78 125.1 50.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.538 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -97.21 107.64 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.175 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.02 132.78 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.977 0.418 . . . . 0.0 110.849 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.628 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.1 p90 -153.51 165.19 36.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.917 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -116.39 138.81 51.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.09 3.62 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.86 0.362 . . . . 0.0 111.682 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.527 HG23 HD13 ' A' ' 132' ' ' LEU . 2.2 p -94.56 -10.6 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.113 0.482 . . . . 0.0 109.73 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.91 108.91 14.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.859 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -68.16 -24.16 64.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.88 -57.64 11.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.993 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 p -70.27 -24.16 63.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -64.32 -48.06 77.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.461 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 m -65.76 -31.02 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.159 0.504 . . . . 0.0 110.773 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.18 68.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.12 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 68.3 p -55.8 -39.48 71.36 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.792 0.33 . . . . 0.0 111.177 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.17 85.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.323 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.51 -43.16 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.559 ' O ' HG13 ' A' ' 111' ' ' ILE . 24.2 m-85 -57.44 -51.41 69.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -74.16 -33.73 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.72 -174.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.15 -37.53 75.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.941 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.0 -30.66 71.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.186 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 108' ' ' ARG . 85.3 mt -63.11 -50.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.126 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.44 -22.14 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -68.08 -46.21 71.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.964 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -87.44 -20.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.702 ' HG3' HG23 ' A' ' 114' ' ' VAL . 44.1 mtmt -127.82 -102.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.24 -42.77 0.47 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.775 0.83 . . . . 0.0 112.761 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.21 34.6 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.41 ' CD ' ' HD2' ' A' ' 115' ' ' LYS . 55.0 mt-10 -97.98 -96.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.816 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -143.74 -72.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 72.9 mmtt -152.42 113.65 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG21 ' A' ' 111' ' ' ILE . 70.5 mt -89.91 108.0 22.91 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-O 120.9 0.381 . . . . 0.0 110.378 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 57.4 Cg_endo -91.13 129.49 1.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.335 2.69 . . . . 0.0 112.474 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 89' ' ' PHE . 5.7 mp -124.99 164.86 19.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -150.16 120.28 7.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.237 175.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 6.9 t -88.6 124.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.228 0.537 . . . . 0.0 109.57 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.1 t -113.95 111.99 38.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.508 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.76 112.38 3.7 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.08 163.64 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.099 0.449 . . . . 0.0 109.837 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.594 ' HB3' HD23 ' A' ' 132' ' ' LEU . 1.2 mptm? 64.17 75.11 0.39 Allowed 'General case' 0 C--O 1.224 -0.26 0 O-C-N 123.698 0.624 . . . . 0.0 112.053 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.4 m -96.03 -2.52 46.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.372 0.606 . . . . 0.0 109.389 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -78.94 -3.31 44.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.846 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.594 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.07 -45.11 9.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 58.52 -78.97 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.136 0.974 . . . . 0.0 112.96 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.35 -14.22 62.72 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.657 0.383 . . . . 0.0 111.941 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 92.4 mtt180 -93.72 11.82 27.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.122 -177.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.685 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 48.7 ttp180 -65.91 113.43 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -94.19 -33.19 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.278 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 3.4 p -101.93 125.81 35.72 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.226 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 50.5 Cg_exo -56.69 110.54 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.734 2.289 . . . . 0.0 111.946 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -67.98 -16.61 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.72 -52.75 63.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.491 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 7.7 pt-20 -74.85 -23.34 58.41 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.089 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 146' ' ' LYS . . . -65.1 -33.51 76.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 110.266 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.2 mtp180 -70.46 -39.29 74.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.685 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 m -60.74 -31.17 70.5 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.641 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 69.9 mmtt -60.07 -47.39 86.07 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.44 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.997 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.29 -48.01 81.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.436 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.75 -42.24 95.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.63 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -76.66 -23.76 53.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.82 40.73 6.59 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.191 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 123' ' ' LEU . 14.1 m -134.79 -170.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.423 . . . . 0.0 110.932 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.756 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -111.19 158.73 18.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.554 176.477 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -126.03 120.18 29.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.82 127.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.745 0.307 . . . . 0.0 110.813 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.53 127.85 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 58.5 p -136.18 171.38 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 111.195 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.9 m -153.31 106.31 2.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.597 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.57 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.653 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -62.11 -36.44 81.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.77 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.7 p -103.29 3.49 35.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 59.41 32.47 21.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.587 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.05 116.72 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.505 -175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.28 17.54 10.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.801 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.45 -38.15 80.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.234 0.54 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.73 -28.22 62.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.559 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 63.8 tttm -60.64 -54.08 49.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.519 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.87 -32.82 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -170.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -70.58 -52.88 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.896 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -68.71 -31.72 71.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 3.0 t70 -62.41 -51.66 66.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.69 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 88' ' ' GLY . 7.3 tt -68.44 -34.63 76.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.305 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.633 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.9 mtm -63.28 -30.49 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.41 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 19.5 mmm180 -66.03 -44.35 84.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.83 -39.35 74.06 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.322 0.582 . . . . 0.0 111.164 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.6 mt -60.17 -26.18 35.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.696 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.406 ' HD2' ' NH1' ' A' ' 174' ' ' ARG . 77.4 mtt180 -71.16 -52.16 20.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.9 m -60.99 -38.72 86.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.382 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -54.74 -54.06 46.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.232 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -72.13 -28.61 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.948 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 172.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.125 0.488 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -62.01 -27.59 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -61.77 -50.88 70.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.475 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.05 88.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.921 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.547 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -64.18 -52.44 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -60.41 -41.77 94.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.665 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.2 mt-10 -62.34 -41.4 98.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.448 . . . . 0.0 110.55 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.438 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 17.3 tp10 -70.51 -34.16 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 398' ' ' ILE . 91.5 mt -58.2 -49.4 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.5 -36.5 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.1 ttm180 -65.77 -48.32 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.446 ' HB2' HD13 ' B' ' 436' ' ' LEU . 89.1 mm-40 -68.2 -34.86 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.562 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.78 -42.06 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.974 173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -67.37 -44.63 78.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.2 mt -57.48 -51.42 69.53 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.147 0.498 . . . . 0.0 110.274 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.45 ' N ' HG11 ' B' ' 432' ' ' VAL . 30.2 tp -65.54 -36.63 84.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.417 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -65.46 -39.81 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 33.8 t -59.78 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.87 -38.34 75.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.918 175.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.03 -48.47 79.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.212 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -75.35 -44.44 45.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.051 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.97 -48.64 79.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.559 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.732 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.3 mp -74.55 -26.42 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.667 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.15 -23.6 62.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.18 -3.17 81.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.112 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.35 22.54 14.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 65.0 mt -126.4 115.68 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.529 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 21.2 pttp -133.08 164.18 27.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.173 0.511 . . . . 0.0 110.475 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.676 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.4 t70 -147.25 164.0 34.58 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.57 -35.65 78.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.905 0.384 . . . . 0.0 110.651 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.6 m -63.92 -34.14 77.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.151 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.5 mmtt -70.63 -50.51 36.15 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.833 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.54 -47.17 85.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.236 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 90.2 mt-10 -64.16 -48.04 77.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.626 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.745 ' O ' HG23 ' B' ' 432' ' ' VAL . 17.9 mmt180 -61.94 -36.7 82.19 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.873 -0.149 . . . . 0.0 111.028 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 429' ' ' LEU . 7.5 mt -55.93 -46.28 78.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.606 0.241 . . . . 0.0 111.297 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.723 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 11.6 m95 -65.17 -43.46 91.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.587 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.775 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 5.0 mm-40 -57.17 -50.46 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.132 0.27 . . . . 0.0 111.269 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 428' ' ' ARG . 18.0 t -60.36 -43.44 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 CA-C-O 121.469 0.652 . . . . 0.0 110.1 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.487 ' NE2' ' HB ' ' B' ' 437' ' ' THR . 36.0 tp60 -56.86 -48.22 78.61 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.67 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.775 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 43.0 mtp180 -55.77 -42.61 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.008 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 432' ' ' VAL . 25.7 mt -65.43 -52.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.672 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' B' ' 405' ' ' GLN . 28.5 tp -57.34 -43.26 83.26 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.487 ' HB ' ' NE2' ' B' ' 433' ' ' GLN . 14.5 t -72.29 -39.6 68.19 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.036 -0.415 . . . . 0.0 111.348 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.4 78.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 402' ' ' ILE . 35.0 tp -67.96 -34.95 77.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.794 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.52 -41.92 86.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.497 0.665 . . . . 0.0 109.414 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -68.75 -40.85 79.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.104 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 30.3 mmmt -58.34 -32.48 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.32 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.464 ' HA ' HG21 ' B' ' 398' ' ' ILE . 59.9 tp -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.164 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 0.2 OUTLIER -81.94 -4.84 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.194 177.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.7 tp10 -86.03 -36.17 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.962 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 178.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.99 7.51 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 110.261 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -134.25 124.4 25.85 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.828 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -124.22 137.65 54.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.915 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.667 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 1.3 tppt? -114.52 107.17 15.17 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.587 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.12 130.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.333 0.587 . . . . 0.0 111.113 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' HZ2' ' B' ' 430' ' ' TRP . 65.2 mt -117.08 113.3 42.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 178.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.5 ttm -93.07 118.28 31.02 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -105.89 170.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.442 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.8 169.55 42.69 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 t -74.15 -25.83 59.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.021 0.41 . . . . 0.0 110.217 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.77 -63.07 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -149.05 -63.61 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.307 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t 70.55 -59.58 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.644 0.778 . . . . 0.0 111.03 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.69 32.65 0.02 OUTLIER Glycine 0 C--N 1.315 -0.604 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.435 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' HG21 ' A' ' 92' ' ' VAL . 34.5 mtmt -62.55 -47.34 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 0.0 111.398 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -63.12 -18.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.834 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.642 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.33 -51.98 21.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.928 0.394 . . . . 0.0 110.534 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.34 -36.21 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.446 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' MET . 68.4 p -72.3 -40.36 67.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.938 -177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 ' HB ' ' A' ' 40' ' ' VAL . 32.5 tp -65.03 -36.15 83.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.829 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.7 mm100 -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.101 0.476 . . . . 0.0 109.774 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -69.55 -23.97 63.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.782 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' THR . 66.8 mtp -82.33 -57.33 3.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.181 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 73.5 m-85 -112.32 -4.25 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 30.6 t70 74.16 -16.05 0.55 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.813 0.445 . . . . 0.0 112.197 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.32 156.41 16.45 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.082 -0.386 . . . . 0.0 110.388 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -78.82 135.9 37.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.096 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.962 ' HB ' HD23 ' A' ' 32' ' ' LEU . 4.2 p -73.12 127.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.098 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -100.7 -42.97 6.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.89 126.86 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.327 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -175.59 116.05 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.894 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 mm-40 -120.8 -48.23 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.894 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 9.1 Cg_endo -49.61 97.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.766 2.311 . . . . 0.0 113.414 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.602 ' HA ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -149.5 47.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.324 176.147 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' HG21 ' A' ' 78' ' ' ILE . 56.8 mtpt -79.51 -56.44 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.19 24.46 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.71 0.767 . . . . 0.0 109.218 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.6 t0 -96.15 116.69 29.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.603 -175.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -125.2 159.45 31.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.537 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.633 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 55.6 m-85 -132.69 144.55 50.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.594 0.712 . . . . 0.0 112.68 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -103.26 109.82 21.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.088 -1.414 . . . . 0.0 109.808 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -106.01 139.6 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.963 0.411 . . . . 0.0 110.934 -176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 37.6 ttmt -111.14 126.74 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.9 m -138.81 162.87 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -133.93 126.31 50.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.407 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -112.72 98.22 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.481 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 45.29 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.45 1.094 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.33 -107.87 0.47 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.858 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.3 pt-20 -119.73 157.18 29.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 86.9 mt-10 -59.88 125.86 25.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.335 0.588 . . . . 0.0 111.265 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.6 t -108.41 148.07 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.637 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -113.96 148.11 37.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 111.251 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -148.57 123.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.088 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.667 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 37.1 m-20 -95.58 131.08 42.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.05 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.56 116.73 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.91 125.31 48.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -104.7 104.46 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 p -78.43 138.43 38.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 111.54 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.44 63.41 4.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.366 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -124.96 2.68 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 76.2 -45.7 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.775 0.83 . . . . 0.0 112.133 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB2' HD13 ' A' ' 72' ' ' LEU . 1.5 m-20 -46.68 -65.93 0.48 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HB3' HD12 ' A' ' 78' ' ' ILE . 96.5 m-85 -78.78 59.56 2.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.209 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.7 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.776 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.626 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.91 -24.7 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.193 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 51.6 mt -97.79 -28.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -92.99 -65.85 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.53 -49.37 33.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.939 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.626 HD22 ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -74.34 -18.3 60.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.171 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -86.86 -21.42 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 122.372 -0.205 . . . . 0.0 111.324 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.8 m-30 -58.57 -20.53 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.744 0.307 . . . . 0.0 111.625 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -56.71 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.68 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.5 m -84.59 26.34 0.81 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.0 138.85 14.11 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.18 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 65.9 mt-10 -81.22 -74.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.714 0.293 . . . . 0.0 111.246 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.507 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -102.48 151.24 18.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.816 -173.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -126.76 129.94 49.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.944 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -106.02 125.51 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 123' ' ' LEU . 59.1 mt -100.84 108.14 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.99 HG12 ' HB ' ' A' ' 126' ' ' VAL . 34.9 m -119.47 137.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.058 0.456 . . . . 0.0 110.85 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -151.91 169.61 21.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 23.0 t -110.44 144.69 38.85 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.79 -10.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.962 HG23 HD13 ' A' ' 132' ' ' LEU . 20.5 p -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 10.1 mm-40 -81.61 87.08 6.29 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.212 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.38 -24.58 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.189 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.67 -28.94 67.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.039 0.447 . . . . 0.0 110.638 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.5 m -69.11 -23.14 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.976 0.417 . . . . 0.0 110.347 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -76.94 -31.81 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -62.84 -39.4 94.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.258 0.551 . . . . 0.0 110.747 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.6 60.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.616 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 48.1 p -55.95 -42.08 75.66 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.555 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.88 68.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.71 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.62 -29.65 66.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -60.67 -38.66 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.557 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -58.93 -58.77 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.681 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.687 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 4.8 pt-20 -61.83 -33.4 74.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.201 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.52 -41.33 98.49 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.98 0.419 . . . . 0.0 110.386 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 107' ' ' PHE . 79.5 mt -68.18 -42.05 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.241 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -68.25 -16.48 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 86.2 mtt180 -69.36 -31.23 69.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.981 0.419 . . . . 0.0 110.446 175.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG21 ' CB ' ' A' ' 83' ' ' PHE . 18.9 m -102.95 -27.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.045 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 26.4 mtmm -143.46 104.33 4.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.495 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.36 -36.25 3.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.285 0.565 . . . . 0.0 109.539 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.97 64.5 2.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -107.53 -167.3 1.24 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.819 -171.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 18.5 m-20 -82.96 -87.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB3' ' HG3' ' A' ' 179' ' ' LYS . 2.9 mptp? -144.44 94.02 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.242 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 118' ' ' GLU . 71.7 mt -66.28 112.33 8.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 0.0 110.982 175.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.1 Cg_endo -95.29 121.09 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.812 3.008 . . . . 0.0 112.19 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -110.95 151.79 27.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.574 ' CD1' ' HG3' ' A' ' 153' ' ' GLN . 3.2 tp -150.24 121.97 8.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.556 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.8 t -92.77 118.85 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.99 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -114.57 125.45 71.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.689 -176.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.41 110.49 3.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.542 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 94' ' ' SER . 52.2 t30 -107.0 150.59 26.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' O ' HD11 ' A' ' 132' ' ' LEU . 30.9 mmtp 57.74 81.15 0.15 Allowed 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.621 0.575 . . . . 0.0 109.582 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.2 p -118.73 9.17 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.446 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.65 8.28 10.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.489 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -124.1 54.65 1.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.762 -178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.8 -31.52 71.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.344 -174.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.44 -17.48 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.705 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -95.96 2.35 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.314 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 136' ' ' ARG . 39.2 ttm180 -59.54 114.29 2.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.854 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -98.3 -18.44 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.653 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.93 109.78 60.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.301 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.67 119.96 7.42 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.06 1.84 . . . . 0.0 110.265 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.505 HG13 ' HE2' ' A' ' 154' ' ' TYR . 10.0 t -57.0 -24.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.978 0.418 . . . . 0.0 110.466 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.27 -54.81 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.405 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.16 -23.79 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.527 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.33 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.2 0.524 . . . . 0.0 110.018 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.452 ' CD ' HG12 ' A' ' 140' ' ' VAL . 53.3 mtp180 -69.01 -36.67 78.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.187 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -58.16 -45.19 87.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.523 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.1 mmtt -61.77 -41.58 97.88 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.089 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.13 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.26 -40.78 90.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.581 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.94 -36.25 80.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -87.73 -12.22 45.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.16 35.43 27.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.95 -177.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.907 0.384 . . . . 0.0 111.719 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 124' ' ' LEU . 7.0 pt20 -104.51 141.47 36.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.994 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.4 t80 -122.27 113.95 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.149 0.499 . . . . 0.0 110.1 171.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.82 142.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.441 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.7 139.68 31.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.051 0.453 . . . . 0.0 110.59 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 67.3 p -131.06 164.42 25.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.6 -177.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.1 t -145.5 134.19 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.202 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.72 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.433 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.31 -56.99 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.907 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 35.0 p -92.93 -7.83 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 55.4 74.29 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.711 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -123.57 122.48 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.613 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 47.2 m-80 66.97 16.32 10.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.894 0.746 . . . . 0.0 111.96 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.5 -56.33 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.673 0.273 . . . . 0.0 111.026 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.62 -35.5 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.356 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.42 -58.99 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.796 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.49 -26.86 31.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.6 -56.1 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.499 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.453 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.7 m-85 -66.23 -33.03 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.463 -175.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -57.26 -51.35 69.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.92 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 122' ' ' PRO . 37.3 tp -68.39 -39.53 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.046 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.35 -31.51 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.621 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.2 OUTLIER -74.0 -39.76 63.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.888 -0.142 . . . . 0.0 110.934 176.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.63 -31.75 72.64 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -56.21 -30.3 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.824 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.94 -51.57 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.179 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.16 -36.56 79.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.885 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB3' ' A' ' 120' ' ' LYS . 14.1 mptt -58.83 -52.93 63.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.276 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.07 -35.63 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.41 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 46.1 mtt . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 174.462 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.533 ' O ' HG12 ' B' ' 398' ' ' ILE . 37.9 m . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 120.599 0.238 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -58.56 -29.58 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -56.98 -55.45 34.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.417 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.79 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.012 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 394' ' ' THR . 47.7 mm -59.28 -51.31 74.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.591 0.234 . . . . 0.0 110.51 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' B' ' 402' ' ' ILE . 93.3 mttt -59.48 -40.8 88.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.381 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.3 mt-10 -64.37 -36.38 83.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 0.0 110.628 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 5.7 mm-40 -74.48 -37.2 63.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' B' ' 439' ' ' LEU . 99.5 mt -53.25 -53.01 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 172.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -65.66 -32.38 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -60.84 -52.97 62.82 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.8 mm-40 -65.62 -33.66 76.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.781 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.3 mt-10 -59.52 -44.53 93.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.22 -53.45 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.28 -48.66 73.71 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.665 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 21.9 tp -65.74 -47.55 74.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.433 0.635 . . . . 0.0 110.358 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.689 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 53.8 t30 -56.32 -50.06 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.334 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.1 m -59.81 -49.55 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.13 -51.0 71.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.723 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 9.4 p80 -68.4 -31.19 70.36 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.552 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.4 mtt180 -68.98 -47.09 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.681 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -52.23 66.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -178.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 429' ' ' LEU . 10.4 mp -62.24 -26.57 68.45 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.05 -19.62 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.287 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.61 86.88 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.19 1.08 51.13 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.23 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.2 mt -99.81 115.81 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -133.9 153.33 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 110.492 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.1 t70 -148.98 163.01 38.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.162 0.506 . . . . 0.0 110.475 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -63.52 -31.61 72.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.2 mmtt -69.41 -51.1 39.67 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.543 -176.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.83 -51.43 64.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.68 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.6 mmt180 -61.08 -44.74 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.127 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.553 HD11 HD22 ' B' ' 416' ' ' LEU . 16.2 mt -55.57 -53.3 58.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.544 0.528 . . . . 0.0 111.818 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.68 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -66.79 -36.88 83.44 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.416 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.447 ' O ' HG13 ' B' ' 435' ' ' ILE . 28.7 mm-40 -66.36 -55.44 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.68 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.5 p -62.66 -33.03 57.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.082 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -55.73 -55.63 29.96 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.365 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.47 -25.06 63.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.821 -177.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.5 mt -72.79 -42.61 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.82 -44.24 90.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.633 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 14.7 t -72.1 -31.46 66.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.983 0.421 . . . . 0.0 110.436 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.12 -36.88 84.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.69 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.59 -45.31 92.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.858 175.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -57.73 -40.89 80.7 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.321 0.581 . . . . 0.0 110.429 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.14 -46.15 88.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.919 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 32.2 mmmt -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.55 -38.98 88.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.359 . . . . 0.0 110.319 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.519 0.676 . . . . 0.0 109.477 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 1.2 tp10 -75.93 -35.6 59.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.276 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.842 -179.215 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.236 0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.634 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -105.19 11.04 33.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.695 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -141.08 108.06 5.43 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -114.94 143.72 44.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.679 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.96 116.08 31.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.192 178.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 64' ' ' ILE . 92.8 t -121.11 123.32 69.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.897 0.38 . . . . 0.0 110.737 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.39 130.47 64.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmt -90.18 122.92 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.288 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.47 142.25 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.254 0.55 . . . . 0.0 110.923 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.8 161.23 24.74 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -66.96 107.9 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.853 0.327 . . . . 0.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 67.15 -88.02 0.15 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.137 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.6 47.99 0.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.73 60.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 112.029 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.6 34.9 5.84 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.167 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 92' ' ' VAL . 20.9 pttp -120.0 2.38 10.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.728 0.764 . . . . 0.0 112.12 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -104.69 -26.57 12.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.519 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.71 -49.77 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.713 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.74 -35.11 80.0 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.675 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 p -67.39 -44.13 79.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.199 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.1 -37.11 79.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.106 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.808 HE22 ' HB1' ' A' ' 159' ' ' ALA . 78.6 mt-30 -71.12 -28.91 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.274 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.63 -39.61 67.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.678 0.275 . . . . 0.0 111.356 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.725 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mpp? -90.72 -48.36 7.1 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -98.58 -24.73 14.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 64.35 63.67 0.75 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.552 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.26 149.75 17.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.845 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.96 136.74 38.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.74 118.04 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.873 0.844 . . . . 0.0 111.472 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -123.02 -37.08 2.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.015 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -134.77 85.37 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.757 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -173.97 104.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.89 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.662 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.6 mm-40 -100.83 -59.64 0.11 Allowed Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.91 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 94.1 Cg_exo -17.92 -99.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 125.262 3.975 . . . . 0.0 115.706 -166.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 1.9 p 44.13 28.36 0.26 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -86.98 -57.51 2.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.601 0.715 . . . . 0.0 109.353 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.63 8.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.294 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CG ' ' HZ1' ' B' ' 440' ' ' LYS . 15.6 t70 -96.85 104.93 16.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.809 -171.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -115.28 176.32 5.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.55 159.12 44.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 65' ' ' ASP . 31.7 mtp180 -107.1 137.96 44.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.406 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.725 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.2 tptt -128.81 134.46 48.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.733 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 23.4 ttmm -118.17 130.75 56.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 110.239 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.09 149.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.875 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.3 p -119.86 129.99 74.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.296 0.57 . . . . 0.0 110.754 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 170' ' ' PHE . 95.2 mt -118.96 99.4 6.71 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.415 175.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 75.61 -37.21 0.32 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.02 0.825 . . . . 0.0 112.473 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.87 -102.16 1.62 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.795 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 56' ' ' VAL . 21.3 pt-20 -97.49 153.57 18.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.03 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 42.1 mt-10 -67.53 109.1 3.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.545 . . . . 0.0 109.902 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 13' ' ' ALA . 89.8 t -105.97 137.49 35.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.031 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 17.3 pt20 -113.41 139.57 48.79 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.518 0.675 . . . . 0.0 111.25 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 17' ' ' VAL . 6.9 tt -123.05 121.48 63.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.796 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 13.0 m-20 -93.94 130.26 40.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.43 116.26 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.635 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.01 108.52 18.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.89 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -93.91 125.49 38.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -86.57 145.83 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.47 101.51 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.837 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -78.1 68.81 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.575 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -141.48 173.04 11.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.29 5.99 49.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.6 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.493 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -87.37 -82.58 0.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.886 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.7 68.38 6.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.216 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.82 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.807 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.505 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.76 -10.43 56.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.408 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.6 mt -98.3 -23.5 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.501 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -92.27 -66.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.071 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.1 -45.24 42.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.51 -171.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 92.0 m-20 -72.92 -17.47 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.82 -174.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -82.28 -15.17 53.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB2' HG21 ' A' ' 114' ' ' VAL . 20.7 m-85 -69.39 -16.69 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -50.9 -58.06 6.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -171.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -105.91 27.06 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.031 0.444 . . . . 0.0 111.45 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.31 123.14 7.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.549 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 30.4 mt-10 -77.47 -72.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.908 0.354 . . . . 0.0 110.237 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.48 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -95.1 138.29 13.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.803 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 121' ' ' ILE . 53.9 m-85 -121.88 126.46 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -104.48 111.98 24.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.651 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 104' ' ' THR . 11.2 mp -88.4 107.83 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.731 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.897 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.1 m -106.58 139.65 27.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -154.68 158.31 39.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.564 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.829 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -96.43 147.98 23.26 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.494 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.12 10.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.855 -176.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 132' ' ' LEU . 15.9 p -114.54 -17.25 11.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.015 0.436 . . . . 0.0 110.984 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.829 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 31.9 mm-40 -95.09 104.46 16.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.715 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -71.64 -35.48 70.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.38 -48.15 81.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.954 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 m -60.93 -35.51 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.67 -42.57 98.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.4 m -73.26 -32.87 64.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.406 . . . . 0.0 110.82 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.05 66.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.032 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.442 ' HB ' HD23 ' A' ' 91' ' ' LEU . 69.1 p -55.97 -38.95 71.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.018 0.437 . . . . 0.0 110.474 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.48 87.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.243 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -56.52 -46.31 80.63 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.2 m-85 -57.8 -51.8 68.1 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.428 ' O ' HD13 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -59.83 -43.77 94.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.098 -178.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.49 -43.29 90.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.893 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.76 -31.71 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 0.0 110.764 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.7 mt -59.62 -46.35 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 172.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.718 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -75.41 -3.16 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.871 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 113' ' ' ARG . 9.0 tpp180 -79.25 -36.46 39.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.439 . . . . 0.0 109.825 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB2' ' A' ' 83' ' ' PHE . 31.0 m -99.07 -34.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 54.9 mtpt -124.29 93.48 3.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.854 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 9.56 23.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 119' ' ' ASP . 72.2 mm-40 -115.49 92.76 4.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 121' ' ' ILE . 52.6 mt-10 -67.1 14.21 0.05 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.129 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 117' ' ' GLU . 8.9 t70 -60.66 -36.16 78.01 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.232 0.613 . . . . 0.0 111.192 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.971 ' HE3' ' HA ' ' A' ' 180' ' ' LYS . 46.9 mmtm -124.08 39.38 3.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.512 HG22 HD11 ' A' ' 123' ' ' LEU . 51.4 mt -128.98 87.84 53.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.278 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 9.9 Cg_endo -91.3 127.3 1.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.345 2.697 . . . . 0.0 111.327 171.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 152' ' ' VAL . 5.1 mp -115.16 135.96 53.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 110.855 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.833 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.7 tp -128.05 117.6 21.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.172 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 117.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.596 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.693 ' HB ' HG12 ' A' ' 92' ' ' VAL . 47.0 t -105.97 109.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.706 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -86.3 97.22 2.2 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.14 175.74 5.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 131' ' ' ASP . 22.0 tptm 62.46 25.76 15.35 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.725 0.64 . . . . 0.0 109.932 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -72.44 29.42 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.941 0.877 . . . . 0.0 110.964 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.3 t70 -91.24 -11.13 39.1 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 96' ' ' THR . 26.2 mt -96.22 41.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.201 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.31 -21.28 61.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.622 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.783 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 4.4 pt-20 -90.58 -16.13 29.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.653 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.783 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 85.9 mtt180 -121.89 13.88 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 -173.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.15 114.07 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.906 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -93.4 -28.92 15.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.615 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.429 HG12 ' C ' ' A' ' 95' ' ' ILE . 10.6 p -111.5 122.22 38.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.107 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.598 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 40.6 Cg_exo -58.64 124.87 16.74 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.068 2.512 . . . . 0.0 112.599 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.83 -25.03 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.59 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -64.69 -42.45 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.598 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.3 pt-20 -81.52 -18.03 46.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.568 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.51 68.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.6 mtp180 -62.02 -42.16 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.155 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -57.19 -33.5 67.55 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.219 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.05 -46.01 83.02 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.672 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.89 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.593 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.26 -41.43 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.135 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -68.16 -42.1 80.55 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.56 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -78.02 -22.08 49.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.196 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.19 35.55 14.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.42 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 123' ' ' LEU . 27.1 m -123.32 -179.12 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.833 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.2 pm0 -108.07 149.31 28.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.161 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -118.07 121.02 39.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.835 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -125.72 130.3 72.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.9 140.18 30.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.009 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.4 p -126.91 149.71 49.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.146 0.498 . . . . 0.0 110.646 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -133.56 107.78 8.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.959 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.808 ' HB1' HE22 ' A' ' 33' ' ' GLN . . . -78.53 -6.2 54.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.528 178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -65.52 -43.91 88.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 110.325 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -121.01 9.44 10.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.334 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 57.51 59.25 3.37 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 121.414 0.626 . . . . 0.0 111.2 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -109.33 125.4 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.404 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 65.52 17.79 11.05 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.662 0.785 . . . . 0.0 112.041 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 62.1 t -67.08 -51.43 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.577 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.9 -38.16 82.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.66 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.309 -172.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.3 m -57.65 -34.6 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.38 -46.47 32.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 57' ' ' LEU . 42.2 m-85 -67.0 -46.25 75.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.505 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.25 -41.13 92.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.7 tp -62.59 -43.85 97.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.381 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.6 -30.69 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.527 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -63.25 -48.8 76.67 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.814 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.71 -36.34 76.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.291 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.7 mt -58.84 -39.24 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -62.52 -51.72 66.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.899 0.38 . . . . 0.0 110.007 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -59.53 -43.04 93.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.223 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.0 -37.38 85.78 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.971 ' HA ' ' HE3' ' A' ' 120' ' ' LYS . 46.6 mtpt -74.41 -44.61 51.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 59.4 mtm . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 120.594 0.235 . . . . 0.0 110.997 -177.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.571 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.6 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.191 0.52 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.79 -28.16 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.433 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -58.95 -51.97 67.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.364 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.27 94.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.833 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.571 HG12 ' O ' ' B' ' 394' ' ' THR . 50.6 mm -57.77 -49.88 79.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.692 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.7 mttt -59.15 -40.19 84.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.2 mt-10 -62.28 -44.04 97.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.604 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 33.8 mt-10 -69.92 -36.18 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.443 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.584 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.4 mt -54.48 -52.91 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 173.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.518 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 22.4 mmm180 -61.45 -35.1 76.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.65 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -62.53 -44.2 96.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.5 mm-40 -74.35 -32.77 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -177.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 47.0 mt-10 -59.3 -44.13 92.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.135 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.66 -49.45 75.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.097 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' B' ' 432' ' ' VAL . 89.0 mt -57.37 -47.61 81.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.042 0.449 . . . . 0.0 110.76 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.86 -48.29 77.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.998 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.1 t30 -60.27 -35.27 75.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.177 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . 0.464 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 8.7 t -62.88 -55.22 28.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.451 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -56.92 -35.37 68.96 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.045 0.45 . . . . 0.0 110.598 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.659 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 22.0 m170 -61.26 -33.15 73.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.148 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.1 mtm180 -78.05 -52.85 8.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 0.0 111.087 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.46 -51.6 69.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.033 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.2 mp -69.36 -26.58 64.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 111.312 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.3 tt0 -63.41 -23.45 67.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.823 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.53 -5.63 78.61 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.385 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.15 -1.73 31.35 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.152 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.4 mt -105.65 115.84 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.707 -0.29 . . . . 0.0 110.586 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 155.83 47.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.084 0.468 . . . . 0.0 110.538 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.5 t70 -148.31 168.23 23.1 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.76 -39.64 92.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 20.2 m -62.91 -32.65 73.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.708 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' B' ' 416' ' ' LEU . 30.9 mmtt -73.0 -52.43 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.84 -45.19 90.62 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -72.79 -34.21 66.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 424' ' ' SER . 17.6 tpt180 -66.45 -35.01 79.23 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.483 HD11 HD22 ' B' ' 416' ' ' LEU . 9.4 mt -56.14 -53.94 51.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.776 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 65.3 m95 -64.71 -30.9 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.627 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 43.8 mt-10 -64.47 -56.63 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.171 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.641 HG21 ' HB2' ' B' ' 408' ' ' LEU . 4.0 p -63.61 -33.82 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.285 0.564 . . . . 0.0 110.407 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -55.42 -53.74 52.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.486 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.627 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 0.6 OUTLIER -67.57 -26.69 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.714 -177.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.2 mt -72.65 -41.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.473 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' B' ' 405' ' ' GLN . 51.0 tp -59.23 -45.64 90.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 178.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -73.26 -25.36 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.884 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.54 79.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.584 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.75 -40.23 87.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.549 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.514 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 92.8 mttt -56.74 -44.14 81.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.173 0.511 . . . . 0.0 110.405 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' B' ' 445' ' ' GLU . 1.0 OUTLIER -63.6 -44.92 92.6 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.772 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.526 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.5 mmmm -61.06 -36.27 79.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.788 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.448 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.5 tp -63.25 -47.35 82.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.673 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -81.97 -5.69 58.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 441' ' ' ARG . 37.2 tt0 -84.48 -37.54 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.299 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.671 -178.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 HD12 ' HG2' ' A' ' 177' ' ' ARG . 1.1 pt? . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 121.235 0.54 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.4 4.0 50.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.769 0.795 . . . . 0.0 109.783 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.31 136.16 49.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.851 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' HB3' HD12 ' A' ' 176' ' ' ILE . 86.9 m-70 -135.35 144.97 46.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -138.86 107.46 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.19 128.21 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.246 -173.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG21 ' HE1' ' A' ' 83' ' ' PHE . 53.5 mt -110.1 120.34 60.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.565 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 53.4 ttm -102.23 121.28 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -99.83 169.93 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.76 -178.97 46.36 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -93.89 13.83 21.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.184 0.516 . . . . 0.0 110.974 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.92 -63.63 0.31 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.485 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.16 -114.5 1.37 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.5 t 69.86 -49.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 123.383 0.673 . . . . 0.0 111.07 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.23 35.5 1.1 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.7 pttp -81.85 -1.17 46.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.887 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -92.04 -8.95 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.154 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.8 -55.86 6.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' HG ' HG13 ' A' ' 165' ' ' VAL . 7.5 mp -60.29 -35.61 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.822 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -66.71 -47.13 73.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.312 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HB3' HG22 ' A' ' 40' ' ' VAL . 9.8 tt -65.47 -41.03 93.8 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 50.1 mt-30 -62.4 -33.24 74.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -73.43 -40.92 63.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtp -72.66 -50.03 27.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 1.22 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.655 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 63.12 19.75 11.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 14.3 pt-20 -135.78 172.93 12.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 110.461 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -76.38 150.46 36.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 109.958 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 32' ' ' LEU . 56.9 t -73.01 107.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.719 -175.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -74.54 -50.57 17.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.391 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -160.27 145.77 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.7 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -173.16 110.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.12 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.3 mt-10 -102.04 -63.43 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 24.3 Cg_exo -61.42 113.47 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.286 1.991 . . . . 0.0 113.228 -170.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -158.04 47.61 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.594 175.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' A' ' 72' ' ' LEU . 13.7 mmmm -87.21 -56.94 3.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.362 0.601 . . . . 0.0 109.666 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.22 18.05 8.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.374 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.0 m-20 -84.72 88.97 7.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.233 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -96.1 142.09 28.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.57 169.81 16.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.115 0.483 . . . . 0.0 111.868 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -118.04 150.36 39.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.27 -170.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -135.92 129.79 32.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.621 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -101.79 116.8 33.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.227 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 153.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -124.77 116.54 47.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.396 0.617 . . . . 0.0 110.244 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 97.7 mt -99.41 100.8 11.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.282 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 25.2 t70 76.17 -40.83 0.4 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.777 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.7 -34.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.172 -1.014 . . . . 0.0 113.727 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.59 127.97 34.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 117.397 0.599 . . . . 0.0 110.609 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.28 111.79 12.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.51 141.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.569 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -114.45 127.05 55.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.559 -172.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -126.78 136.72 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.839 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.44 134.51 49.46 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.244 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.16 114.79 47.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.567 0.223 . . . . 0.0 111.339 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 18' ' ' ILE . 53.8 tp -103.75 103.95 13.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.605 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -92.39 95.01 9.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 p -71.04 145.46 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.201 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 113.69 12.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.78 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.53 78.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.021 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -155.44 171.17 20.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.611 0.243 . . . . 0.0 110.657 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -93.26 -3.8 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.343 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 11.1 m-20 -71.46 -78.47 0.08 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.317 0.58 . . . . 0.0 110.432 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.33 71.51 5.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.262 -175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -22.99 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.088 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.843 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.19 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.808 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 56.8 mt -80.8 -18.42 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.65 0.738 . . . . 0.0 109.848 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -91.84 -63.89 1.19 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.763 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.57 -58.06 3.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.08 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.843 HD22 ' HA ' ' A' ' 77' ' ' ALA . 51.6 m-80 -66.02 -17.37 64.64 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.808 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.88 -13.41 36.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.504 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.2 m-30 -88.31 87.76 7.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.47 ' NH2' HD12 ' B' ' 423' ' ' LEU . 35.2 ttp85 -170.39 -49.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.365 166.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 t -66.06 -16.78 64.22 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.19 137.5 14.12 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.637 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -98.42 -42.88 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.166 0.483 . . . . 0.0 112.056 -176.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.81 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -82.22 132.37 11.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.702 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CE2' ' HE2' ' A' ' 115' ' ' LYS . 97.2 m-85 -124.65 142.88 51.06 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.052 0.453 . . . . 0.0 111.132 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.29 111.03 20.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.084 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.32 106.79 18.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.838 HG12 ' HB ' ' A' ' 126' ' ' VAL . 28.7 m -105.45 137.39 35.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.002 0.43 . . . . 0.0 110.629 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -142.84 151.76 41.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.53 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -105.93 132.86 51.52 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 4.31 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.1 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.797 HG23 HD13 ' A' ' 132' ' ' LEU . 24.1 p -94.97 -20.92 18.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.812 0.339 . . . . 0.0 110.732 173.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -108.52 103.13 12.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.92 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -72.3 -21.19 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.065 0.459 . . . . 0.0 109.842 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.31 -54.89 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.965 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 p -67.36 -30.75 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 m -78.7 -29.28 45.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.183 0.516 . . . . 0.0 110.719 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.9 64.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.982 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 41.0 p -56.94 -41.34 78.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.39 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.511 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.19 -41.15 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.325 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -59.2 -47.99 83.27 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.142 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -54.12 -55.02 31.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.908 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.43 -28.79 69.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.867 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.43 -33.92 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 95.2 mt -65.87 -47.53 85.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.801 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.97 -7.71 48.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.49 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -78.86 -47.39 16.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.158 0.504 . . . . 0.0 110.535 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.3 m -100.37 -8.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.707 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.3 mtpp -133.14 106.18 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.403 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.34 11.95 0.72 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.837 0.351 . . . . 0.0 111.229 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -106.5 -9.43 16.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 4.6 pt-20 -98.62 -174.25 2.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.27 -66.43 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.786 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -153.11 135.48 15.02 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.518 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.3 mt -99.69 107.07 44.06 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.902 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.81 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 79.0 Cg_endo -86.19 128.62 3.16 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 123.052 2.501 . . . . 0.0 112.642 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.701 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 6.5 mp -118.72 122.85 43.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.2 tp -119.82 114.6 22.36 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.9 t -85.58 127.82 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.838 ' HB ' HG12 ' A' ' 92' ' ' VAL . 44.2 t -115.52 118.05 57.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.02 108.62 2.61 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.2 t30 -106.43 156.66 18.3 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 33.8 mmtp 67.62 28.34 7.45 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.657 0.598 . . . . 0.0 110.749 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.6 m -74.06 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.455 0.645 . . . . 0.0 110.29 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.99 20.55 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.797 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -141.41 46.17 1.72 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.389 179.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.47 -21.9 64.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.856 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.35 -23.73 67.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.325 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -105.54 7.0 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -58.9 115.34 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.55 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -91.92 -30.94 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.654 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.48 122.0 29.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.925 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.85 122.28 10.05 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.248 1.965 . . . . 0.0 111.064 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -67.86 -8.88 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.275 -175.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.28 -46.48 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.99 -16.94 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.59 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.39 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 52.9 mtm-85 -58.4 -37.52 75.47 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 0.0 110.508 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 t -57.2 -47.06 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.009 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 68.2 mmtt -62.88 -34.42 77.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.535 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -59.0 -47.48 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.19 0.519 . . . . 0.0 110.064 175.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.69 -35.7 79.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.656 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.28 -30.34 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.441 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -91.21 -6.83 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.677 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.52 26.78 62.56 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.174 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 12.0 m -115.01 -174.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -114.12 149.06 36.17 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.272 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.1 t80 -120.22 122.97 42.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.06 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.495 HG23 HD11 ' A' ' 124' ' ' LEU . 60.7 t -121.09 128.57 76.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.628 177.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.3 131.94 39.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.284 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.0 p -132.25 133.79 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 112.061 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 18.1 m -106.0 88.56 2.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.32 68.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.875 -174.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.11 -36.86 71.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.739 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 p -111.61 8.53 20.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.197 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.503 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 86.4 mtm180 61.8 20.53 11.5 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.485 -177.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.28 116.79 17.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 70.44 7.4 6.2 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.989 0.806 . . . . 0.0 112.181 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.438 HG13 ' HG ' ' A' ' 30' ' ' LEU . 79.0 t -66.05 -38.43 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 111.669 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.79 -24.7 58.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.57 -47.69 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.075 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.14 -30.75 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.7 -48.11 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.2 m-85 -69.88 -38.17 76.28 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -51.95 67.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.673 0.273 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.1 tp -66.5 -31.99 73.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.14 -34.18 77.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 13.0 mmt180 -72.04 -37.63 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.531 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.48 -29.44 67.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.333 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 34.8 mt -66.09 -27.2 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.565 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.518 ' HG2' HD12 ' A' ' 12' ' ' LEU . 74.5 mtt180 -62.43 -32.65 73.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.891 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.0 m -63.97 -30.34 71.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.62 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 9.6 mptt -68.9 -54.49 15.21 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -71.95 -21.91 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.657 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 C--N 1.322 -0.623 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.801 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.572 ' O ' HG12 ' B' ' 398' ' ' ILE . 31.5 m . . . . . 0 N--CA 1.449 -0.491 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.78 -33.38 71.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.796 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.8 62.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.9 -38.63 95.76 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.851 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 394' ' ' THR . 46.8 mm -57.66 -48.09 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.565 0.221 . . . . 0.0 110.882 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.4 mttm -57.56 -44.32 85.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.441 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.74 -39.3 87.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.0 mt-10 -62.12 -45.61 92.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.631 0.253 . . . . 0.0 110.516 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.61 HG12 ' HB3' ' B' ' 439' ' ' LEU . 71.7 mt -55.35 -52.82 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.105 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.3 mtp180 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 20.0 ttm180 -57.5 -49.84 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.261 176.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.478 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.9 mm-40 -73.11 -33.62 65.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.684 -176.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 77.2 mt-10 -60.37 -42.45 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.53 -47.05 77.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.795 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.9 mt -62.4 -51.84 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.595 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.401 HD13 HG13 ' B' ' 432' ' ' VAL . 59.8 tp -63.94 -34.44 77.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.119 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.634 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 46.4 t30 -59.38 -50.42 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 175.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 11.6 t -59.24 -51.05 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.003 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -52.24 -53.39 44.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 7.7 p80 -68.63 -28.95 67.36 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.195 -176.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -77.78 -52.93 8.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.93 -45.14 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.975 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.8 mp -63.7 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.276 0.56 . . . . 0.0 110.927 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -68.26 -28.71 67.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.276 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -15.21 75.58 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.701 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.78 -8.52 7.26 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.969 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.1 mt -83.75 115.77 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -139.16 140.6 37.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.722 0.773 . . . . 0.0 111.435 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.719 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.5 t70 -150.81 166.92 29.04 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.47 HD12 ' NH2' ' A' ' 84' ' ' ARG . 2.7 mm? -65.5 -34.55 78.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.029 0.443 . . . . 0.0 110.233 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.664 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.719 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.2 mmtt -69.11 -43.16 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' A' ' 84' ' ' ARG . 37.6 mt-10 -60.45 -46.19 90.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.551 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.05 -42.9 99.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.132 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.9 mmt180 -63.64 -41.84 98.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.676 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.7 mt -55.8 -56.18 23.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 123.325 0.391 . . . . 0.0 110.938 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.73 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 22.3 m95 -64.84 -41.43 95.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.52 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.458 ' O ' HG13 ' B' ' 435' ' ' ILE . 11.5 tp10 -57.67 -56.21 24.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.693 0.283 . . . . 0.0 110.887 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' B' ' 435' ' ' ILE . 12.1 p -62.66 -33.41 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.525 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.1 tp60 -54.57 -52.71 61.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.59 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.73 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.14 -35.21 77.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.501 -178.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 432' ' ' VAL . 36.0 mt -64.98 -43.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.205 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.36 -49.54 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.245 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.406 HG22 ' HA ' ' B' ' 434' ' ' ARG . 13.3 t -71.65 -33.95 69.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -68.86 -35.04 76.45 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.104 176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 1.002 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -63.96 -42.74 97.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.21 -29.73 70.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.42 . . . . 0.0 110.06 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.0 tmt_? -67.94 -41.2 82.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 1.002 ' HD3' HD13 ' B' ' 439' ' ' LEU . 53.2 mtpt -57.16 -37.5 72.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.413 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.3 tp -66.02 -36.77 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.75 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -82.26 -5.28 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.63 -54.64 3.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.418 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.872 -177.256 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' A' ' 177' ' ' ARG . 64.7 mt . . . . . 0 C--O 1.236 0.342 0 CA-C-O 120.977 0.418 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 12.1 33.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 110.796 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.8 tp -125.29 128.07 47.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.222 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -131.46 148.66 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.068 0.461 . . . . 0.0 111.467 -174.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.9 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.7 tpmt? -124.37 114.82 20.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t -120.87 120.26 61.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.84 122.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.451 . . . . 0.0 110.733 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.725 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -84.84 117.37 23.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.682 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' VAL . 35.2 m -127.04 170.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.362 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.33 -161.44 28.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.443 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -75.15 92.65 2.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.992 0.425 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 60.46 -102.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.93 52.79 0.44 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.49 HG11 ' OE2' ' A' ' 97' ' ' GLU . 28.6 m -54.0 -35.92 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.78 -19.43 0.02 OUTLIER Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.36 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -61.86 -18.63 60.81 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.26 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.6 t -72.28 -37.81 68.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.7 66.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.249 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.35 -42.19 81.51 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.107 -176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.51 HG22 ' HZ ' ' A' ' 169' ' ' PHE . 45.4 p -71.29 -39.05 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 28' ' ' SER . 82.9 mt -55.67 -40.41 72.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.439 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 52.6 mt-30 -65.93 -32.72 74.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -73.07 -47.48 44.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -81.16 -34.87 32.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.47 -9.75 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.116 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 67.8 7.77 5.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.061 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 11.2 pt-20 -144.55 170.26 16.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.758 0.314 . . . . 0.0 110.72 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 50.9 t80 -79.07 150.72 31.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.816 -174.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.52 136.69 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.472 . . . . 0.0 111.297 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.65 -39.03 2.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.002 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -134.44 100.49 4.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -171.42 94.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.068 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 mt-10 -84.13 -56.68 0.42 Allowed Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 28.6 Cg_endo -61.38 124.13 14.14 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.45 2.1 . . . . 0.0 112.775 -176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.72 37.39 0.41 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.43 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -85.83 -53.18 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.271 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -124.01 27.05 7.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.632 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -102.52 88.66 3.31 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.351 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -96.24 150.65 20.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -133.04 117.1 17.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.978 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 56.1 ttp180 -78.97 106.91 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -97.35 134.28 40.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -95.36 119.13 33.33 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.833 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.25 145.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.787 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.9 p -115.99 120.55 65.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.545 0.688 . . . . 0.0 110.04 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' CZ ' ' A' ' 174' ' ' ARG . 0.4 OUTLIER -120.12 97.33 5.55 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.023 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 59.12 37.84 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.725 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.69 -123.27 0.73 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.787 -1.197 . . . . 0.0 113.955 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.5 pt-20 -107.06 168.02 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.94 118.7 8.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.18 0.514 . . . . 0.0 110.72 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 60' ' ' GLU . 57.7 t -106.71 147.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.341 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -113.16 118.32 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 110.387 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 tt -120.37 121.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.946 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 24.1 t0 -102.37 119.64 39.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.003 -176.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.53 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 45.7 mm -108.61 124.66 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.068 -173.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.548 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 31.1 tp -107.81 128.57 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.015 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -99.47 101.98 13.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.2 p -78.95 138.63 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.58 108.57 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.245 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -77.3 77.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.352 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.51 174.53 13.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -97.39 0.04 47.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' HD13 ' A' ' 72' ' ' LEU . 19.3 m-20 -79.43 -72.66 0.38 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.427 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.5 m-85 -78.98 76.81 5.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.102 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -23.63 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.16 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.08 -15.2 62.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.751 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.643 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.8 mt -96.75 -31.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 110.717 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -91.89 -61.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.76 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -54.14 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.656 -172.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 93.5 m-20 -76.5 -30.64 57.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.643 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -74.66 -24.48 58.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.412 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.8 m-30 -64.9 -14.97 61.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG3' ' CD ' ' B' ' 426' ' ' GLU . 2.9 mmt85 -54.53 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.502 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 6.0 m -80.07 15.98 1.35 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.74 0.305 . . . . 0.0 111.457 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.9 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -86.78 135.47 13.27 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.421 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 80.1 mt-10 -97.61 -72.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.893 0.378 . . . . 0.0 110.485 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -100.21 143.0 16.15 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.361 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.12 129.33 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -103.59 113.44 26.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.563 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 123' ' ' LEU . 80.6 mt -88.5 107.4 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.839 HG21 ' HB3' ' A' ' 27' ' ' LYS . 28.5 m -106.44 147.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.27 0.557 . . . . 0.0 112.239 -174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -156.65 148.57 22.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.598 ' HB2' ' HB3' ' A' ' 129' ' ' LYS . 98.2 p -84.76 153.17 23.19 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.901 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.6 10.25 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.148 0.499 . . . . 0.0 112.219 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.0 p -119.64 7.56 11.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.212 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' OE2' HG11 ' A' ' 25' ' ' VAL . 42.5 mt-10 -118.81 97.98 5.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -80.05 -27.58 39.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.67 -56.44 15.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.139 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 13.8 m -62.28 -28.28 69.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.37 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.1 t80 -62.45 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -75.53 -28.08 58.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.211 0.529 . . . . 0.0 110.488 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.78 -14.57 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.053 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 33.8 p -55.56 -38.38 69.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.604 0.24 . . . . 0.0 111.621 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.19 87.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.77 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.66 -46.51 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.953 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-85 -61.25 -48.05 83.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.762 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.81 -54.94 27.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.514 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.28 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.805 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.62 -30.35 65.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.5 mt -64.79 -42.34 94.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.975 0.416 . . . . 0.0 110.51 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.04 -26.7 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.21 -40.83 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.755 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.732 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.6 m -96.44 -0.71 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.732 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -129.74 -73.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.669 0.271 . . . . 0.0 111.061 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' OE2' ' A' ' 117' ' ' GLU . . . 60.86 -88.3 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.831 0.853 . . . . 0.0 113.145 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' A' ' 116' ' ' ALA . 1.7 pm0 -79.7 62.73 4.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.58 0.705 . . . . 0.0 112.068 -174.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.42 ' HG3' ' HE3' ' A' ' 115' ' ' LYS . 11.4 mm-40 -95.78 -163.07 1.01 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.501 174.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.04 -84.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.963 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 30.6 mmmt -149.05 113.85 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.09 108.31 12.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.931 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 49.6 Cg_endo -91.19 117.02 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.012 2.475 . . . . 0.0 112.512 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 91' ' ' LEU . 6.2 mp -102.8 151.82 21.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.056 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.821 HD13 ' HG3' ' A' ' 153' ' ' GLN . 2.6 tp -145.04 117.52 8.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.478 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.9 t -84.44 118.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.723 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.6 t -110.22 110.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.745 -175.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.45 104.43 2.72 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 94' ' ' SER . 8.6 p30 -102.74 177.79 4.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.74 0.305 . . . . 0.0 111.201 -174.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 19.2 tptm 65.63 25.26 11.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.79 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -70.24 0.9 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.92 -15.41 63.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.539 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 135' ' ' ARG . 71.0 mt -77.4 -53.04 8.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 44.8 tt0 65.01 -76.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.362 0.665 . . . . 0.0 112.18 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . 24.3 ttm180 -94.9 8.92 41.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 120.929 0.395 . . . . 0.0 110.3 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 133' ' ' GLU . 39.1 ttp180 -53.28 118.89 4.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.021 -175.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 33.5 tt0 -94.28 -35.48 12.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.46 118.07 37.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.45 133.04 35.59 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.213 1.942 . . . . 0.0 111.893 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.529 HG12 ' HG3' ' A' ' 144' ' ' ARG . 19.2 t -57.08 -20.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.223 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.06 -52.86 61.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.34 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.92 -24.75 55.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.815 0.34 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -69.39 -47.27 64.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 140' ' ' VAL . 69.3 mtp180 -63.05 -35.44 80.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.508 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -63.91 -40.67 97.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.89 -46.55 74.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.15 -42.37 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.46 -41.11 98.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.86 -33.72 76.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -81.51 -8.19 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.338 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.46 23.29 56.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.285 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 147' ' ' ALA . 35.5 m -120.43 -179.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.589 0.233 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.821 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -106.83 156.33 18.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.22 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.474 ' CE2' HG13 ' A' ' 140' ' ' VAL . 83.3 t80 -121.54 124.09 43.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.955 175.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.38 135.6 61.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.072 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.99 149.3 25.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.317 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 7.1 p -136.38 134.49 37.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.378 0.609 . . . . 0.0 111.622 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.2 m -112.93 129.2 56.56 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.11 -35.09 9.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.667 0.27 . . . . 0.0 111.438 -172.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.09 -26.47 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.298 0.57 . . . . 0.0 110.144 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.5 p -109.11 -13.45 14.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.293 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? 60.74 83.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.777 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.79 25.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.581 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 70.68 3.24 4.47 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.004 0.815 . . . . 0.0 112.088 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.06 -40.69 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.312 0.577 . . . . 0.0 109.904 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 -44.17 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.331 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -56.43 -52.7 63.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.772 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -55.89 -30.83 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.51 ' HZ ' HG22 ' A' ' 31' ' ' THR . 61.1 m-85 -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.545 176.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 51.8 m-85 -59.95 -39.6 86.12 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.055 0.222 . . . . 0.0 111.559 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -56.89 -51.51 68.82 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.72 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -65.07 -40.32 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.231 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.4 mtp -59.87 -31.55 69.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.221 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 29.6 mmt180 -72.64 -45.07 60.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.81 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 9.0 mm-40 -57.98 -37.76 74.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 175.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.8 mt -55.81 -43.65 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.991 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.683 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 36.2 ptt180 -66.49 -36.73 83.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.41 -41.94 79.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.963 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 64.9 mmtt -61.63 -41.75 97.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.981 0.419 . . . . 0.0 110.731 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.15 -29.01 68.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.844 177.77 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.577 HG23 ' HB1' ' B' ' 446' ' ' ALA . 8.8 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -58.99 -28.83 66.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.776 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.01 -55.23 35.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.53 -37.92 78.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.546 ' O ' HG13 ' B' ' 402' ' ' ILE . 22.2 mm -54.54 -51.37 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.3 mttt -65.51 -32.85 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.536 -177.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.13 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 110.91 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 23.8 mt-10 -78.18 -34.97 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.685 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.697 HG12 ' HB3' ' B' ' 439' ' ' LEU . 69.6 mt -57.28 -54.17 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.256 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -64.29 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.2 ttm180 -58.47 -48.22 81.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.788 173.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' B' ' 432' ' ' VAL . 69.9 mm-40 -75.27 -30.32 60.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.631 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 45.2 mt-10 -59.55 -45.28 92.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.31 -48.29 65.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.2 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 80.7 mt -60.03 -51.99 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.969 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.717 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -64.13 -34.78 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.651 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 61.2 t30 -64.07 -45.62 87.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.344 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.8 t -59.13 -51.95 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.411 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.8 mm? -52.86 -34.7 55.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.919 0.39 . . . . 0.0 111.016 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -72.81 -39.68 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 18.9 mtm180 -76.72 -54.08 7.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.438 0.637 . . . . 0.0 110.785 -176.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.95 -40.25 87.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.987 -168.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -72.45 -23.91 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.42 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 3.8 mt-30 -54.23 -30.44 50.09 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.851 0.46 . . . . 0.0 111.778 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.15 2.42 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.157 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.02 37.42 83.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.438 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.8 mt -119.06 133.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.413 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -157.6 145.03 18.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.612 . . . . 0.0 110.676 172.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.648 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.79 158.91 44.49 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 176.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.045 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.19 -36.72 85.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 0.0 110.297 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 34.2 mmtt -72.51 -46.25 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.035 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 62.7 mt-10 -59.82 -47.49 85.48 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.086 -175.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.35 -48.3 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.703 ' O ' HG12 ' B' ' 432' ' ' VAL . 25.9 mmt180 -60.76 -39.89 90.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.086 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -54.82 -54.56 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.576 0.547 . . . . 0.0 110.914 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.548 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 52.0 m95 -70.93 -31.83 68.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.603 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 37.9 tt0 -65.01 -56.44 13.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.446 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.717 HG13 HD23 ' B' ' 409' ' ' LEU . 5.6 p -62.76 -33.91 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.241 0.543 . . . . 0.0 110.233 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -55.49 -53.3 58.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.035 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -71.0 -26.84 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.109 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.5 mt -70.38 -45.21 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' B' ' 405' ' ' GLN . 18.1 tp -60.35 -43.59 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 111.379 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.0 t -68.99 -33.29 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.591 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.39 -40.18 85.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -59.14 -43.13 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.262 178.177 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.54 -41.31 89.79 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.337 0.589 . . . . 0.0 110.164 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -66.03 -44.03 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.602 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -61.04 -32.72 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.894 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.2 tp -63.28 -48.04 79.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -79.39 -7.29 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.01 0.433 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.7 -26.6 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.988 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.577 ' HB1' HG23 ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.219 -175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.606 HD23 ' HD3' ' A' ' 180' ' ' LYS . 91.7 mt . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.1 6.33 42.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.043 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 tp -134.92 133.76 39.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.281 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -135.98 131.32 34.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.0 tpmt? -101.81 107.44 18.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.085 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -122.51 129.66 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.273 0.559 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.14 127.14 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 49.7 ttm -97.16 127.17 42.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 91' ' ' LEU . 25.5 m -93.55 176.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.836 0.351 . . . . 0.0 111.23 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.488 ' HA3' ' HD2' ' A' ' 27' ' ' LYS . . . 143.21 -179.25 20.87 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 1.056 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 21.6 m -133.83 -65.02 0.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.876 0.338 . . . . 0.0 110.856 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.05 -97.02 1.13 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.621 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.78 -85.52 1.85 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.406 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t 71.33 -52.58 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.508 0.723 . . . . 0.0 111.637 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.1 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -76.73 4.89 8.6 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -121.95 -33.63 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.939 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.22 70.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.384 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 165' ' ' VAL . 87.2 mt -65.31 -41.9 93.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.326 0.584 . . . . 0.0 110.859 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.571 HG23 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -62.75 -38.38 90.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.364 -173.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -68.64 -30.96 69.78 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.005 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.75 HE22 ' HA ' ' A' ' 39' ' ' PHE . 71.0 mm-40 -63.58 -40.84 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 110.1 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -70.2 -27.81 64.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.298 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtm -97.86 -53.12 3.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.898 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.23 -21.47 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 66.9 29.61 8.16 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.942 0.877 . . . . 0.0 109.283 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -127.06 148.34 50.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.879 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.75 ' HA ' HE22 ' A' ' 33' ' ' GLN . 67.6 t80 -81.6 149.47 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 43' ' ' TYR . 24.0 t -75.17 100.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 111.338 -175.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -98.18 -38.2 9.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -151.71 86.92 1.34 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HB3' HG13 ' A' ' 40' ' ' VAL . 82.7 t80 -160.93 105.95 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.639 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -95.75 -64.3 0.11 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.393 176.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 22.7 Cg_exo -24.5 84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.607 0 C-N-CA 125.113 3.875 . . . . 0.0 115.269 -167.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.565 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 11.7 p -148.42 22.81 1.04 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.262 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -85.44 -58.48 2.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.246 0.546 . . . . 0.0 110.501 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -126.4 -20.5 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.973 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -97.59 162.73 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.1 t -135.99 169.46 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.994 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 11.9 t80 -136.19 123.24 21.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -75.36 132.7 41.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -117.4 130.2 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.322 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -100.55 130.27 46.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.01 146.98 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 0.0 110.459 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 60' ' ' GLU . 8.5 p -124.64 135.97 62.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -134.51 97.96 3.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.824 0.345 . . . . 0.0 110.266 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 52.09 34.87 15.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.444 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.45 -122.82 0.66 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.992 -1.099 . . . . 0.0 113.869 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.0 pt-20 -102.37 156.15 17.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -173.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 117.13 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.235 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.7 t -107.44 144.45 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.527 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.6 125.27 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.371 0.605 . . . . 0.0 109.92 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -122.02 149.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.633 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -124.37 117.1 23.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.319 -176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 31' ' ' THR . 4.4 mm -108.07 112.91 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.584 0.231 . . . . 0.0 110.775 -174.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.574 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 25.5 tp -95.7 128.05 42.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.446 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.565 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 32.5 t0 -92.2 -174.91 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -149.44 139.11 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.512 -0.742 . . . . 0.0 112.719 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' H ' HG21 ' A' ' 78' ' ' ILE . . . -85.02 100.49 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 163.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 1.056 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -75.48 76.14 1.34 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.92 -174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.14 171.05 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.697 0.284 . . . . 0.0 110.626 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.33 -29.53 22.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.12 -68.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.052 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.577 ' H ' HD13 ' A' ' 72' ' ' LEU . 32.7 m-85 -86.69 76.3 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.538 -175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.91 -18.99 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.789 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.47 -7.15 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.054 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.506 HG21 ' H ' ' A' ' 70' ' ' ALA . 38.5 mt -102.87 -43.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.622 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -91.35 -63.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.942 0.401 . . . . 0.0 110.619 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -67.14 -49.51 64.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.409 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.71 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 46.1 m-80 -72.77 -35.21 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -74.6 -36.6 62.99 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -58.03 -25.64 61.41 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.734 0.302 . . . . 0.0 111.593 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -48.88 -56.97 7.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.287 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.586 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.8 t -96.88 24.57 6.03 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.169 0.509 . . . . 0.0 111.15 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.715 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.58 141.2 15.44 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.332 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 42.7 mt-10 -89.39 -75.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -104.06 146.07 16.23 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.328 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.39 129.31 51.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.294 0.568 . . . . 0.0 111.256 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.06 102.58 14.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.792 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 20' ' ' VAL . 81.9 mt -78.94 105.07 10.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -111.62 134.41 54.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.119 0.485 . . . . 0.0 111.1 -177.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -145.38 163.74 33.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.311 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB3' ' HD3' ' A' ' 129' ' ' LYS . 5.6 p -105.05 139.39 39.81 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.297 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.56 11.19 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.79 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 132' ' ' LEU . 29.7 p -103.49 -50.04 3.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.074 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.55 99.31 10.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -61.23 -25.85 67.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.583 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -33.09 71.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.999 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 m -68.86 -36.57 78.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.053 0.454 . . . . 0.0 110.212 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.57 -38.2 86.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 m -65.92 -37.23 85.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.09 -14.75 61.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.7 p -57.14 -39.5 75.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 111.417 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.42 -39.8 85.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.477 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.34 -44.45 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.86 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.544 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.3 m-85 -57.58 -51.15 70.68 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.391 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -59.24 -53.75 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.42 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.11 -31.14 72.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.636 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.37 -33.3 71.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.41 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.6 mt -64.8 -43.07 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.853 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.49 -17.48 61.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -72.47 -36.03 68.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.908 0.385 . . . . 0.0 110.551 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.5 m -98.09 -6.82 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.446 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 114' ' ' VAL . 25.0 mtpp -137.51 -140.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.97 6.15 5.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 112.832 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -112.57 16.19 19.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.653 0.74 . . . . 0.0 109.567 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.18 -155.75 0.58 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.514 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.15 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.228 0.467 . . . . 0.0 111.566 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 120' ' ' LYS . 12.8 mmmm -145.04 148.14 33.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.142 0.496 . . . . 0.0 111.085 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.9 mt -113.62 109.76 50.43 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.372 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.9 Cg_endo -85.66 127.81 3.27 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.962 2.441 . . . . 0.0 112.327 174.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.415 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -123.28 122.64 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.619 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.0 tp -113.25 122.96 49.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.5 t -91.91 121.83 42.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.144 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.795 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -117.12 130.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.592 -176.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.19 119.94 6.35 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.137 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 61.5 t30 -105.27 166.98 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.6 mptm? 81.22 14.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.098 0.959 . . . . 0.0 111.338 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m -72.05 -3.81 25.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.876 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 3.1 p30 -86.43 -1.87 57.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.905 HD21 ' HB2' ' A' ' 135' ' ' ARG . 3.5 tp -98.58 -60.73 1.49 Allowed 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.408 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 38.3 tt0 69.87 -48.64 0.62 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.845 0.858 . . . . 0.0 112.473 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.607 ' HG2' ' HG3' ' A' ' 135' ' ' ARG . 3.3 tt0 -55.41 -48.14 74.84 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.508 0.723 . . . . 0.0 111.971 -173.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.905 ' HB2' HD21 ' A' ' 132' ' ' LEU . 66.7 mtt180 -103.08 33.51 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -175.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -64.59 113.97 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.959 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -91.42 -12.27 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.773 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.85 118.92 11.42 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.481 . . . . 0.0 110.446 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.06 135.9 53.59 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.921 2.414 . . . . 0.0 112.552 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -63.09 -21.87 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.86 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.66 -56.03 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.11 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.74 -22.91 49.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.998 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -66.37 -39.63 89.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtp180 -67.42 -32.39 73.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.36 0.6 . . . . 0.0 110.381 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 24.6 t -75.72 -19.39 59.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.076 -176.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.484 ' HA ' ' OE2' ' A' ' 149' ' ' GLU . 12.1 tppt? -72.91 -41.51 64.51 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.766 175.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.75 74.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.051 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 145' ' ' SER . 33.9 tt0 -60.65 -38.18 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.795 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.484 ' OE2' ' HA ' ' A' ' 146' ' ' LYS . 47.2 mt-10 -57.8 -42.0 83.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -90.84 -15.34 30.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.172 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.91 32.83 43.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.951 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.85 -174.93 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-O 120.569 0.223 . . . . 0.0 110.816 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.776 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -104.33 147.33 27.63 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.802 178.408 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -127.17 120.29 28.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.153 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.75 136.24 60.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.28 147.26 26.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.761 0.315 . . . . 0.0 110.47 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 11.0 p -130.89 148.01 52.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.435 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.876 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.1 m -138.25 100.26 4.08 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.22 -25.9 66.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.612 -173.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.54 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.5 t -119.96 8.66 11.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.142 0.496 . . . . 0.0 110.365 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 60.59 30.07 19.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.794 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -77.19 117.15 18.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.432 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.8 13.36 8.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.187 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.41 HG22 HD22 ' A' ' 30' ' ' LEU . 95.8 t -63.08 -49.84 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.858 0.361 . . . . 0.0 110.643 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -76.91 -26.95 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.66 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.964 -175.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.13 -25.67 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -72.66 -56.21 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.46 -37.4 83.48 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.593 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -46.53 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.396 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 176' ' ' ILE . 43.6 tp -69.76 -36.56 75.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 64' ' ' ILE . 66.8 mtp -58.94 -32.44 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.297 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -72.66 -42.37 64.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.117 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -59.98 -35.61 75.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 75.5 mt -56.4 -33.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -60.46 -51.49 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.283 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.3 m -55.4 -47.44 75.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.231 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -69.88 -47.25 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.606 ' HD3' HD23 ' A' ' 12' ' ' LEU . 10.2 tttp -61.29 -34.95 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 94.9 mtp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.925 179.797 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.7 m . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 120.599 0.238 . . . . 0.0 111.477 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.29 -31.76 72.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.91 41.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.58 -37.75 95.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.095 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 33.6 mm -55.94 -53.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.504 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 65.2 mttm -59.52 -40.07 85.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.369 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.93 -40.03 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.0 mt-10 -74.87 -31.57 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.074 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.596 HG12 ' HB3' ' B' ' 439' ' ' LEU . 80.6 mt -56.3 -50.02 73.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 76.6 mtp180 -55.4 -42.66 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.4 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -60.3 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.293 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.612 ' HB2' HD13 ' B' ' 436' ' ' LEU . 74.5 mm-40 -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -173.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.445 ' OE2' HD21 ' B' ' 436' ' ' LEU . 3.8 mm-40 -59.62 -37.95 80.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.796 0.331 . . . . 0.0 110.406 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -67.55 -48.51 66.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.038 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.42 ' HB2' HG21 ' B' ' 432' ' ' VAL . 7.0 mp -56.36 -48.59 76.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.486 0.184 . . . . 0.0 111.44 175.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' B' ' 409' ' ' LEU . 1.8 tm? -55.78 -48.72 74.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 109.714 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.85 -48.26 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.269 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.6 t -62.01 -53.2 58.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.656 HD11 ' HG3' ' B' ' 428' ' ' ARG . 37.0 mt -54.0 -35.25 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.541 ' CD2' HD21 ' B' ' 429' ' ' LEU . 4.1 m-70 -66.44 -46.21 77.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.049 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -74.13 -33.6 63.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.601 0.239 . . . . 0.0 111.44 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.167 0.508 . . . . 0.0 110.348 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.709 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.6 mp -74.3 -27.16 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.284 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -27.96 55.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.84 -14.09 82.48 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.09 -0.505 . . . . 0.0 113.138 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.02 2.3 39.15 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.102 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.09 121.42 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 19.3 pttp -130.26 142.99 50.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.126 0.965 . . . . 0.0 112.912 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.4 t70 -149.14 163.99 36.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.778 -1.555 . . . . 0.0 106.886 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.77 -28.41 67.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.344 0.593 . . . . 0.0 109.781 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 13.0 m -63.26 -42.49 99.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.4 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.733 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -72.75 -37.17 67.78 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.733 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -73.6 -38.0 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.41 -37.25 77.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.346 0.593 . . . . 0.0 109.559 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.656 ' HG3' HD11 ' B' ' 412' ' ' LEU . 14.0 tpp180 -68.02 -37.88 81.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.694 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' B' ' 413' ' ' HIS . 0.5 OUTLIER -56.86 -50.86 71.18 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.725 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 70.1 m95 -68.13 -32.89 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.504 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.653 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -63.02 -55.89 21.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.07 0.231 . . . . 0.0 111.024 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.587 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.4 p -60.91 -34.03 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 109.897 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.2 tp60 -55.92 -53.67 54.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.5 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.725 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.3 OUTLIER -70.73 -27.35 63.9 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.062 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 432' ' ' VAL . 61.6 mt -67.62 -48.25 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.685 ' HG ' ' HE3' ' B' ' 440' ' ' LYS . 28.7 tp -62.15 -45.92 91.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.67 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.626 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.2 t -67.51 -34.53 77.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.636 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.92 -37.58 75.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.169 175.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -56.44 -47.62 78.73 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.406 176.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.685 ' HE3' ' HG ' ' B' ' 436' ' ' LEU . 92.9 mttt -66.01 -34.93 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.935 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -64.17 -44.99 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -60.51 -32.46 71.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.068 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 58.6 tp -61.2 -48.61 80.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.915 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -77.6 -11.34 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.48 -30.71 23.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.049 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.841 -179.782 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 180' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.235 0.298 0 CA-C-O 121.216 0.531 . . . . 0.0 110.488 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.13 16.56 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.518 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.809 HD21 HH22 ' B' ' 434' ' ' ARG . 57.4 tp -119.91 116.67 26.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.197 176.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 22.7 m-70 -127.94 152.3 48.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -122.43 124.31 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.844 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.19 110.06 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.003 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 89' ' ' PHE . 64.9 mt -96.89 128.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 52.5 tpp -83.53 103.36 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.605 HG23 HD23 ' A' ' 91' ' ' LEU . 6.0 m -95.72 110.69 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.844 0.83 . . . . 0.0 111.988 -172.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 27' ' ' LYS . . . -168.53 163.53 37.25 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.296 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.827 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 16.2 m -104.13 9.79 36.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 117.533 0.667 . . . . 0.0 110.398 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -153.04 17.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.0 3.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.043 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 93' ' ' PHE . 20.4 m -81.79 -37.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.99 -63.08 0.56 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.028 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA3' ' A' ' 21' ' ' GLY . 43.4 mtmt 71.86 -53.8 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.947 1.299 . . . . 0.0 111.352 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 4.7 m -75.64 -20.73 58.29 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.532 -172.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.49 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.64 -41.61 60.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.442 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' A' ' 40' ' ' VAL . 84.7 mt -58.25 -27.61 64.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.933 HE22 ' HA ' ' A' ' 39' ' ' PHE . 64.2 mm-40 -66.95 -38.13 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.64 0.733 . . . . 0.0 109.786 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.43 -17.94 61.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.246 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.42 -44.1 3.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -105.73 -4.42 20.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 73.38 -37.78 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.754 0.659 . . . . 0.0 112.497 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -97.44 165.2 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.322 0.582 . . . . 0.0 111.62 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.933 ' HA ' HE22 ' A' ' 33' ' ' GLN . 26.0 t80 -76.34 150.81 36.82 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.349 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HD12 ' A' ' 32' ' ' LEU . 3.3 p -76.9 126.35 37.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.947 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -85.6 -51.03 6.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -158.2 129.55 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -171.99 91.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.9 mt-10 -81.03 -55.95 0.64 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.7 Cg_exo -60.54 111.34 1.0 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.171 1.914 . . . . 0.0 112.663 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 30.01 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -78.82 -56.11 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.583 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.49 15.99 24.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.576 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.21 115.98 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.9 t -143.35 137.76 28.98 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.257 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -124.46 125.93 45.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.216 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -95.35 105.54 17.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -97.82 137.83 36.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.914 -171.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -98.62 120.03 38.34 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.914 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.96 144.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 p -115.75 106.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.726 0.774 . . . . 0.0 110.151 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 170' ' ' PHE . 86.8 mt -93.0 99.59 12.18 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.105 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 74.14 -32.69 0.24 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.491 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.24 -52.3 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.23 -1.462 . . . . 0.0 114.772 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.85 140.81 29.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.996 0.898 . . . . 0.0 111.745 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.33 111.07 9.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.22 140.65 23.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.334 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.46 128.05 56.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -122.87 124.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.804 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.603 ' HB3' ' HZ3' ' B' ' 430' ' ' TRP . 36.8 m-20 -87.24 120.31 28.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.12 128.48 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.888 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 82' ' ' TYR . 21.2 tp -132.67 140.55 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.615 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -92.12 -41.42 10.49 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.331 0.253 . . . . 0.0 111.595 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 78' ' ' ILE . 32.6 p 65.66 152.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.621 1.168 . . . . 0.0 112.268 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -98.37 131.09 44.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.827 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -95.55 65.45 1.24 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.067 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -159.28 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.47 -20.22 61.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.551 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -58.4 -47.89 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.506 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.2 m-85 -117.65 65.87 0.74 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.56 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.74 67.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.723 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -70.49 -12.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.049 0.452 . . . . 0.0 111.08 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 69' ' ' THR . 16.6 mt -98.48 -28.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 26.1 tpt180 -92.55 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.79 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.29 -48.35 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.43 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.723 HD22 ' HA ' ' A' ' 77' ' ' ALA . 91.6 m-20 -69.43 -15.7 63.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.492 -171.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -89.47 -3.58 58.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.808 -0.557 . . . . 0.0 112.048 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -76.22 -27.2 56.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD2' ' HD2' ' A' ' 115' ' ' LYS . 12.3 mmm180 -59.4 -55.34 35.99 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.648 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 31.4 m -80.9 36.59 0.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 111.292 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.29 118.9 3.8 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.867 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 34.2 mt-10 -81.17 -63.43 1.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.27 148.14 17.06 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.461 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.9 m-85 -129.87 123.15 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.274 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.77 127.37 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 20' ' ' VAL . 72.4 mt -100.12 106.54 18.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.513 177.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -117.68 129.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.002 0.43 . . . . 0.0 110.657 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' HG11 ' A' ' 25' ' ' VAL . 25.1 p90 -144.96 157.3 44.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.194 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 128' ' ' ASN . 7.7 p -94.75 132.49 39.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.99 177.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.518 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.94 15.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.724 HG21 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -103.61 -14.61 16.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.95 174.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -114.36 100.8 8.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.514 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.459 ' HA ' HG22 ' A' ' 138' ' ' VAL . 26.4 t-80 -65.45 -23.43 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.33 -46.38 83.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.139 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -63.61 -34.21 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.617 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 65.4 t80 -64.88 -48.52 73.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -28.32 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.675 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.25 -15.64 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.326 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.607 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.9 p -59.09 -33.4 70.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 111.257 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.57 81.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.118 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.581 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.607 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -57.71 -51.36 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.653 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -68.04 -49.87 58.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.1 mt-10 -63.77 -37.33 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.044 -174.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.03 -30.51 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 0.0 110.427 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.6 mt -63.26 -48.55 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.099 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.33 -21.14 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.533 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 28.1 mmm180 -66.66 -30.35 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.475 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.6 m -117.66 -3.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.059 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HD2' ' HD2' ' A' ' 84' ' ' ARG . 12.8 mmmm -122.5 -142.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.826 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.43 23.06 2.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.424 0.69 . . . . 0.0 111.72 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.55 -13.94 12.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.219 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -86.06 -170.43 3.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.991 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -68.21 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.929 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 25.0 mmtm -153.38 127.61 9.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 111.122 -175.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.5 mt -94.52 106.78 25.77 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.116 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 74.1 Cg_endo -87.76 133.6 3.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.981 2.454 . . . . 0.0 112.259 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.3 131.4 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.265 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.768 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -116.35 120.85 40.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.576 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.411 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.7 t -86.96 117.78 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.05 -178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.648 ' HB ' HG12 ' A' ' 92' ' ' VAL . 26.4 t -108.54 118.28 55.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.089 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.88 94.79 1.68 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.629 HD21 ' HB2' ' A' ' 159' ' ' ALA . 3.7 t-20 -93.77 163.15 13.64 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -176.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 1.7 mptm? 71.81 24.05 3.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -70.92 1.01 6.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.371 0.605 . . . . 0.0 110.236 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -22.15 64.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.718 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.724 HD13 HG21 ' A' ' 96' ' ' THR . 31.3 mt -75.83 -56.63 4.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.149 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 67.91 -71.6 0.11 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.779 0.674 . . . . 0.0 112.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.31 -30.6 71.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 96' ' ' THR . 62.5 mtp180 -89.05 11.67 17.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -57.81 114.14 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 111.482 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 34.9 tt0 -95.75 -30.45 13.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 98' ' ' HIS . 85.0 t -88.05 111.94 46.04 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.275 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 39.2 Cg_exo -60.26 114.28 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.107 1.871 . . . . 0.0 110.877 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -54.91 -25.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.778 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.59 -51.67 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.638 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.58 -30.3 46.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -58.55 -51.13 71.19 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.977 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -69.29 -36.19 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 15.8 t -62.86 -25.41 68.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.512 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 42.8 mmtt -70.84 -37.5 73.15 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.975 -0.453 . . . . 0.0 111.057 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.17 93.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.555 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 145' ' ' SER . 27.1 tt0 -59.12 -46.08 89.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.805 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.95 -44.39 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -85.74 -13.16 49.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.447 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.11 39.31 20.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.153 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.4 m -127.61 -173.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.768 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -106.86 157.7 17.56 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.17 0.51 . . . . 0.0 111.086 178.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -129.39 114.88 16.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.638 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.87 125.38 70.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.04 128.44 34.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.0 p -127.8 135.75 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.404 0.621 . . . . 0.0 112.661 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 38.4 t -95.88 114.69 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.758 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 128' ' ' ASN . . . -84.87 -13.74 50.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -78.41 -33.62 48.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 110.103 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.4 p -95.8 -10.39 29.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.733 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 62.18 37.0 14.66 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.416 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.63 130.14 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.474 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 62.19 16.23 8.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.686 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 168' ' ' VAL . 78.1 t -71.28 -40.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.171 0.51 . . . . 0.0 110.026 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.26 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.2 -50.83 71.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.025 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 165' ' ' VAL . 22.4 m -60.97 -28.04 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -76.09 -50.1 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.498 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 18.6 m-85 -65.56 -48.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.7 -177.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -44.13 92.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.612 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 176' ' ' ILE . 32.5 tp -63.14 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 0.0 110.238 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 64' ' ' ILE . 72.5 mtm -66.33 -31.21 71.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 14.0 mmt180 -67.31 -41.96 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.492 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.17 -36.6 80.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.404 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.608 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 74.9 mt -61.68 -36.54 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 12.6 mtt180 -52.66 -43.1 65.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.183 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -55.0 -43.01 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.548 0.53 . . . . 0.0 111.847 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -73.04 -34.01 66.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.727 0.299 . . . . 0.0 110.782 -178.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 28.4 mmmt -64.93 -45.23 86.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.061 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.434 ' HE2' HD21 ' A' ' 12' ' ' LEU . 58.1 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.242 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.447 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.5 m . . . . . 0 N--CA 1.449 -0.508 0 CA-C-O 120.93 0.395 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -62.58 -35.88 80.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.961 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.55 -50.28 73.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.313 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.21 -39.16 97.31 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.953 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.525 ' O ' HG13 ' B' ' 402' ' ' ILE . 37.9 mm -58.98 -47.99 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.97 -36.55 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.7 mt-10 -62.1 -45.13 94.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 110.178 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.587 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 6.6 tp10 -67.46 -39.14 85.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.9 mt -57.91 -43.83 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -56.62 -42.35 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.976 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.587 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 30.1 ttm180 -63.1 -45.36 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.684 HE21 HG23 ' B' ' 432' ' ' VAL . 14.9 mm100 -74.61 -37.2 62.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.993 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' B' ' 436' ' ' LEU . 70.1 mt-10 -65.45 -35.42 80.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.102 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.96 -50.27 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.506 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' B' ' 432' ' ' VAL . 85.1 mt -57.68 -47.69 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.426 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 409' ' ' LEU . 2.2 tm? -62.8 -49.05 76.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.195 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -60.25 -50.6 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.172 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 38.5 m -61.01 -46.02 92.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 53.0 mt -60.0 -44.05 94.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 0.0 110.733 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.416 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.9 m170 -59.84 -48.97 79.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.031 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 414' ' ' ARG . 40.0 mtp180 -67.34 -36.25 81.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.662 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.08 -45.74 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.533 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.811 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 33.8 mt -75.15 -34.35 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.122 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 3.4 mt-30 -68.05 -9.84 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.32 -12.44 83.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.905 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.43 -1.52 25.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.619 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.811 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 38.7 mt -108.74 143.33 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.557 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 45.3 pttt -155.4 169.05 25.14 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.583 0.706 . . . . 0.0 110.962 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.629 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 26.8 t70 -147.63 170.07 18.3 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.14 -33.94 75.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.118 0.485 . . . . 0.0 109.791 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.2 m -63.55 -33.87 76.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.585 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.629 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 53.5 mmtt -64.06 -54.45 33.92 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.431 0.634 . . . . 0.0 110.843 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.46 -36.88 85.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.706 -174.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.0 mm-40 -66.77 -50.01 64.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.21 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.581 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 22.8 mmt180 -61.28 -34.69 75.6 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.172 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.6 mt -55.08 -56.26 21.86 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.587 0.555 . . . . 0.0 110.787 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 35.6 m95 -61.11 -35.86 78.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.963 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.581 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 49.2 mt-10 -64.86 -56.59 12.47 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.368 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.684 HG23 HE21 ' B' ' 405' ' ' GLN . 6.0 p -64.98 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 110.055 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -55.26 -55.37 32.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.162 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.809 HH22 HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.12 -27.2 63.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -177.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 432' ' ' VAL . 83.0 mt -66.58 -47.8 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.535 ' O ' ' HD3' ' B' ' 440' ' ' LYS . 34.9 tp -58.51 -44.4 89.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.46 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.8 t -70.57 -38.23 74.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.58 -35.34 78.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.307 0.575 . . . . 0.0 109.497 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.512 HD12 ' HD3' ' B' ' 442' ' ' LYS . 36.5 tp -68.91 -35.15 76.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.414 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' B' ' 436' ' ' LEU . 4.9 mptp? -60.68 -34.97 75.12 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.491 0.662 . . . . 0.0 109.744 171.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.7 tmt_? -65.83 -41.05 92.28 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.698 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 26.3 mtpp -59.83 -30.68 69.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.924 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.22 -41.26 94.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.361 0.6 . . . . 0.0 109.755 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.94 -1.9 53.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.666 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.698 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 43.8 tt0 -94.15 -26.43 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.974 -175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.582 -179.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 180' ' ' LYS . 68.7 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.26 -2.77 54.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.474 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -116.07 134.31 55.09 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.819 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -137.27 132.21 33.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.493 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -114.15 110.17 19.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.589 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.67 156.94 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.956 0.408 . . . . 0.0 111.533 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 89' ' ' PHE . 53.9 mt -130.33 135.13 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.86 121.12 33.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.946 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG21 HD23 ' A' ' 91' ' ' LEU . 34.2 m -119.48 170.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.743 0.306 . . . . 0.0 111.02 -178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 25' ' ' VAL . . . 154.49 -178.94 30.99 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 p -83.28 -15.35 50.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.656 0.741 . . . . 0.0 110.341 -175.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.08 -55.42 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.757 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 43.73 2.98 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 121.187 0.326 . . . . 0.0 112.38 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 21' ' ' GLY . 28.2 m -117.18 -5.91 11.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.46 -0.435 . . . . 0.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 43.2 45.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.461 175.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -56.42 -53.81 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.457 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -71.71 -21.46 61.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.571 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -43.44 73.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.165 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD22 HG13 ' A' ' 165' ' ' VAL . 92.9 mt -73.42 -35.73 65.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.245 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 39.9 p -72.53 -42.91 64.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -53.09 -46.81 68.81 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.234 175.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.21 -33.94 76.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.568 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.66 -40.74 84.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 39.7 ttm -82.3 -51.79 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.38 -4.88 28.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -170.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.17 22.52 13.2 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.102 0.477 . . . . 0.0 111.221 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.62 161.98 35.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.633 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.4 147.19 29.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.419 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.6 p -60.41 110.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 0.0 111.588 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.25 -56.15 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.221 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -136.38 106.61 6.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.72 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -175.45 91.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.599 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 44.3 mt-10 -81.44 -60.81 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.864 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -72.05 142.99 39.46 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.703 1.602 . . . . 0.0 112.556 -173.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -154.41 44.29 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.423 171.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 78' ' ' ILE . 49.9 mtmt -85.87 -47.78 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -120.19 16.31 12.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.797 0.808 . . . . 0.0 109.399 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 5.3 m-20 -86.34 88.28 7.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.682 -172.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 4.1 t -91.34 137.15 32.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.006 169.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -132.95 103.9 6.29 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.301 0.572 . . . . 0.0 109.932 177.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -77.16 120.24 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.26 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 55.9 tptt -104.87 122.65 46.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.676 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -88.97 125.64 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.878 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.423 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.5 m -129.3 142.84 42.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 9.6 p -100.72 114.94 41.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.7 0.762 . . . . 0.0 110.21 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.421 HD11 ' SD ' ' A' ' 173' ' ' MET . 81.5 mt -102.49 104.4 14.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.524 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 73.3 -25.15 0.19 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 124.118 0.886 . . . . 0.0 112.385 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.13 -30.82 0.13 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.659 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.41 137.49 33.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 77.9 mt-10 -84.66 113.36 21.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.37 0.605 . . . . 0.0 109.486 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -106.38 138.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.49 -174.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.1 117.87 31.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 110.832 -174.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 tt -111.23 129.3 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.477 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -90.63 123.26 34.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.172 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -108.33 112.41 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.84 0.352 . . . . 0.0 110.52 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD12 ' CH2' ' B' ' 430' ' ' TRP . 11.0 mt -105.34 123.08 47.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.603 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -102.13 148.06 25.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.843 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 p -114.92 148.22 38.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.885 0.374 . . . . 0.0 111.294 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.48 164.54 18.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.95 53.64 0.74 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.725 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.76 171.83 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.907 0.384 . . . . 0.0 111.329 -177.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -14.15 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -53.56 -65.52 0.55 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.831 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.453 ' HB3' HD12 ' A' ' 78' ' ' ILE . 71.3 m-85 -77.91 71.46 4.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.35 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -62.02 -23.61 66.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.083 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.1 -7.02 51.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.652 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 47' ' ' LYS . 68.1 mt -110.03 -31.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.97 0.414 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 2.7 ptm180 -91.67 -64.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.491 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.97 -51.75 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.397 . . . . 0.0 111.04 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.599 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.4 m-20 -70.08 -18.29 63.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.999 -172.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.2 m-30 -83.11 -26.34 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 19.7 m-30 -61.62 -24.03 66.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.511 ' HG3' ' OE2' ' B' ' 426' ' ' GLU . 3.9 tmt_? -51.33 -58.34 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.887 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.17 25.67 8.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.117 0.484 . . . . 0.0 110.975 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.73 164.1 30.04 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.609 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 39.3 mt-10 -119.73 -71.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.345 0.572 . . . . 0.0 110.191 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.43 130.08 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.998 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.2 m-85 -116.49 117.3 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.159 0.504 . . . . 0.0 111.192 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.8 mt -94.71 106.53 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.922 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 123' ' ' LEU . 28.1 mt -86.96 105.39 17.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.34 131.17 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.321 0.582 . . . . 0.0 110.403 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 30.7 p90 -138.28 175.97 9.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.871 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -115.78 145.64 42.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.808 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.622 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -85.05 0.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.283 -174.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -97.42 -61.26 1.42 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.357 176.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -70.33 103.89 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.432 0.634 . . . . 0.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.9 -28.49 68.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.565 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -64.6 -27.62 69.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -75.88 -34.94 60.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.393 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -73.87 -32.98 63.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 110.609 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.9 63.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.151 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.4 p -57.85 -43.2 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.65 -33.6 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.65 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.02 -40.89 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.387 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -58.4 -45.69 87.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.05 0.452 . . . . 0.0 110.049 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -54.98 -52.97 61.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.18 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.62 -31.61 71.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.39 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -39.36 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.471 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.375 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.95 -26.34 64.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.178 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 113' ' ' ARG . 23.5 ttt180 -62.91 -36.4 83.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.5 m -93.96 3.17 8.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.214 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.536 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 49.9 mttm -128.24 -90.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.73 0.44 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -110.94 75.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.684 0.754 . . . . 0.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.536 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 9.9 pt-20 -143.13 -164.82 1.93 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.252 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -67.01 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.775 0.261 . . . . 0.0 111.145 -172.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.931 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.8 mmmt -141.96 149.96 40.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.5 mt -119.52 93.21 47.11 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.786 0.326 . . . . 0.0 110.292 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.538 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 72.4 Cg_endo -84.38 121.24 2.61 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.211 2.607 . . . . 0.0 113.095 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.562 HD23 HD11 ' A' ' 91' ' ' LEU . 6.7 mp -116.27 157.91 24.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.669 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 125' ' ' VAL . 5.2 tt -147.76 132.09 17.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.48 HG23 HG21 ' A' ' 152' ' ' VAL . 17.8 t -98.11 121.34 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.239 0.543 . . . . 0.0 110.943 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.92 124.13 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.568 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.76 103.73 2.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.676 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.8 t30 -98.08 170.08 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 69.85 18.61 7.32 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.588 0.555 . . . . 0.0 110.773 -174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -61.16 -13.52 18.4 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.358 0.599 . . . . 0.0 110.06 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 158' ' ' SER . 1.6 m-20 -63.84 -19.18 64.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.938 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' CG2' ' A' ' 96' ' ' THR . 29.9 mt -72.47 -55.19 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.493 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 65.75 -73.54 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.778 0.674 . . . . 0.0 112.203 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.55 -28.76 65.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.784 0.326 . . . . 0.0 111.421 -175.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 44.9 mtp180 -86.22 4.5 38.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.311 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 136' ' ' ARG . 39.9 ttp180 -58.35 113.58 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -95.96 -22.78 17.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.06 117.16 52.41 Favored Pre-proline 0 C--N 1.322 -0.598 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.178 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.17 126.2 21.72 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -59.82 -24.78 30.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.616 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.579 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.68 -43.91 62.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.514 0.673 . . . . 0.0 110.184 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.92 79.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.954 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 12.7 mtp85 -71.71 -32.2 67.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.2 t -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 30.2 mmtp -68.11 -33.89 75.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.627 0.251 . . . . 0.0 111.147 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.93 -44.6 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 110.092 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -64.99 -32.71 74.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.241 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.94 -45.99 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.27 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -84.39 -26.19 28.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.15 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.47 36.18 3.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.985 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 125' ' ' VAL . 29.3 m -129.77 -178.96 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-O 120.617 0.246 . . . . 0.0 110.51 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -107.81 141.7 38.99 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 92.5 t80 -104.16 119.88 39.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.463 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.71 131.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.707 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -85.7 115.77 23.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.884 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' ' 163' ' ' ALA . 31.9 p -115.51 129.74 56.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 111.715 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.429 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 11.4 m -112.2 111.25 22.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.943 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.02 -7.87 59.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -171.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -92.85 -4.0 53.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.1 t -144.25 -1.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.311 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 59.36 84.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 157' ' ' THR . . . -120.36 107.81 13.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.174 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 64.64 17.88 11.13 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.735 0.647 . . . . 0.0 111.858 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.434 HG13 HD22 ' A' ' 30' ' ' LEU . 91.8 t -62.55 -52.12 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.83 -19.96 59.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.786 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 61.9 tttp -60.18 -47.73 84.7 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.276 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -60.07 -29.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -75.52 -54.17 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.863 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.52 -38.71 90.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 111.368 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.8 OUTLIER -63.66 -51.05 66.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.467 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -67.38 -29.86 69.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.421 ' SD ' HD11 ' A' ' 57' ' ' LEU . 20.2 ttm -64.77 -33.97 77.23 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -67.12 -44.78 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.6 mt-10 -62.63 -31.81 72.73 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 172' ' ' LEU . 74.6 mt -59.09 -30.72 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.535 0.207 . . . . 0.0 110.986 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -64.2 -42.66 96.52 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 m -66.95 -35.43 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.305 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.931 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.4 mptt -68.08 -31.79 71.66 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.404 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 63.5 mmtt -72.05 -34.06 68.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.458 . . . . 0.0 110.056 174.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.1 mtm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 -176.142 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 20.6 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.069 0.461 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.99 -27.13 68.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.82 -53.25 60.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.309 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.45 96.41 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.038 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.573 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.5 mm -60.42 -52.64 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.367 0.127 . . . . 0.0 110.953 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.89 -42.64 90.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.65 0.262 . . . . 0.0 111.536 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.1 mm-40 -66.44 -39.99 89.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.573 ' HB3' HD21 ' B' ' 439' ' ' LEU . 1.8 tp10 -67.7 -35.04 78.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.059 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 398' ' ' ILE . 79.2 mt -61.74 -52.41 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.427 HH21 ' CD ' ' B' ' 400' ' ' GLU . 62.0 mtm180 -61.77 -29.96 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.669 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 401' ' ' GLU . 73.2 ttt180 -63.45 -49.77 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.643 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' B' ' 436' ' ' LEU . 13.3 mm100 -71.89 -33.82 68.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.83 -44.7 93.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.71 -48.09 80.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.17 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.715 ' HB2' HG21 ' B' ' 432' ' ' VAL . 44.2 mt -59.83 -51.39 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.51 HD23 ' HB1' ' A' ' 48' ' ' ALA . 21.2 tp -62.67 -46.72 86.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.516 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -56.92 -48.72 77.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.421 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.44 -54.53 45.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 65.9 mt -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.89 -44.09 91.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.03 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -77.18 -44.63 29.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.643 0.259 . . . . 0.0 111.326 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.554 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.691 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 42.9 mt -71.04 -26.22 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -64.5 -19.14 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.115 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.17 88.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.462 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.54 -15.39 53.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.975 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.1 mt -86.22 124.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.595 ' HA ' HD22 ' B' ' 416' ' ' LEU . 24.4 pttm -148.01 152.59 37.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.046 0.451 . . . . 0.0 110.305 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.504 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.2 t70 -148.37 162.01 40.42 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.411 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.5 mp -65.37 -28.03 68.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.907 0.384 . . . . 0.0 110.829 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 18.5 p -63.5 -35.63 81.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.137 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.504 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.2 mmtt -73.31 -47.89 38.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.558 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.511 ' OE2' ' HG3' ' A' ' 84' ' ' ARG . 31.1 mt-10 -60.83 -47.42 86.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.281 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.33 -34.79 70.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.8 tpt180 -64.96 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.907 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.601 HD11 HD12 ' B' ' 416' ' ' LEU . 15.9 mt -56.54 -57.73 11.07 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.923 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.577 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 36.2 m95 -64.55 -31.55 72.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.514 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 38.1 tt0 -67.29 -56.33 10.22 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' B' ' 408' ' ' LEU . 9.9 p -63.78 -32.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.314 0.578 . . . . 0.0 109.678 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 24.3 tp60 -56.45 -57.74 10.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.806 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -63.36 -27.96 69.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.278 -176.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.9 mt -70.6 -49.77 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.441 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 33.0 tp -58.27 -39.53 79.46 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.1 t -71.47 -42.53 68.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.647 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.26 -34.5 78.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.379 0.609 . . . . 0.0 109.634 176.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' B' ' 401' ' ' GLU . 21.9 tp -69.24 -32.57 71.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.03 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 34.7 mmtp -60.75 -37.02 80.39 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.432 0.634 . . . . 0.0 109.575 171.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 4.6 tmt_? -63.78 -40.61 97.09 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 20.2 mtpp -64.67 -27.67 69.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.957 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' B' ' 402' ' ' ILE . 40.8 tp -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -83.71 -1.67 54.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.046 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.688 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 31.2 tt0 -85.81 -54.27 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.884 -177.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.933 -176.641 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 121.046 0.451 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.587 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -83.56 18.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.138 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' O ' ' HE3' ' A' ' 180' ' ' LYS . 62.6 tp -130.78 129.57 42.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.76 148.92 46.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.569 0.223 . . . . 0.0 110.837 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -118.94 119.55 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.005 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -125.09 123.78 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' CE1' ' A' ' 89' ' ' PHE . 66.4 mt -109.51 129.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mmm -87.31 101.54 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.802 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.68 139.41 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.108 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.66 146.4 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.917 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 7.7 t -80.53 94.02 6.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 95.53 -72.08 0.94 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.56 105.72 0.33 Allowed Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.086 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 93' ' ' PHE . 60.4 t -74.56 -75.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.889 0.375 . . . . 0.0 110.298 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.48 33.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.948 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 17.0 pttp -79.29 -8.81 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -79.06 -29.58 43.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.087 0.47 . . . . 0.0 110.26 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.07 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.038 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.83 -45.91 88.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.427 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.455 HG21 HG21 ' A' ' 66' ' ' ILE . 36.2 p -76.52 -39.23 53.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.469 -175.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 40' ' ' VAL . 21.9 tp -55.24 -41.05 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 110.843 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.75 -30.81 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -72.3 -49.18 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.638 ' SD ' HD12 ' A' ' 66' ' ' ILE . 3.8 mpp? -70.4 -45.98 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 96.9 m-85 -96.46 -88.85 0.27 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.648 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 34.6 t70 168.6 -30.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.077 0.465 . . . . 0.0 111.27 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.56 150.51 20.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.211 0.529 . . . . 0.0 111.498 -171.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -76.1 138.76 40.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.415 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' HB ' HD23 ' A' ' 32' ' ' LEU . 7.1 p -67.18 119.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.513 0.673 . . . . 0.0 111.509 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -94.01 -48.43 6.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.145 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -145.76 136.0 23.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.162 171.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -171.26 91.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 15.2 mm-40 -66.66 -56.88 13.32 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -167.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 51.2 Cg_exo -51.59 -93.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 122.771 2.314 . . . . 0.0 114.664 -168.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.742 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 18.0 p 48.84 34.32 5.23 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -86.36 -47.43 9.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.353 0.597 . . . . 0.0 109.415 171.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.5 12.88 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.742 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.3 m-20 -73.33 93.75 1.95 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.923 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 18.9 m -108.87 174.51 5.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.51 -0.768 . . . . 0.0 108.94 176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 13.0 t80 -156.1 140.05 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -99.78 112.42 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 58.6 tptt -109.84 140.6 43.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.308 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 9.0 ttmt -109.55 127.59 54.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.1 m -139.43 149.25 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.449 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.6 p -120.27 138.77 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.075 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 44.1 mt -139.23 124.25 18.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.555 169.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 6.5 t70 83.12 -49.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.169 0.918 . . . . 0.0 112.9 175.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.66 -71.61 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 118.874 -1.631 . . . . 0.0 114.841 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.7 pt-20 -92.55 139.48 30.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.82 0.31 . . . . 0.0 110.908 -170.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.9 mt-10 -71.21 124.45 24.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.439 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -106.6 140.77 23.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 -173.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -113.1 124.08 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.201 0.524 . . . . 0.0 109.964 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.56 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.6 tt -123.54 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.34 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.74 117.63 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.638 HD12 ' SD ' ' A' ' 35' ' ' MET . 30.1 mt -107.74 131.32 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.4 121.18 40.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.217 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 35.2 t0 -99.35 108.14 20.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -82.65 142.43 31.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.4 113.8 14.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.526 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -83.38 71.37 3.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.514 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -139.13 171.41 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.828 0.347 . . . . 0.0 110.813 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.0 5.15 47.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.491 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.2 m-20 -86.17 -82.88 0.19 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.439 0.638 . . . . 0.0 111.062 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.4 m-85 -78.63 78.78 5.07 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.325 -174.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.12 -16.81 63.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.087 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -70.18 -13.19 62.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.01 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.563 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 68.6 mt -99.31 -37.49 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' NH2' ' HG2' ' A' ' 110' ' ' GLN . 4.0 ttp180 -87.15 -68.01 0.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.135 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.32 -42.57 30.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.702 -172.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.915 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.0 m-20 -70.41 -17.66 63.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 6.2 m-85 -87.74 -20.64 25.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -63.16 -26.65 68.91 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -57.31 -66.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -75.93 25.93 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.99 144.4 17.25 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.165 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.557 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 59.9 mt-10 -101.8 -70.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.13 143.08 15.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.027 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE1' HD12 ' A' ' 18' ' ' ILE . 89.4 m-85 -126.02 127.44 45.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.407 . . . . 0.0 111.004 -176.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.77 115.36 30.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.702 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 HG22 ' A' ' 125' ' ' VAL . 83.8 mt -88.77 107.49 18.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 128' ' ' ASN . 97.8 t -99.51 118.28 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.311 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.68 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 10.4 p90 -144.95 154.15 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.075 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.6 p -100.56 147.28 26.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.566 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -86.99 6.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.599 HG23 HD22 ' A' ' 132' ' ' LEU . 17.4 p -86.46 -49.88 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.379 0.609 . . . . 0.0 109.438 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.59 102.97 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.144 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -68.5 -18.78 64.46 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.533 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 99' ' ' GLU . 5.6 tp10 -65.37 -28.75 69.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 0.0 110.484 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.68 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 42.3 m -67.4 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 0.0 110.298 176.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.3 t80 -78.65 -24.93 44.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.174 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -39.51 29.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.337 0.589 . . . . 0.0 109.845 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.66 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.844 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.646 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 1.2 p -63.58 -28.78 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.471 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.22 85.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.458 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.93 -44.98 94.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.98 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 7.4 m-85 -58.93 -50.98 71.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.082 0.468 . . . . 0.0 109.968 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.14 -46.02 83.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.432 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.04 -33.92 74.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.731 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.438 ' HG2' ' NH2' ' A' ' 79' ' ' ARG . 5.7 tp-100 -67.66 -36.2 80.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 107' ' ' PHE . 84.4 mt -64.08 -45.24 97.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.137 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -76.3 -38.49 56.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -93.18 -4.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.784 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.8 mttm -130.98 -69.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.997 0.427 . . . . 0.0 111.444 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 59.59 79.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.816 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.77 41.13 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.386 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.7 -45.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.679 0.275 . . . . 0.0 110.682 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.03 -90.35 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.597 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 37.5 mmtm -151.94 125.54 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.4 mt -112.09 97.86 40.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.417 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.557 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 93.2 Cg_endo -86.91 116.74 1.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.745 2.297 . . . . 0.0 112.523 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.597 ' HB2' HG11 ' A' ' 152' ' ' VAL . 7.2 mp -111.73 150.61 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.175 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 153' ' ' GLN . 1.0 OUTLIER -136.86 113.54 10.26 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.453 HG22 HD12 ' A' ' 91' ' ' LEU . 20.7 t -81.11 118.65 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.275 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.14 109.89 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.402 -173.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.4 91.7 0.65 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.494 ' HB2' HG13 ' A' ' 92' ' ' VAL . 3.8 t-20 -89.24 142.95 27.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 132' ' ' LEU . 23.7 tptm 68.28 67.41 0.33 Allowed 'General case' 0 C--O 1.221 -0.431 0 O-C-N 123.909 0.755 . . . . 0.0 109.73 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -101.69 8.05 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.793 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.33 14.99 3.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.548 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -95.61 -56.53 2.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.975 176.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 132' ' ' LEU . 12.7 tt0 62.12 -66.4 0.08 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.252 1.021 . . . . 0.0 112.87 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.65 -14.31 50.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 112.016 -175.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 5.0 mpt_? -110.76 21.26 16.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.57 114.5 10.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -114.03 -3.36 13.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 111.157 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 95' ' ' ILE . 83.1 t -108.44 108.1 60.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.93 122.08 11.02 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.211 1.941 . . . . 0.0 111.008 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -58.98 -21.82 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.43 -55.14 37.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.51 -33.63 60.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -57.54 -48.66 78.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.014 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -69.59 -39.74 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.076 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.6 t -55.36 -35.97 65.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.661 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.6 mmtt -68.31 -34.34 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.422 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -64.29 -43.92 93.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 176.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.94 -29.85 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.03 -40.22 94.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.499 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -95.89 2.89 53.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 69.11 34.02 75.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.65 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.597 HG11 ' HB2' ' A' ' 123' ' ' LEU . 34.0 m -120.53 -167.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.763 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -116.35 162.04 18.12 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.319 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 82.1 t80 -132.18 119.03 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.705 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.91 132.58 67.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.011 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.95 146.17 26.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -133.21 130.3 38.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.362 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.412 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 21.9 m -116.59 95.08 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 173.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.51 -22.56 65.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.19 -14.03 52.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 t -144.03 10.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.466 0.651 . . . . 0.0 109.919 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 53.76 61.15 3.23 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.41 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -106.63 114.67 28.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.567 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 66.86 12.8 9.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.88 0.738 . . . . 0.0 112.015 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.92 -45.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.371 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.81 -33.66 62.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.17 -51.04 69.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.283 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.86 -31.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.453 ' CZ ' HG22 ' A' ' 31' ' ' THR . 93.8 m-85 -75.29 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.653 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -60.56 -37.44 81.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.396 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -51.11 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.4 tp -67.34 -36.14 80.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.24 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.56 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.1 mtp -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.74 -41.72 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.818 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 25.1 mt-10 -59.17 -39.54 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.481 177.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 57.7 mt -58.1 -29.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.456 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -61.54 -49.29 77.27 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.34 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.3 m -63.0 -36.58 84.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.669 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.597 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 14.4 mptt -61.58 -42.87 99.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.522 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 14' ' ' LEU . 68.9 mttm -69.24 -36.02 76.73 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.018 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.236 177.392 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.489 ' O ' HG12 ' B' ' 398' ' ' ILE . 74.2 m . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.22 0.533 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.16 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.92 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.11 0.481 . . . . 0.0 110.84 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.18 -35.78 91.38 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.022 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.49 ' O ' HG13 ' B' ' 402' ' ' ILE . 40.3 mm -57.04 -49.59 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.681 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.2 -42.36 86.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -63.94 -46.5 84.45 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.46 -44.49 96.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.399 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' B' ' 439' ' ' LEU . 91.8 mt -53.66 -54.76 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.061 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -65.02 -30.21 71.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 61.9 ttt180 -62.27 -47.83 82.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.924 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.1 mm-40 -76.47 -31.45 57.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 61.9 mt-10 -59.98 -42.17 93.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.77 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.571 ' HB2' HG21 ' B' ' 432' ' ' VAL . 38.4 mt -62.87 -52.41 63.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.435 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -60.61 -41.28 94.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.424 0.63 . . . . 0.0 109.968 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -55.69 -46.92 77.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.67 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.8 t -60.46 -55.43 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.429 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.0 mm? -54.59 -40.08 68.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 178.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -63.66 -40.16 96.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.157 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.456 ' HA ' HE21 ' B' ' 417' ' ' GLN . 92.0 mtt180 -75.64 -46.97 28.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 111.133 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.23 -47.17 85.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.574 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 425' ' ' LYS . 7.0 mp -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' B' ' 414' ' ' ARG . 40.9 mt-30 -61.86 -19.74 62.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.333 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.41 2.17 78.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.686 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.98 28.04 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.027 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 46.7 mt -95.42 116.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -128.16 143.08 51.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.777 0.799 . . . . 0.0 112.097 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.446 ' H ' ' CG ' ' B' ' 425' ' ' LYS . 14.3 t70 -150.11 171.44 16.88 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 171.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 7.6 mp -71.74 -29.68 64.78 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 14.0 m -65.29 -38.25 89.65 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.022 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.677 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -64.46 -38.39 90.86 Favored 'General case' 0 C--N 1.342 0.239 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.105 -172.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.677 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 pt-20 -73.89 -37.13 64.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.6 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 52.4 mt-10 -62.52 -42.23 99.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.711 ' O ' HG12 ' B' ' 432' ' ' VAL . 37.7 mmt180 -61.05 -50.91 71.42 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.016 174.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.615 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.7 mt -56.31 -57.01 14.06 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.172 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.669 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 70.9 m95 -60.63 -35.47 76.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.376 0.423 . . . . 0.0 111.257 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 6.6 tp10 -72.81 -55.81 6.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.449 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.711 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.3 p -62.29 -33.03 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.162 0.506 . . . . 0.0 110.273 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -55.12 -54.6 41.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.481 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.669 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.32 -27.5 63.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -177.063 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 432' ' ' VAL . 68.6 mt -67.44 -48.22 78.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.954 0.407 . . . . 0.0 109.974 175.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD21 ' HG2' ' B' ' 406' ' ' GLU . 32.0 tp -59.35 -43.56 92.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.456 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.7 t -67.2 -34.35 77.3 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.867 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.8 mp -63.04 -40.31 97.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.627 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -58.36 -43.18 88.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 109.912 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -64.89 -43.43 92.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.819 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 13.9 mmmm -58.37 -33.87 70.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.496 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.6 ' HB2' HD11 ' B' ' 402' ' ' ILE . 45.8 tp -68.54 -37.57 80.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.326 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -82.8 -3.94 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.428 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.42 -42.56 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.056 -177.123 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.986 0.422 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.44 17.15 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.305 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.794 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 tp -124.28 115.49 21.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.605 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.87 132.66 53.79 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.916 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.794 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -100.3 115.31 29.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.26 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 64' ' ' ILE . 89.7 t -109.43 114.15 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.986 0.422 . . . . 0.0 110.968 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.01 124.97 66.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.4 mtt -87.9 106.8 18.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.947 0.403 . . . . 0.0 110.401 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 HD22 ' A' ' 91' ' ' LEU . 15.2 m -95.84 127.73 47.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 171.99 -28.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.996 -177.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 5.7 m 77.78 -63.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.843 0.457 . . . . 0.0 110.644 176.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 147.67 48.83 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.19 65.39 4.08 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.184 -1.008 . . . . 0.0 111.236 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 t -71.58 65.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.986 0.898 . . . . 0.0 110.854 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 30' ' ' LEU . . . 71.5 7.61 64.85 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-N 114.583 -1.189 . . . . 0.0 113.234 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' A' ' 68' ' ' ASP . 12.9 ptmm? -57.7 -37.82 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' HD13 ' A' ' 32' ' ' LEU . 29.3 m -60.9 -42.76 98.65 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.97 -43.5 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 90.5 mt -58.4 -46.42 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.21 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.463 HG22 HG21 ' A' ' 66' ' ' ILE . 69.4 p -67.1 -40.34 86.87 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.94 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 ' HB ' ' A' ' 40' ' ' VAL . 10.1 mp -66.38 -33.74 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.285 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 76.2 mm-40 -57.77 -43.66 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.0 110.698 175.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.11 -50.88 14.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.874 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 67.8 mtm -78.06 -43.21 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 5.3 m-85 -95.67 -18.03 20.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.375 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.6 m-20 70.1 9.73 7.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.667 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.51 169.97 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.181 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.94 149.74 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.683 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.6 p -74.05 102.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.495 0.664 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.79 -45.27 8.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.486 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -145.61 96.03 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.182 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' HG23 ' A' ' 40' ' ' VAL . 48.7 t80 -164.63 92.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.009 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.0 mt-10 -76.29 -57.75 1.32 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.229 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 14.9 Cg_endo -55.28 109.57 0.43 Allowed 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.628 2.219 . . . . 0.0 113.347 -173.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -151.29 48.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.759 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -87.11 -60.16 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 0.0 110.218 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.65 20.81 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.342 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.4 m-20 -75.38 83.37 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.645 -172.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' OG ' HD12 ' A' ' 67' ' ' LEU . 35.0 m -91.16 148.64 22.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.296 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 29.6 t80 -144.14 158.81 43.5 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 6.0 ptp180 -112.92 138.98 48.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HG3' HG13 ' A' ' 55' ' ' VAL . 48.4 tptt -106.08 125.89 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.123 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -79.78 111.23 15.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.638 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.2 m -137.92 144.88 29.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.4 p -120.3 128.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.187 0.518 . . . . 0.0 109.681 173.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -126.21 98.03 5.31 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.97 29.5 19.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.467 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.01 -122.09 0.59 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.361 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 pt-20 -109.4 168.88 9.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -58.76 120.97 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.13 0.49 . . . . 0.0 110.979 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -106.93 147.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.036 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -113.8 117.61 31.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.622 0.725 . . . . 0.0 110.29 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 17' ' ' VAL . 6.5 tt -113.54 113.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 42.9 m-20 -90.44 126.36 35.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 HG22 ' A' ' 31' ' ' THR . 30.4 mm -106.46 112.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OG ' ' A' ' 50' ' ' SER . 61.2 tp -82.86 107.16 15.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.236 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 26.5 t70 -83.57 88.46 7.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 m -79.19 139.66 37.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.244 -173.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.18 135.38 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.865 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -129.69 91.54 0.31 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.838 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.676 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.1 pt? -151.91 -171.78 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -175.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.34 2.33 32.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.392 . . . . 0.0 111.369 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.676 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 7.4 m-20 -110.15 -75.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.396 0.617 . . . . 0.0 111.177 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.466 ' HB2' HD21 ' A' ' 72' ' ' LEU . 98.5 m-85 -79.82 85.48 5.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.418 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' ARG . . . -93.23 -26.25 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.634 176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -66.92 -20.8 65.97 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 75' ' ' TYR . 10.2 mt -77.19 -30.15 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.564 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -92.76 -65.95 0.96 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.051 178.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.34 -46.92 81.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.149 0.499 . . . . 0.0 111.88 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.97 -17.25 57.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.98 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.56 ' OH ' HD11 ' B' ' 409' ' ' LEU . 6.5 m-85 -87.32 -15.14 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 20' ' ' VAL . 19.7 m-85 -63.58 -16.66 61.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.8 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -65.46 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.638 -174.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.4 m -86.02 36.6 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -170.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.96 143.94 13.6 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.4 OUTLIER -109.67 -35.39 6.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 117.653 0.727 . . . . 0.0 111.79 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.23 115.23 3.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.421 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -117.56 112.65 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.138 0.494 . . . . 0.0 111.005 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 124' ' ' LEU . 77.7 mt -91.7 109.49 20.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.84 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -79.27 105.88 10.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 126' ' ' VAL . 19.1 m -113.73 132.19 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 112.111 -174.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -152.04 163.28 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.692 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 96' ' ' THR . 18.6 p -102.64 138.91 38.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.568 HG13 ' HE ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.8 15.78 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.351 0.596 . . . . 0.0 111.494 -176.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 132' ' ' LEU . 15.3 p -122.97 5.93 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.378 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -124.28 102.21 7.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.515 0.674 . . . . 0.0 109.492 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -65.67 -31.53 72.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.288 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.23 -44.69 83.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.95 -176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.1 p -64.83 -26.64 68.42 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.613 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.89 -50.91 45.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.4 m -66.55 -28.22 68.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.383 0.611 . . . . 0.0 110.517 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.26 61.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.306 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.2 p -51.31 -46.74 62.64 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 111.677 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.35 -41.94 84.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -58.09 -47.15 84.1 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.29 -44.11 83.77 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.627 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -65.15 -38.06 89.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.395 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -38.36 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.165 0.507 . . . . 0.0 109.945 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 107' ' ' PHE . 74.8 mt -64.05 -54.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.12 -17.99 65.11 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -66.59 -33.74 76.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.076 0.465 . . . . 0.0 110.755 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.721 HG23 ' HG2' ' A' ' 115' ' ' LYS . 32.9 m -111.02 3.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.244 0.545 . . . . 0.0 110.733 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 12.0 mmmm -136.16 -148.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 77.86 -0.36 2.71 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.179 0.992 . . . . 0.0 111.705 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -111.83 12.78 20.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.101 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.673 ' OE1' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.85 -160.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -175.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.6 -73.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 0.0 110.341 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 16.2 tppt? -168.75 136.41 2.0 Allowed 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 115' ' ' LYS . 85.2 mt -94.47 108.63 37.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.898 0.38 . . . . 0.0 111.217 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.1 Cg_endo -84.24 125.84 3.59 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.78 2.32 . . . . 0.0 111.601 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.1 144.77 38.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.071 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.802 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.6 tp -139.11 116.27 11.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 172.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.403 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.4 t -89.15 126.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.556 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -120.18 132.62 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.29 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.3 113.46 4.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.984 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.4 t-20 -96.21 164.26 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 12.8 mptt 74.13 25.75 1.76 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.764 0.665 . . . . 0.0 111.501 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.8 t -65.83 -9.07 25.55 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.409 0.623 . . . . 0.0 109.895 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.4 -15.12 62.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.042 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.857 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.2 mt -77.2 -45.7 25.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.811 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 63.86 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.178 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.54 -17.45 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.137 0.494 . . . . 0.0 110.91 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.857 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.7 mtp180 -87.34 -0.23 56.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.887 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.568 ' HE ' HG13 ' A' ' 95' ' ' ILE . 41.4 ttm180 -53.84 113.85 1.36 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.539 ' H ' ' HA ' ' A' ' 96' ' ' THR . 30.1 mm-40 -91.24 -27.08 18.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.9 p -114.13 122.47 34.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.98 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.12 119.67 6.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 111.246 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.09 -12.03 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.292 0.568 . . . . 0.0 109.893 -176.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -57.54 -46.51 83.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.478 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.76 -14.31 54.7 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.41 -34.36 41.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.218 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.6 mtp180 -66.26 -35.94 81.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.983 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -58.41 -30.92 67.24 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.863 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -65.32 -48.68 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.324 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.08 93.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.08 -37.26 86.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.94 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -45.89 70.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.06 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -77.01 -16.66 59.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.19 32.81 10.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.113 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.57 -179.05 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.595 0.236 . . . . 0.0 110.803 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.802 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -103.07 163.2 12.36 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.949 0.404 . . . . 0.0 111.31 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -134.43 127.64 31.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.946 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.86 131.41 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.361 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.82 144.03 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.552 ' HB ' HG22 ' A' ' 165' ' ' VAL . 31.1 p -128.18 140.33 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.258 0.552 . . . . 0.0 112.147 -175.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 20.7 t -102.34 123.16 45.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.515 172.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.11 -1.77 47.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.685 0.278 . . . . 0.0 111.263 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 160' ' ' LYS . 25.1 tptp -92.11 -22.5 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.014 0.435 . . . . 0.0 110.941 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.6 t -130.37 1.01 4.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.456 0.646 . . . . 0.0 109.805 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 56.07 71.71 0.54 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.053 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -116.88 129.39 56.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.929 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 71.17 -4.6 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.871 0.732 . . . . 0.0 111.912 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 157' ' ' THR . 62.0 t -70.23 -43.61 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.123 -176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -71.29 -23.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 34.0 tttm -60.04 -56.43 21.79 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.405 HG11 HG22 ' A' ' 126' ' ' VAL . 34.9 m -60.45 -28.84 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.411 ' O ' ' HG3' ' A' ' 173' ' ' MET . 82.7 m-85 -70.09 -52.1 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.619 0.247 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -69.7 -34.97 74.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.198 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 31.1 t0 -60.46 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.67 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.5 tp -69.62 -34.1 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.412 ' SD ' HD12 ' A' ' 64' ' ' ILE . 53.1 mtm -61.76 -31.54 71.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.353 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -70.98 -33.98 70.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.118 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.39 -38.71 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.552 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.5 mt -55.17 -39.2 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.944 -175.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 177' ' ' ARG . 7.3 ptp180 -71.08 -39.65 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.533 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 25.8 m -71.53 -33.65 69.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.44 -43.66 98.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.235 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 33.3 mmtp -73.7 -40.95 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.57 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.6 mtm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.07 -179.645 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.458 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.7 m . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.826 0.346 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.06 -37.16 86.1 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.09 82.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.408 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.95 95.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.908 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' B' ' 443' ' ' LEU . 38.4 mm -60.86 -50.61 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 402' ' ' ILE . 96.2 mttt -60.49 -34.66 74.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.95 -38.25 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.511 0.196 . . . . 0.0 111.086 175.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' B' ' 439' ' ' LEU . 58.7 mt-10 -68.3 -38.82 82.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.245 176.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.657 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.95 -50.37 53.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.527 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 21.9 mmm180 -56.35 -42.34 77.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.962 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 34.3 ttm180 -59.83 -47.89 83.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.107 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.603 ' HB2' HD23 ' B' ' 436' ' ' LEU . 69.0 mm-40 -71.32 -28.98 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.27 -177.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 46.5 mt-10 -59.95 -45.17 93.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.31 -46.07 71.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.1 mt -60.15 -47.28 86.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.56 HD11 ' OH ' ' A' ' 82' ' ' TYR . 43.1 tp -69.42 -32.6 71.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.012 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.74 -47.61 82.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.9 t -59.41 -51.85 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' B' ' 429' ' ' LEU . 1.9 mm? -54.05 -46.45 71.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.347 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -57.87 -49.06 77.98 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.135 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -69.68 -38.0 76.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.2 -48.39 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 425' ' ' LYS . 7.0 mp -68.81 -32.92 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.549 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 2.8 mt-30 -69.34 -9.69 54.5 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.051 0.453 . . . . 0.0 111.012 176.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.17 86.77 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.25 28.14 5.61 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.129 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 53.2 mt -132.52 127.8 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.912 0.356 . . . . 0.0 110.091 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -133.37 152.42 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 0.0 111.367 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.622 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.7 t70 -149.86 161.54 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.318 171.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.4 -32.14 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.716 0.293 . . . . 0.0 111.254 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.63 -33.02 74.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.252 0.549 . . . . 0.0 110.003 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' B' ' 416' ' ' LEU . 47.1 mmtt -72.69 -45.44 58.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.927 -176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.56 -43.99 95.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.385 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -63.55 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.662 ' O ' HG23 ' B' ' 432' ' ' VAL . 24.9 tpt180 -70.85 -37.1 73.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.578 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 7.6 mt -59.39 -44.74 92.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.544 0.212 . . . . 0.0 111.396 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.695 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 37.3 m95 -69.34 -32.63 71.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.52 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -61.84 -55.85 25.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.92 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -61.92 -34.65 63.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 121.31 0.576 . . . . 0.0 109.625 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.468 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.8 tp60 -55.46 -51.2 67.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.99 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.73 -25.78 62.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.144 -178.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' B' ' 432' ' ' VAL . 30.3 mt -75.12 -43.95 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.564 177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.42 -41.08 79.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.112 174.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.612 HG22 ' HA ' ' B' ' 434' ' ' ARG . 6.2 t -77.41 -32.85 55.0 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.596 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.22 -36.31 83.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.926 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -64.02 -35.53 81.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.927 176.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -60.2 -37.24 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.256 0.551 . . . . 0.0 109.549 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.83 -43.04 69.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.349 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.926 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.3 mtpt -58.72 -33.34 70.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.788 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' B' ' 398' ' ' ILE . 3.0 tm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -74.1 -22.91 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.652 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -73.32 -33.33 65.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.647 -179.039 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.625 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -94.97 3.39 55.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 111.606 -172.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -129.54 129.53 44.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.308 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -132.22 140.58 48.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.637 0.256 . . . . 0.0 110.757 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -119.16 107.58 13.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 64' ' ' ILE . 30.4 m -115.54 119.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.701 0.762 . . . . 0.0 110.669 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.65 113.39 43.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.3 ttm -84.74 108.62 17.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.354 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.96 170.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.571 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 150.46 166.06 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -85.15 114.34 22.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.175 0.512 . . . . 0.0 110.27 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.456 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 78.22 -81.16 1.33 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.796 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -151.73 -54.81 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.345 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG11 ' HA ' ' A' ' 93' ' ' PHE . 15.1 t 56.77 57.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.566 0.698 . . . . 0.0 110.166 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 11.66 65.95 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.284 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.796 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 18.0 ttmm -53.77 -62.91 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.846 0.458 . . . . 0.0 112.132 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.465 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 15.2 m -73.26 -14.85 61.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.412 -172.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.64 -45.25 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.239 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.5 -40.36 64.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 10.9 p -63.23 -39.48 94.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 111.72 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.67 -35.18 80.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.907 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.839 HE22 ' HA ' ' A' ' 39' ' ' PHE . 74.6 mm-40 -64.62 -42.97 95.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.01 0.434 . . . . 0.0 110.637 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.41 -27.76 66.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.0 mtp -87.2 -60.94 1.84 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.911 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 94.1 m-85 -110.08 -12.54 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 32.3 t70 73.28 2.23 4.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.277 0.56 . . . . 0.0 111.502 177.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.29 145.88 26.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.981 0.42 . . . . 0.0 110.865 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.839 ' HA ' HE22 ' A' ' 33' ' ' GLN . 71.5 t80 -78.25 148.98 33.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.085 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.23 104.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 111.842 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -89.24 -56.38 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.31 94.59 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.014 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -155.81 97.89 1.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.207 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.733 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.4 tp10 -116.42 -49.69 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -173.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 27.2 Cg_endo -61.17 93.14 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.047 1.831 . . . . 0.0 114.173 -173.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.7 p -138.75 72.72 1.41 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.259 0.552 . . . . 0.0 109.594 170.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.31 -59.26 2.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.497 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -125.79 -14.66 6.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -169.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -84.72 159.34 20.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 t -132.38 147.83 52.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -126.62 152.72 46.29 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.781 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 37.5 ttm180 -120.01 132.74 55.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.482 . . . . 0.0 110.866 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -110.64 129.54 55.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.422 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -97.63 121.27 39.34 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.931 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.82 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.633 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -96.61 115.37 35.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.751 HD21 ' HD3' ' A' ' 174' ' ' ARG . 32.9 tp -104.16 100.18 9.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.727 -173.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 71.71 -21.35 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.889 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.32 -46.87 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.45 146.92 26.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 117.614 0.707 . . . . 0.0 110.928 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 mt-10 -78.87 115.33 18.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.666 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.625 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.8 t -107.27 152.68 8.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.858 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.781 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 49.8 mt-30 -113.27 119.49 37.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.484 . . . . 0.0 110.598 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 17' ' ' VAL . 4.7 tt -119.21 118.1 56.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.44 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.75 126.18 35.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.948 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.45 123.06 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.453 0.644 . . . . 0.0 110.801 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 82' ' ' TYR . 20.7 tp -106.51 103.84 13.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.069 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.37 87.04 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.302 0.573 . . . . 0.0 109.481 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -75.2 145.73 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.3 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 120.4 16.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -82.4 61.62 4.69 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.44 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -138.18 173.04 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.575 0.226 . . . . 0.0 110.803 -178.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 79' ' ' ARG . 41.9 mt-10 -94.78 -5.73 44.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.33 -64.44 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 111.476 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.529 ' H ' HD13 ' A' ' 72' ' ' LEU . 70.3 m-85 -84.82 78.71 9.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.937 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.02 64.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.875 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -75.75 -10.07 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.46 . . . . 0.0 111.009 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.656 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 23.2 mt -104.5 -30.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 0.0 109.953 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 73' ' ' GLU . 55.5 ttp180 -90.96 -65.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.146 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.6 -57.46 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.207 0.527 . . . . 0.0 111.652 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.63 HD22 ' HA ' ' A' ' 77' ' ' ALA . 63.7 m-80 -68.89 -17.08 63.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.46 -170.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -89.1 -6.6 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.073 -0.392 . . . . 0.0 111.929 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 114' ' ' VAL . 9.1 m-30 -77.73 -24.48 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.968 -176.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -64.57 -57.62 8.63 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 24.5 t -81.29 -3.16 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.084 0.468 . . . . 0.0 111.142 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.53 137.62 14.43 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.123 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 4.8 tp10 -133.18 65.0 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.671 0.748 . . . . 0.0 109.057 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.424 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . 164.07 111.24 0.25 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -122.71 124.73 44.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.375 0.607 . . . . 0.0 111.569 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.2 mt -97.07 117.11 30.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.754 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 123' ' ' LEU . 46.1 mt -93.36 106.33 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.0 m -107.01 136.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.041 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.454 ' HA ' HG11 ' A' ' 25' ' ' VAL . 31.6 p90 -145.01 156.34 43.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 176.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -106.65 139.43 41.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.754 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -72.48 -6.39 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.707 -178.029 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.526 ' CG2' HD22 ' A' ' 132' ' ' LEU . 5.7 p -87.56 -39.16 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.04 0.448 . . . . 0.0 110.397 173.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.8 99.93 11.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -65.55 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.7 -52.81 63.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.728 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.9 p -62.78 -30.6 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.3 -46.31 80.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -68.83 -33.67 74.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.8 63.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.457 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 p -55.38 -44.67 76.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 111.536 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -32.87 70.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.743 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -68.44 -39.36 81.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.386 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.524 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.1 m-85 -58.31 -46.92 85.22 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.25 -49.56 71.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.048 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.92 -35.32 80.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.736 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.5 mt -64.03 -45.91 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.056 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.8 mp -67.51 -6.92 21.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -78.41 -33.08 48.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.03 0.443 . . . . 0.0 110.447 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 115' ' ' LYS . 31.2 m -114.55 -6.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.176 -177.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 18.0 mmmt -134.27 116.19 15.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.715 -176.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.81 -67.07 0.4 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.792 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.43 37.5 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.181 0.515 . . . . 0.0 110.779 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.2 -154.39 0.12 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.306 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.05 -80.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.5 mmtm -159.55 125.06 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.7 mt -81.0 109.35 13.17 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-O 120.807 0.337 . . . . 0.0 110.708 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -94.71 119.07 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 123.358 2.706 . . . . 0.0 112.565 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 91' ' ' LEU . 5.4 mp -113.8 144.8 42.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.222 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.794 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.2 tp -136.2 119.79 17.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.776 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 124' ' ' LEU . 12.0 t -84.57 116.64 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.156 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' A' ' 92' ' ' VAL . 33.7 t -108.96 110.6 32.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.489 -176.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.07 111.18 3.63 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.576 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 5.0 p30 -106.77 168.75 8.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.555 0.217 . . . . 0.0 111.1 -176.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 132' ' ' LEU . 2.5 mptm? 72.83 31.55 1.56 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.958 0.786 . . . . 0.0 111.828 177.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.2 m -65.08 0.1 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.975 -0.453 . . . . 0.0 111.136 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 129' ' ' LYS . 5.1 p-10 -90.17 -0.12 57.46 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.74 -42.97 10.39 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.596 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 57.52 -77.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.117 0.967 . . . . 0.0 113.223 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.96 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.66 12.41 14.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.727 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.754 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 50.6 ttp180 -65.63 113.94 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 0.0 110.686 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -91.7 -30.43 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.406 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.1 118.57 45.86 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.98 121.26 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 111.418 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -68.08 -15.92 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -173.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.33 -46.93 86.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.591 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.78 -27.47 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.424 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -65.35 -30.3 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.304 0.573 . . . . 0.0 110.593 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 73.5 mtp180 -71.74 -36.95 70.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.285 178.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 23.2 t -78.76 -22.52 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.12 0.962 . . . . 0.0 108.698 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 143' ' ' ALA . 13.8 tppt? -65.46 -46.46 79.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.763 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -62.36 -36.96 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.084 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 145' ' ' SER . 34.3 tt0 -57.78 -38.78 76.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.334 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.07 -35.45 80.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.115 0.483 . . . . 0.0 110.774 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -88.81 -8.35 54.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.753 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.51 56.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.238 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.601 HG23 ' HB1' ' A' ' 147' ' ' ALA . 30.1 m -116.54 -177.24 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.0 110.963 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.794 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.8 pm0 -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.685 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -121.31 124.16 43.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.935 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 28.4 t -125.0 133.5 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -87.98 139.59 30.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.343 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 31.1 p -139.23 131.96 29.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.312 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' ' 163' ' ' ALA . 6.7 p -121.66 118.1 28.33 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.26 -10.1 59.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -64.11 -44.82 91.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.978 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.1 t -114.69 3.15 14.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 63.13 81.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.51 0.671 . . . . 0.0 110.643 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.458 ' HB3' ' H ' ' A' ' 158' ' ' SER . . . -90.57 -143.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.962 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -64.13 45.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.919 0.888 . . . . 0.0 112.21 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 168' ' ' VAL . 60.4 t -68.31 -50.34 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 110.183 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.37 -29.38 70.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.902 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.33 -50.52 71.22 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.86 -175.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -59.91 -25.33 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -75.41 -52.17 11.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.519 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 70.6 m-85 -66.14 -43.14 87.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.16 -49.04 79.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.792 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.4 tp -63.8 -37.81 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.201 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 176' ' ' ILE . 68.9 mtm -63.4 -30.59 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.259 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.751 ' HD3' HD21 ' A' ' 57' ' ' LEU . 8.7 mmm180 -72.76 -37.97 67.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.54 ' HA ' ' OE1' ' A' ' 175' ' ' GLU . 3.9 mm-40 -62.01 -35.91 79.94 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.668 174.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.639 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 78.8 mt -57.41 -48.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.108 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -67.48 -31.95 72.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.526 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 17.4 m -57.9 -41.4 82.51 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.299 0.571 . . . . 0.0 109.789 176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 43.1 mmtt -73.88 -34.39 64.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.551 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 26.1 mmmt -72.7 -41.94 64.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.434 -176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.409 -179.756 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.576 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.2 m . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.51 -27.34 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.94 14.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.313 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.67 74.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.08 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.603 ' O ' HG13 ' B' ' 402' ' ' ILE . 48.7 mm -60.38 -55.26 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.576 0.227 . . . . 0.0 110.543 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.31 -41.72 94.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.603 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.9 -39.77 93.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.709 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' B' ' 439' ' ' LEU . 5.1 tp10 -72.13 -40.15 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.641 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.603 HG13 ' O ' ' B' ' 398' ' ' ILE . 69.9 mt -53.87 -47.13 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.39 -46.29 76.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.09 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 43.7 ttm105 -63.08 -42.49 99.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.881 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.585 ' NE2' HG23 ' B' ' 432' ' ' VAL . 15.3 mm100 -71.97 -35.99 69.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.91 -43.18 98.92 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.29 -49.45 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' B' ' 432' ' ' VAL . 92.5 mt -60.4 -44.43 95.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.64 -45.66 91.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.466 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.96 -49.8 72.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.764 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.9 t -61.85 -56.0 23.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.795 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.444 ' O ' HD13 ' B' ' 416' ' ' LEU . 1.9 mm? -54.89 -33.11 61.67 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.461 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.567 ' CE1' ' HB1' ' A' ' 48' ' ' ALA . 4.6 m-70 -73.13 -49.18 29.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.635 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -76.79 -38.37 54.12 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.605 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.9 -46.14 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.007 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.8 mp -70.66 -34.65 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 111.239 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.584 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 3.0 mt-30 -65.94 -10.58 40.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.8 1.67 66.97 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.007 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.24 18.01 35.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.362 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.38 117.53 54.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -135.16 147.21 49.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.666 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.9 t70 -148.34 161.49 41.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -27.47 68.56 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.733 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -66.03 -38.02 87.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.807 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.666 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 52.5 mmtt -68.47 -52.06 36.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.632 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.5 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.15 -43.39 91.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.3 mmt180 -66.19 -34.86 78.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.199 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.31 -50.98 61.79 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.727 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.705 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 8.1 m95 -67.19 -30.78 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.412 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.812 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 40.4 tt0 -64.33 -55.13 23.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.306 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' B' ' 408' ' ' LEU . 2.3 p -62.97 -34.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.108 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.5 -50.94 71.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.622 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.812 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 1.0 OUTLIER -64.52 -29.95 70.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.636 0.255 . . . . 0.0 110.445 -177.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -75.75 -38.94 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.985 0.421 . . . . 0.0 110.294 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -61.73 -45.5 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.8 t -73.2 -30.07 63.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.027 0.441 . . . . 0.0 109.949 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.67 -39.25 80.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.003 174.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.588 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.1 OUTLIER -58.2 -43.48 87.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.671 176.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.99 -33.45 75.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.695 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -67.58 -42.53 82.39 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.581 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.6 mmmm -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.286 176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' B' ' 398' ' ' ILE . 50.0 tp -62.12 -46.49 88.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 0.0 110.564 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.04 -2.84 56.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.67 -32.36 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.156 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.616 -178.499 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.728 0.299 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.5 -18.52 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.873 -175.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.95 121.53 33.62 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.482 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -129.39 134.05 47.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.781 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 11.1 mmpt? -96.74 106.82 19.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.25 108.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.158 0.504 . . . . 0.0 110.5 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.17 122.25 65.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.694 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 ttm -89.57 124.23 34.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HZ ' ' A' ' 83' ' ' PHE . 19.0 t -98.5 128.72 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.979 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.64 157.6 10.08 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t -97.14 -90.51 0.26 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.491 0.645 . . . . 0.0 111.003 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -117.51 -47.84 0.44 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.37 -176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.49 38.45 1.22 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.442 -0.409 . . . . 0.0 113.016 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.597 ' HB ' HG13 ' A' ' 92' ' ' VAL . 35.8 m -126.88 -19.78 2.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.621 0.248 . . . . 0.0 111.102 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.95 34.17 77.37 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.432 177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 23.5 pttm -79.1 -21.72 46.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 32' ' ' LEU . 72.4 m -68.61 -34.05 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.018 0.437 . . . . 0.0 110.239 175.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.18 -34.07 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.27 -41.1 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.625 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.6 p -68.77 -32.53 72.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.18 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 3.7 mm? -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.307 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 80.1 mm-40 -60.65 -54.97 38.88 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.171 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -68.98 -24.33 64.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.9 -177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttm -83.1 -52.07 6.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.738 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -120.08 24.67 10.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t70 75.63 -56.55 0.6 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.827 0.704 . . . . 0.0 112.384 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -102.76 -173.97 2.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.326 0.584 . . . . 0.0 112.206 -172.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.442 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 58.9 t80 -75.23 138.63 42.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.807 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.623 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.1 p -56.46 130.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.628 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.23 -72.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.737 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.72 87.66 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.298 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -150.5 114.19 4.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.103 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.573 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.7 tp10 -102.56 -67.82 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.549 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 37.1 Cg_exo -11.44 -79.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 125.121 3.881 . . . . 0.0 115.119 -161.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p 51.64 11.43 0.13 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -88.5 -56.58 3.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.307 0.575 . . . . 0.0 111.444 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB1' HD12 ' B' ' 409' ' ' LEU . . . -124.24 -10.42 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.972 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -98.73 118.11 34.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 p -133.79 163.0 30.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 80.6 t80 -139.24 130.67 27.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 2.4 ptp180 -82.51 129.7 34.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.473 0.654 . . . . 0.0 111.177 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -101.15 131.43 47.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.252 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 38.1 ttmt -101.85 130.64 48.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 110.351 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.0 m -135.73 166.95 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.4 p -145.7 118.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.663 0.744 . . . . 0.0 111.295 174.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.87 106.09 11.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.063 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.84 67.6 0.61 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.186 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.42 -78.29 0.25 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 115.73 166.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 pt-20 -84.54 131.34 34.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.955 0.377 . . . . 0.0 111.776 -166.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.84 118.24 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 2.1 t -105.65 136.7 38.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 -169.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -113.66 117.9 32.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.104 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.469 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 11.5 tt -121.43 121.54 64.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 110.723 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 31.7 m-20 -97.34 125.31 41.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.9 mm -107.74 118.87 56.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.291 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.79 109.87 19.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -77.6 106.31 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.58 ' HB ' ' HA ' ' A' ' 79' ' ' ARG . 17.2 p -73.81 108.71 6.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.449 -173.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 124.03 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.12 72.19 0.47 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.36 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 75' ' ' TYR . 1.6 pt? -128.34 -175.18 3.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.6 -30.63 70.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.75 -81.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.732 0.777 . . . . 0.0 110.608 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 72' ' ' LEU . 86.7 m-85 -82.26 91.12 6.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.45 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.85 -32.76 10.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.479 0.657 . . . . 0.0 109.568 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.772 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.512 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.3 mt -69.75 -22.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.647 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 69' ' ' THR . 34.6 ttp180 -91.86 -65.11 1.03 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.137 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -58.96 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.817 HD22 ' HB3' ' B' ' 416' ' ' LEU . 93.8 m-20 -57.58 -33.73 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.1 m-85 -68.4 -21.57 64.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' HZ ' HG13 ' A' ' 20' ' ' VAL . 14.9 m-30 -64.54 -21.54 66.72 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.618 ' HB3' ' HG2' ' B' ' 426' ' ' GLU . 3.0 tmm_? -59.75 -50.03 75.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.89 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -89.37 20.98 3.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.918 0.389 . . . . 0.0 111.727 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.13 -170.7 44.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.648 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 4.2 tp10 -157.92 -67.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 135.37 12.39 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.5 m-85 -130.47 134.32 46.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 0.0 111.595 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 124' ' ' LEU . 93.3 mt -103.22 119.64 39.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.657 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.96 107.17 19.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 25' ' ' VAL . 6.5 p -107.78 141.3 23.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.941 0.4 . . . . 0.0 111.048 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -153.54 168.74 25.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.444 175.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.638 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 34.2 t -106.14 140.38 39.2 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 130' ' ' SER . 0.2 OUTLIER -78.59 6.35 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.447 0.641 . . . . 0.0 110.855 -178.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.875 HG21 HD22 ' A' ' 132' ' ' LEU . 75.7 p -119.88 -22.43 6.78 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.606 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.638 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 1.2 mp0 -94.64 95.28 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.674 175.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.83 -24.52 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.488 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -55.81 -50.22 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.516 0.674 . . . . 0.0 110.027 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -67.28 -35.18 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.351 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.08 -40.32 95.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -70.76 -28.79 64.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.395 0.617 . . . . 0.0 110.648 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.83 -15.29 59.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.224 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -45.6 67.04 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 0.0 111.611 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.41 92.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.52 -38.94 89.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.2 m-85 -57.34 -51.6 68.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 110.248 177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 108' ' ' ARG . 37.5 ttt180 -66.03 -44.23 85.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.744 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.39 -33.89 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.67 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.0 mt -64.64 -48.38 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.315 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -68.75 -13.18 62.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.766 0.317 . . . . 0.0 111.087 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -78.74 -31.72 46.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 115' ' ' LYS . 33.8 m -105.25 -25.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.754 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -98.32 -94.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 64.18 -71.22 0.07 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.59 34.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 111.228 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 13.6 mm-40 -98.1 -168.57 1.68 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.1 -177.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -79.36 -72.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.589 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 75.3 mmtt -142.75 140.54 31.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.6 mt -109.05 97.22 23.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.787 0.327 . . . . 0.0 110.225 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 17.0 Cg_exo -67.2 121.08 8.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.068 2.512 . . . . 0.0 111.474 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.6 mt -127.29 124.19 38.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.973 -176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.7 tp -126.92 118.68 25.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.907 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.59 127.47 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.928 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.38 110.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.585 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.83 114.39 4.26 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.57 HD22 HG23 ' A' ' 92' ' ' VAL . 12.7 m-80 -107.54 158.03 17.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.3 tttm 68.55 56.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.892 169.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' HD11 ' A' ' 95' ' ' ILE . 16.3 m -76.28 4.34 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.008 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -12.84 61.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.875 HD22 HG21 ' A' ' 96' ' ' THR . 7.0 mp -70.17 -46.14 65.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 62.33 -77.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.016 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.72 -21.16 63.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.175 0.512 . . . . 0.0 110.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.833 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.8 mtp180 -94.67 21.86 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 96' ' ' THR . 35.3 ttm180 -59.44 113.17 2.05 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.454 ' H ' ' HA ' ' A' ' 96' ' ' THR . 25.8 tp60 -91.52 -35.74 14.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.194 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.32 126.61 28.09 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.097 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.95 116.64 3.4 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.112 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -73.17 -13.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.171 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -57.11 -48.56 78.33 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.478 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.84 -24.45 52.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.88 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.199 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -64.73 -36.24 83.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.366 0.603 . . . . 0.0 109.546 174.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.461 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 22.9 t -66.51 -18.07 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.967 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 7.2 mmpt? -72.33 -40.99 67.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 110.035 175.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -63.84 -40.92 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.458 0.647 . . . . 0.0 109.464 174.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 27.5 tt0 -58.68 -48.7 80.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.457 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.3 -42.91 92.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.683 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -92.59 -5.56 51.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.485 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.39 41.41 20.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.039 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.62 -170.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.53 0.205 . . . . 0.0 110.591 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.791 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -106.47 159.55 16.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.881 177.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 66.3 t80 -129.18 125.41 36.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.649 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.31 121.67 56.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.384 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.08 134.93 33.79 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 40.9 p -138.34 158.16 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.955 0.407 . . . . 0.0 111.548 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -138.49 135.22 34.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.15 3.61 20.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -82.72 -49.6 9.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.5 p -92.96 -18.62 22.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.417 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 65.25 20.81 11.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.438 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.57 122.76 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 90.3 m-20 70.39 0.55 3.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.285 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 168' ' ' VAL . 98.1 t -64.92 -49.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.43 -29.06 69.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -57.08 -50.08 73.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.331 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.1 m -58.74 -27.74 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.95 -49.44 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.017 0.437 . . . . 0.0 110.383 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.98 -47.21 78.36 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.281 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -51.56 69.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 176' ' ' ILE . 28.8 tp -60.48 -42.29 95.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.8 mtm -61.98 -40.08 94.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.113 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HD3' ' HD2' ' A' ' 177' ' ' ARG . 7.0 mmt180 -65.03 -40.86 95.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.793 178.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.65 -42.7 88.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 172' ' ' LEU . 78.5 mt -58.47 -34.84 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.472 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HD2' ' HD3' ' A' ' 174' ' ' ARG . 29.3 mtp-105 -60.51 -41.43 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 110.11 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.9 m -63.57 -32.08 73.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.449 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 2.5 mptp? -69.42 -40.78 77.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.719 0.295 . . . . 0.0 110.702 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -71.36 -35.17 71.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 175.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.445 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.449 ' HB3' ' HE3' ' B' ' 399' ' ' LYS . 85.9 mt-30 -63.23 -32.48 73.89 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.44 72.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.13 95.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.054 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 394' ' ' THR . 47.6 mm -61.58 -51.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.518 0.199 . . . . 0.0 110.547 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 98.9 mttt -61.76 -38.79 89.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.454 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.937 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.646 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 17.1 tp10 -67.94 -37.54 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 439' ' ' LEU . 73.8 mt -53.91 -50.41 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.592 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.0 mtp180 -54.62 -44.01 72.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.255 0.55 . . . . 0.0 110.614 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.646 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 57.8 ttt180 -63.82 -48.71 75.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 80.0 mm-40 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.528 ' HG3' HD21 ' B' ' 436' ' ' LEU . 46.3 mt-10 -63.66 -38.1 89.83 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.62 -48.26 72.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.62 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 87.3 mt -58.56 -47.4 84.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.636 HD23 HG13 ' B' ' 432' ' ' VAL . 2.9 tm? -68.01 -37.14 81.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.144 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.21 -33.1 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.835 0.35 . . . . 0.0 110.817 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.3 t -60.15 -51.33 70.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.264 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -55.39 -38.09 68.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 174.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.15 -39.81 93.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.828 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -76.56 -38.76 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.515 0.198 . . . . 0.0 111.142 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.78 -42.86 80.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.244 0.545 . . . . 0.0 110.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.817 ' HB3' HD22 ' A' ' 81' ' ' ASN . 86.7 mt -71.44 -30.6 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.144 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -65.47 -14.41 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.736 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.5 8.47 61.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.578 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.08 23.91 43.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.922 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.6 mt -121.74 141.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -152.42 146.58 25.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.312 0.577 . . . . 0.0 110.733 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 32.9 t70 -149.14 156.37 42.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.919 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.64 -33.96 66.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.951 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -31.4 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.021 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' B' ' 416' ' ' LEU . 33.8 mmtt -72.07 -55.62 7.04 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.846 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' B' ' 429' ' ' LEU . 6.7 mp0 -61.46 -42.46 98.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.437 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.37 -37.64 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.111 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.543 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 mmt180 -69.22 -33.4 73.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.414 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 416' ' ' LEU . 24.8 mt -55.54 -57.3 12.51 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.538 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.415 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 93.3 m95 -65.88 -30.73 71.37 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 123.162 0.289 . . . . 0.0 111.024 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.58 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 9.3 tp10 -66.37 -56.65 10.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.555 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -65.88 -33.64 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.435 0.636 . . . . 0.0 109.887 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -56.35 -52.14 65.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.889 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.58 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -64.83 -28.61 69.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.028 0.442 . . . . 0.0 110.288 -176.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' B' ' 432' ' ' VAL . 56.7 mt -69.29 -51.87 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.074 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' B' ' 406' ' ' GLU . 2.7 tm? -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.871 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.545 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.0 t -67.53 -34.06 76.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.69 -177.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.2 76.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.947 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.597 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.1 mp -63.99 -44.56 92.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.41 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -61.22 -34.1 74.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.183 0.515 . . . . 0.0 109.895 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -68.21 -45.07 74.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.423 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.0 mmmm -63.53 -28.65 70.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.478 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 48.9 tp -63.71 -42.24 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 110.067 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -82.69 -4.31 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.9 tp10 -88.62 -38.0 15.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.164 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.836 -179.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--O 1.236 0.379 0 CA-C-O 120.655 0.264 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -102.68 4.95 38.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.251 0.548 . . . . 0.0 111.199 -174.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 tp -129.29 128.41 43.14 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.576 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 80.4 m-70 -135.52 139.52 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.47 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.729 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -129.21 106.86 9.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 173.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.0 131.59 57.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.977 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -107.06 124.85 63.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.534 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 55.3 ttm -95.89 126.44 41.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 111' ' ' ILE . 25.9 m -95.39 169.3 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.923 0.392 . . . . 0.0 111.094 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.87 27.88 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.905 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.4 m -133.08 -61.75 0.82 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.922 0.391 . . . . 0.0 110.298 -176.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.74 -131.22 7.26 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.955 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.44 68.76 0.27 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.131 -175.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.607 ' HA ' ' OG ' ' A' ' 94' ' ' SER . 27.5 m -83.31 5.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.157 0.504 . . . . 0.0 111.066 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.15 18.89 76.92 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.681 -0.69 . . . . 0.0 113.699 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 40.6 pttt -66.88 -41.71 86.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -173.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 m -62.83 -18.38 62.73 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.737 0.303 . . . . 0.0 111.325 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.41 65.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 111.429 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.91 -41.17 83.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.336 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 23.7 p -67.03 -37.35 83.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 HG22 ' A' ' 40' ' ' VAL . 19.8 tp -65.83 -40.33 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.605 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -75.13 -6.42 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.937 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -67.99 -41.37 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.975 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.621 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 1.8 pmm? -119.65 -32.21 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.84 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.617 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 82.4 m-85 -86.27 -32.42 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.151 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 71.39 -0.48 3.1 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.292 0.568 . . . . 0.0 111.495 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.617 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 12.4 pt-20 -99.02 157.81 16.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 148.27 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HD22 ' A' ' 32' ' ' LEU . 36.5 t -71.57 101.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 0.0 110.97 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.52 -32.84 6.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.712 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -130.89 83.62 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' HB3' HG13 ' A' ' 40' ' ' VAL . 4.9 t80 -176.15 91.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 4.0 mp0 -89.64 -59.27 0.24 Allowed Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.382 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 52.0 Cg_endo -67.46 152.65 78.4 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.146 1.897 . . . . 0.0 112.926 -175.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -156.88 30.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 78' ' ' ILE . 54.9 mtmt -85.7 -48.22 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.601 -176.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -123.34 12.61 9.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.777 0.799 . . . . 0.0 109.465 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.7 m-20 -90.46 84.73 6.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.491 -174.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 p -97.56 155.34 17.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.782 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -144.86 143.2 30.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.132 -178.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 31.7 ttm180 -125.21 150.11 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -172.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 35' ' ' MET . 53.9 tptt -136.56 138.21 41.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.57 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 36.2 ttmt -98.56 124.34 43.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.8 m -133.92 147.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -123.36 123.95 68.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.22 0.533 . . . . 0.0 110.558 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.91 95.99 5.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.075 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.59 22.91 3.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.66 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.18 -111.0 0.27 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.536 -1.316 . . . . 0.0 114.15 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 pt-20 -104.35 159.14 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -175.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 69.4 mt-10 -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 13' ' ' ALA . 12.6 t -106.45 142.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.32 117.73 33.29 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.142 0.496 . . . . 0.0 110.708 -176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.656 HD12 ' SD ' ' A' ' 173' ' ' MET . 14.6 tt -105.56 124.97 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.072 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.729 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 30.3 t70 -109.75 121.36 45.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.304 -175.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.7 mm -107.82 127.07 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.12 0.486 . . . . 0.0 111.96 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.4 tp -123.4 134.9 53.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.444 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HB3' HG22 ' A' ' 46' ' ' THR . 42.3 t0 -112.66 146.45 38.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 p -98.87 154.5 17.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.01 122.24 42.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.818 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.905 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -85.47 63.76 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.856 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -130.93 174.78 9.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 -177.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -103.27 3.41 35.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.032 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.6 m-20 -83.58 -82.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.43 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 97.0 m-85 -75.84 71.21 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.229 -177.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -26.67 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.18 0.514 . . . . 0.0 110.634 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.722 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.45 -19.04 65.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 1.025 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 81.9 mt -98.95 -34.49 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -83.28 -66.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.417 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.83 -49.31 16.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.656 -174.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.722 HD22 ' HA ' ' A' ' 77' ' ' ALA . 87.4 m-20 -76.53 -17.52 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.828 -166.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 1.025 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.3 m-85 -84.67 -12.83 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.884 -0.51 . . . . 0.0 111.631 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -67.44 -16.91 64.48 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -61.95 -65.88 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.601 0.239 . . . . 0.0 111.605 -172.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.7 m -81.65 23.49 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.17 140.23 14.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.491 174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 176' ' ' ILE . 12.5 pt-20 -91.98 -37.0 13.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.683 0.241 . . . . 0.0 111.202 -175.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.18 153.25 20.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.053 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.6 m-85 -130.09 136.49 49.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 111.14 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 20' ' ' VAL . 89.7 mt -108.94 123.39 49.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.47 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.3 107.13 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.46 139.71 49.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.619 0.247 . . . . 0.0 110.719 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.423 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 32.1 p90 -150.31 161.71 41.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.173 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -90.86 138.98 31.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.677 176.165 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -0.97 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 111.498 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.768 HG23 HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -86.92 -26.29 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 174.02 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -97.17 101.03 12.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.088 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.4 -23.39 63.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.877 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.64 -41.59 79.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.638 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 50.1 m -64.86 -32.41 74.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 110.55 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 138' ' ' VAL . 58.1 t80 -64.48 -42.6 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.46 62.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.243 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.0 p -55.07 -44.72 75.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.099 0.476 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.41 -35.78 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.07 -50.28 74.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.275 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.6 m-85 -57.56 -48.86 78.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.944 177.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -55.41 -57.12 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.166 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.54 -27.17 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.895 -175.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.82 -35.06 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -65.43 -47.76 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.252 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.9 mp -70.22 -14.76 62.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.447 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -70.72 -29.88 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.174 0.511 . . . . 0.0 109.896 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' A' ' 115' ' ' LYS . 17.4 m -110.37 -5.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.615 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.908 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 7.6 mmmm -138.32 94.17 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.117 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.75 -36.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.31 3.64 34.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.422 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.669 ' HG3' ' CE ' ' A' ' 115' ' ' LYS . 5.4 mm-40 -78.81 175.36 10.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.575 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.616 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -68.48 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.834 -0.166 . . . . 0.0 111.228 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.616 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 42.1 mmtm -134.67 146.0 49.09 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.2 mt -120.73 91.63 47.41 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-O 121.037 0.446 . . . . 0.0 110.223 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.678 ' HG2' HG12 ' A' ' 176' ' ' ILE . 9.0 Cg_exo -72.23 134.6 23.26 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.132 2.555 . . . . 0.0 111.748 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 82.9 mt -129.32 137.04 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.862 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 3.2 tp -132.49 122.1 24.36 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.481 ' N ' HD12 ' A' ' 124' ' ' LEU . 17.8 t -92.28 123.9 44.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.86 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 36.6 t -117.99 125.62 74.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.373 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 123.12 7.02 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -120.82 167.43 12.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.084 0.442 . . . . 0.0 110.653 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.591 ' HE3' HD21 ' A' ' 132' ' ' LEU . 44.6 tptt 67.42 36.67 3.76 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.638 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -77.06 1.33 18.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.88 10.77 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.51 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.768 HD13 HG23 ' A' ' 96' ' ' THR . 12.8 mt -91.26 -41.37 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 50.73 -64.26 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.654 1.582 . . . . 0.0 114.601 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' LEU . 12.3 pt-20 -72.18 -25.9 61.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 -175.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.8 mtp180 -91.9 25.26 2.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.007 -177.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -66.28 112.45 3.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.802 0.335 . . . . 0.0 110.292 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -106.44 -20.8 13.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.931 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 101' ' ' PHE . 69.9 t -111.19 117.83 48.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.291 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 118.73 5.62 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.923 1.748 . . . . 0.0 109.645 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -61.16 -21.57 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.94 -174.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 23.2 mp0 -57.98 -40.68 81.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 110.06 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.06 -41.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.227 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -60.86 -47.91 84.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.718 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 22.8 mtm180 -61.73 -37.58 84.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.713 176.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -59.13 -44.28 92.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.543 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 10.3 mmpt? -62.05 -42.99 99.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.641 177.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.7 -48.62 80.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.054 0.454 . . . . 0.0 110.82 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.29 -38.34 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.646 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.214 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.37 -7.4 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.737 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.12 42.89 34.82 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.455 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -125.53 -176.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.734 0.302 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -101.6 154.42 18.88 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 69.4 t80 -132.04 126.25 33.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.1 131.03 68.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 0.0 110.572 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.67 127.49 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.068 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -137.91 165.02 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.826 -177.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.7 m -158.29 131.04 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.88 -5.85 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.919 0.39 . . . . 0.0 111.614 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 160' ' ' LYS . 50.7 tptt -88.22 -15.41 35.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.505 0.669 . . . . 0.0 109.874 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.5 p -113.85 -31.07 6.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 68.78 78.14 0.22 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.6 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.71 136.14 19.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.629 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.502 ' HB2' HG22 ' A' ' 157' ' ' THR . 93.3 m-20 65.8 12.7 8.52 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.76 0.663 . . . . 0.0 112.089 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.72 -47.31 77.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.868 0.366 . . . . 0.0 110.595 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.4 -24.55 54.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.366 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -57.62 -46.39 84.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.294 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.92 -34.31 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.936 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -69.98 -56.29 7.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.907 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -63.73 -31.75 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.45 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.63 -51.01 68.96 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.018 0.437 . . . . 0.0 110.611 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 122' ' ' PRO . 31.1 tp -68.0 -39.03 83.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.656 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.0 mtp -58.07 -31.29 66.93 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -44.18 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.362 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 12.1 mt-10 -60.08 -40.26 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.424 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.809 HD13 ' HG3' ' A' ' 87' ' ' GLU . 72.0 mt -58.49 -36.24 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.271 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 181' ' ' MET . 49.1 mtp85 -65.59 -45.99 81.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 21.8 m -61.3 -35.67 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.876 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.542 ' HG3' ' HG3' ' A' ' 120' ' ' LYS . 14.4 mptt -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.945 0.402 . . . . 0.0 110.51 174.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.2 mmmt -65.56 -31.85 73.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.028 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 62.7 mtt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.686 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.501 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.8 t . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 111.319 0.118 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 47.0 mt-30 -53.8 -33.89 57.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.644 0.259 . . . . 0.0 110.905 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -58.8 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.78 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.73 85.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.276 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 402' ' ' ILE . 33.8 mm -58.09 -50.45 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 110.646 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.0 mttt -58.55 -44.44 89.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.242 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 14.3 mm-40 -63.32 -40.32 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.395 . . . . 0.0 110.565 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 439' ' ' LEU . 36.9 tt0 -65.77 -46.14 79.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.133 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.37 -53.51 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.647 174.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 61.3 mtp180 -58.7 -34.09 70.91 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -62.98 -53.0 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.714 HE21 HG23 ' B' ' 432' ' ' VAL . 15.1 mm100 -70.42 -27.7 64.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 -175.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 52.7 mt-10 -61.28 -36.06 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.03 -46.88 64.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.6 mp -56.03 -48.76 75.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.54 0.209 . . . . 0.0 111.395 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.567 HD13 HG13 ' B' ' 432' ' ' VAL . 17.3 tp -62.17 -45.83 91.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -55.85 -43.18 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.897 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -60.76 -54.55 43.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.7 mm? -57.75 -40.02 78.72 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 20.5 m170 -60.29 -47.4 86.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.426 ' HA ' HE21 ' B' ' 417' ' ' GLN . 71.9 mtp180 -72.55 -50.71 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.05 -43.05 86.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 11.2 mp -73.33 -27.75 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.4 mt-30 -62.81 -26.24 68.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.972 0.415 . . . . 0.0 110.111 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.29 -6.17 60.82 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.725 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.73 36.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.523 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 37.6 mt -119.49 116.16 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.732 0.266 . . . . 0.0 110.306 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.532 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -144.04 168.3 20.32 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.403 0.62 . . . . 0.0 110.173 173.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.591 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 23.4 t70 -149.41 169.08 21.68 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.54 -29.02 69.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.177 0.444 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 -33.24 75.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.192 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' B' ' 422' ' ' ASP . 22.5 mmtp -73.18 -42.76 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.264 -176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 3.0 mm-40 -58.67 -48.13 82.12 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.898 -177.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.1 mm-40 -64.76 -48.39 74.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.622 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.544 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.0 mmt180 -64.7 -34.66 78.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.07 -50.64 70.44 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.775 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 56.1 m95 -68.11 -32.14 72.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.779 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.899 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 41.8 mt-10 -67.77 -56.22 10.06 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.474 -177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.714 HG23 HE21 ' B' ' 405' ' ' GLN . 4.1 p -64.73 -34.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.325 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.98 -51.99 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.279 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.899 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.6 ptt180 -67.28 -29.66 69.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' B' ' 432' ' ' VAL . 59.0 mt -69.85 -40.9 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.063 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' B' ' 406' ' ' GLU . 25.8 tp -64.88 -43.84 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.82 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -67.0 -35.52 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -69.77 -35.47 74.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.226 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.6 OUTLIER -65.23 -44.02 89.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.813 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.91 -30.4 70.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.266 0.555 . . . . 0.0 109.562 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.3 tmt_? -66.32 -42.82 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.184 172.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' B' ' 439' ' ' LEU . 56.3 mtpt -57.61 -34.59 69.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -62.58 -44.37 96.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.628 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.673 ' HA ' ' NE ' ' B' ' 444' ' ' ARG . 1.8 mmp_? -83.08 -10.98 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -79.52 -22.01 44.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.324 0.583 . . . . 0.0 109.724 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.446 178.497 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -103.06 8.37 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 111.983 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.908 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 tp -129.87 103.55 6.87 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.426 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -103.57 134.87 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.328 -172.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.908 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.46 114.4 28.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.096 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.56 117.61 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.846 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 67' ' ' LEU . 66.1 mt -107.14 130.97 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.014 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.457 ' HG2' HD12 ' A' ' 90' ' ' LEU . 83.4 mtp -107.13 112.75 25.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.888 0.375 . . . . 0.0 110.465 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.41 158.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.921 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -178.1 -161.23 25.85 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -93.07 8.39 40.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.979 0.419 . . . . 0.0 110.591 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.59 -47.62 1.02 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.156 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.1 -112.72 3.64 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t 72.76 -54.82 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.634 0.774 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.44 26.77 0.36 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.822 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.753 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.4 pttp -78.41 -18.57 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.953 0.377 . . . . 0.0 111.95 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 m -77.6 -30.22 52.33 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.026 0.441 . . . . 0.0 110.524 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.95 -42.43 66.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.279 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 128' ' ' ASN . 88.5 mt -58.0 -45.65 86.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.582 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 66' ' ' ILE . 36.6 p -68.23 -40.9 81.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.332 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.25 -40.33 95.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.44 -33.85 76.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.24 -35.61 68.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.486 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -93.88 -51.57 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -98.66 -4.86 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 66.04 16.27 10.39 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.6 158.61 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.553 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -85.38 151.1 24.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.891 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.76 101.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.789 0.804 . . . . 0.0 112.325 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.44 -37.42 10.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.561 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.92 95.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.177 175.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -165.39 105.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -90.16 -66.21 0.15 Allowed Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.43 171.454 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.537 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 85.1 Cg_exo -18.91 78.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.37 1.663 1 C-N-CA 125.417 4.078 . . . . 0.0 115.165 -165.463 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.403 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 17.0 p -148.88 56.42 1.02 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.516 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.759 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -84.64 -60.18 2.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.008 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.94 -4.26 6.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 162.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.38 118.45 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.827 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m -147.3 160.93 41.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.97 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -113.7 141.47 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.021 -174.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -90.74 134.06 34.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.203 0.525 . . . . 0.0 111.095 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -98.92 141.14 32.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.103 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -108.99 121.85 46.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.58 148.15 28.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.167 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -128.2 121.29 55.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.397 0.618 . . . . 0.0 110.616 176.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.96 96.87 6.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.394 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.9 75.6 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.913 0.758 . . . . 0.0 111.974 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.73 -117.92 0.9 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.571 -1.299 . . . . 0.0 114.429 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.7 pt-20 -99.0 151.2 21.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.489 0.185 . . . . 0.0 110.95 -171.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.03 115.99 5.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.894 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.572 HG13 ' HA ' ' A' ' 13' ' ' ALA . 17.2 t -106.44 138.76 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.878 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.267 0.556 . . . . 0.0 110.623 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.3 tt -121.35 118.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -90.61 129.34 36.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.664 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 31' ' ' THR . 29.2 mm -107.89 151.39 9.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 18' ' ' ILE . 29.0 mt -130.34 103.92 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.737 0.303 . . . . 0.0 110.763 171.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.6 t0 -86.37 85.66 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 171.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -71.19 139.01 50.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.323 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.41 ' HB1' HD22 ' A' ' 72' ' ' LEU . . . -64.77 107.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.074 173.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.4 77.67 1.81 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.395 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -146.34 168.45 21.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.48 -17.12 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.216 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 4.8 m-20 -78.3 -77.83 0.15 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.239 0.542 . . . . 0.0 111.581 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 72' ' ' LEU . 71.3 m-85 -78.23 61.27 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.842 -171.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -20.18 66.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.3 0.571 . . . . 0.0 110.103 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.06 -6.02 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.621 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.524 HG21 ' O ' ' A' ' 47' ' ' LYS . 72.0 mt -101.38 -35.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -91.12 -66.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.472 0.653 . . . . 0.0 110.402 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.9 -38.93 66.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.557 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.805 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 4.3 t-20 -77.08 -17.9 58.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.224 -173.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.496 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.9 m-85 -91.83 -14.11 30.29 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.403 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.5 m-30 -58.58 -18.73 32.31 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.488 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 17.1 mmt180 -50.98 -68.89 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -86.87 32.77 0.66 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.067 0.46 . . . . 0.0 110.958 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.94 130.23 10.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.548 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 176' ' ' ILE . 10.2 mm-40 -91.15 -81.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.775 0.43 . . . . 0.0 110.568 177.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.7 144.71 17.45 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.347 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.78 128.66 49.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.0 mt -98.83 113.6 25.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.8 176.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.593 HD12 HG22 ' A' ' 125' ' ' VAL . 33.1 mt -89.6 106.4 18.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 27' ' ' LYS . 21.8 m -110.6 122.92 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.51 0.671 . . . . 0.0 111.337 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -137.74 154.93 49.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.355 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.97 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 38.4 t -91.67 145.36 24.65 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.87 -0.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.365 -178.417 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 135' ' ' ARG . 20.3 p -98.81 -20.76 16.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.066 0.46 . . . . 0.0 110.708 172.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.97 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 21.2 mm-40 -91.22 91.04 8.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.05 0.452 . . . . 0.0 110.615 -174.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -66.54 -32.28 73.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.78 -48.05 83.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.961 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.2 m -64.27 -30.5 71.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.211 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CG ' HG21 ' A' ' 138' ' ' VAL . 86.9 t80 -66.52 -47.08 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.4 m -65.43 -28.19 69.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 0.0 110.731 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.99 -17.81 63.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.297 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.519 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 74.9 p -61.58 -33.04 73.18 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 111.332 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.32 83.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.851 0.358 . . . . 0.0 110.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.94 -37.44 72.87 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.887 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.3 m-85 -57.11 -47.91 79.94 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.44 -53.75 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.516 ' HB3' ' NH2' ' A' ' 113' ' ' ARG . 49.1 mt-10 -64.94 -46.07 83.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.131 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.468 ' NE2' ' HE ' ' A' ' 113' ' ' ARG . 7.5 tp-100 -61.5 -36.78 81.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.652 0.263 . . . . 0.0 111.02 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.62 -44.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.819 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' A' ' 121' ' ' ILE . 9.6 mp -71.85 -26.94 62.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.628 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.516 ' NH2' ' HB3' ' A' ' 109' ' ' GLU . 24.9 ttm-85 -64.51 -24.36 67.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.93 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -110.57 2.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.251 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 52.8 mttm -126.38 -104.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.257 -176.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.07 5.44 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.42 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.39 21.76 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.291 0.567 . . . . 0.0 109.876 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 4.1 mm-40 -93.05 177.84 5.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.103 -172.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.32 -59.09 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 170.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.978 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 21.2 mmmt -157.91 110.36 2.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 112' ' ' LEU . 51.6 mt -72.55 107.02 2.55 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.165 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 30.2 Cg_endo -93.53 113.19 0.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.46 2.773 . . . . 0.0 112.351 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.76 121.91 44.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -107.73 113.49 26.79 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.593 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 t -83.9 116.31 27.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.806 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.503 ' HB ' HG12 ' A' ' 92' ' ' VAL . 50.1 t -117.3 116.79 53.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.016 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 108.56 3.57 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.12 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.613 HD21 HD21 ' A' ' 30' ' ' LEU . 7.8 t-20 -99.18 175.08 6.02 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 33.1 mmtp 65.6 24.87 11.68 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.569 0.543 . . . . 0.0 110.763 -175.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 t -62.13 -13.79 30.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.955 0.407 . . . . 0.0 110.697 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.53 -3.66 29.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.364 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.678 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.7 mt -77.48 -31.05 53.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 39.11 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.907 1.683 . . . . 0.0 115.208 -175.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' LEU . 8.8 mm-40 -82.52 -14.54 54.78 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.995 -0.441 . . . . 0.0 111.129 -171.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.68 -5.1 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.745 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -51.6 113.12 0.88 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.178 0.513 . . . . 0.0 110.825 -177.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -99.56 -27.2 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.192 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.4 p -98.5 123.49 50.01 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.289 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.76 112.79 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.424 2.083 . . . . 0.0 111.106 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.3 p -77.28 -13.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.65 -171.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.29 -47.73 66.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.1 -26.6 65.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 110.139 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 173.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtp180 -70.47 -42.07 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 175.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.7 t -55.89 -46.39 78.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.647 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.7 -34.92 73.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.589 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.02 98.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.213 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.43 -37.31 86.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.234 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.24 -39.62 78.38 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.138 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -82.61 -18.05 42.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.943 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.43 39.79 8.16 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.739 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.97 -174.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -112.63 156.56 22.51 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.988 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -127.89 126.29 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.015 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 23.4 t -133.47 132.93 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.498 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -86.47 137.76 32.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -128.06 140.92 51.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.018 0.437 . . . . 0.0 110.906 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.473 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 50.8 m -119.43 107.21 13.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.928 176.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.75 -9.05 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.029 0.442 . . . . 0.0 110.394 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.94 -31.31 64.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.3 t -145.89 11.99 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' A' ' 162' ' ' ARG . 4.5 tmm_? 61.73 80.6 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.189 -174.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -124.6 120.11 30.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.717 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.76 7.17 6.12 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.13 0.894 . . . . 0.0 111.473 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.72 -48.78 79.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.497 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.72 -43.95 97.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.863 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 171' ' ' ASP . 2.5 tmmm? -56.2 -52.64 63.67 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.678 -172.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.98 -32.81 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -68.34 -46.81 69.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.736 0.303 . . . . 0.0 110.769 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.542 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 75.9 m-85 -69.34 -40.58 77.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.691 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.479 ' HB2' ' HD2' ' A' ' 167' ' ' LYS . 21.5 t70 -59.08 -51.42 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.0 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.78 -36.57 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.655 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.3 mtm -63.52 -29.69 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 30.9 mmm-85 -69.15 -40.17 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.08 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 29.0 mt-10 -64.13 -37.13 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.501 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.451 HG23 ' OE1' ' A' ' 87' ' ' GLU . 79.9 mt -56.26 -54.29 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.95 -35.81 77.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 41.4 m -73.55 -42.96 61.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.147 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.978 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -70.48 -33.42 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.8 -35.51 72.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.98 0.419 . . . . 0.0 109.872 175.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 121.047 0.451 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 96.7 mt-30 -59.44 -28.25 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.294 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.83 -49.86 75.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 0.0 110.073 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -68.22 -40.33 87.79 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.856 176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.614 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.31 -52.84 47.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.591 0.23 . . . . 0.0 110.958 177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.4 mttt -59.44 -40.8 87.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.83 -40.08 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.806 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.8 mt-10 -76.45 -30.43 57.35 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.665 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.765 HG12 ' HG ' ' B' ' 439' ' ' LEU . 62.5 mt -61.45 -53.3 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' B' ' 404' ' ' ARG . 0.0 OUTLIER -62.71 -28.62 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.681 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 40.0 ttm180 -62.44 -52.08 64.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.373 174.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.6 mm-40 -70.81 -32.69 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 71.7 mt-10 -61.31 -44.01 97.93 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.95 -45.83 80.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 412' ' ' LEU . 67.7 mt -59.7 -52.32 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 57.9 tp -64.9 -32.25 73.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.19 -45.16 94.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.39 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -61.13 -49.27 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.014 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.614 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.2 mm? -55.74 -35.74 66.51 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.436 175.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -72.48 -42.57 64.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.448 ' HA ' HE21 ' B' ' 417' ' ' GLN . 47.2 ttt180 -76.06 -53.58 8.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.676 -168.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.82 -37.31 79.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.359 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.607 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 9.1 mp -68.85 -27.32 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.364 -174.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' B' ' 414' ' ' ARG . 38.8 mt-30 -60.7 -27.21 67.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.318 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.4 13.1 42.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.252 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.37 3.05 87.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.036 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.1 mt -75.42 116.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -134.75 144.04 47.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.969 0.89 . . . . 0.0 112.24 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 17.1 t70 -149.89 171.73 16.31 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -33.36 68.98 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 118.746 0.703 . . . . 0.0 109.891 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.6 p -63.45 -37.34 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.516 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.647 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -69.61 -29.67 67.23 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.35 -174.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.647 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 0.9 OUTLIER -73.35 -49.39 27.6 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 109.899 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.4 mm-40 -65.81 -45.04 83.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.414 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.497 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.8 tpt180 -67.07 -32.39 73.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 2.0 mt -55.34 -51.02 68.12 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.357 0.41 . . . . 0.0 110.218 177.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' B' ' 433' ' ' GLN . 29.5 m95 -68.42 -42.71 78.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.793 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 53.7 mt-10 -58.22 -55.9 29.05 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 12.9 p -63.28 -34.07 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.8 tp60 -55.89 -51.09 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.919 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 14.3 mtp180 -64.85 -33.85 76.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -69.73 -50.08 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.817 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.574 HD11 ' HE2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.57 -41.57 81.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.5 t -71.81 -43.29 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.268 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.79 -34.38 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.279 0.561 . . . . 0.0 109.869 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.765 ' HG ' HG12 ' B' ' 402' ' ' ILE . 23.6 tp -70.12 -35.83 74.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.597 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.574 ' HE2' HD11 ' B' ' 436' ' ' LEU . 64.3 mttm -66.24 -35.51 80.6 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.291 0.567 . . . . 0.0 109.899 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -64.28 -41.74 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.507 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.1 mmmm -57.94 -32.92 68.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.152 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.28 -48.36 82.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.421 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -81.09 -3.01 50.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -99.3 -28.29 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.523 -177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.28 -177.119 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD13 ' HB3' ' A' ' 177' ' ' ARG . 91.2 mt . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.435 0.159 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.1 9.03 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.333 0.587 . . . . 0.0 111.09 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.52 127.69 41.29 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.43 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.76 152.24 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.377 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.856 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 1.8 tpmt? -128.18 131.66 48.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.918 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.75 137.3 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.927 0.394 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.5 mt -121.88 123.44 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.7 mmt -83.32 107.78 16.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.156 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.16 171.51 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.261 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.76 171.23 28.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.426 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -73.65 -57.68 3.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.235 0.541 . . . . 0.0 110.532 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -125.83 -61.28 0.16 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.935 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . 155.37 66.03 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.824 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -60.97 -40.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -159.59 56.81 0.33 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.694 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.935 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 10.6 mtpp -95.25 -74.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.768 0.318 . . . . 0.0 111.636 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' THR . 1.1 m -70.39 -16.01 62.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.696 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.09 -52.12 21.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.871 0.367 . . . . 0.0 110.654 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.69 -36.46 84.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.532 -177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 35' ' ' MET . 34.5 p -71.52 -41.31 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.473 -177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 40' ' ' VAL . 29.9 tp -62.35 -35.97 80.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.819 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 44.4 mt-30 -66.65 -33.17 75.06 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.173 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.26 -27.46 62.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.372 0.606 . . . . 0.0 110.353 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 31' ' ' THR . 80.9 mtp -79.59 -61.26 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.938 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -101.95 -3.31 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' CG ' HH12 ' A' ' 162' ' ' ARG . 3.2 t70 67.42 16.43 10.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.484 0.659 . . . . 0.0 110.92 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.63 171.64 8.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.231 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -92.99 144.4 25.29 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 32' ' ' LEU . 5.7 p -70.1 127.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.36 -66.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -140.74 110.56 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.048 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -147.53 115.12 6.36 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 35.6 tt0 -94.73 -65.58 0.11 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 87.5 Cg_exo -43.45 -92.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 123.417 2.745 . . . . 0.0 114.979 -163.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.895 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 7.8 p 53.02 21.79 2.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -86.11 -41.71 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.72 21.34 8.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.649 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.895 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.4 m-20 -82.63 77.62 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.535 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 49.8 m -92.1 147.15 23.16 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -140.57 126.29 19.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.497 . . . . 0.0 110.946 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -75.18 104.51 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -105.42 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.044 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -102.0 118.63 37.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.46 152.77 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.189 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -143.4 128.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.058 0.456 . . . . 0.0 110.84 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.97 96.11 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 35.42 75.0 0.06 Allowed 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.266 0.979 . . . . 0.0 112.488 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.22 -113.84 0.57 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.8 pt-20 -96.41 151.92 19.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.833 0.349 . . . . 0.0 111.571 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.99 112.42 12.4 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.12 142.69 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.192 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -113.17 121.29 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.554 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.49 136.22 61.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.856 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 13.9 t0 -118.15 136.4 53.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' SER . 69.9 mt -108.27 119.71 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.653 -171.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 20.0 tp -106.19 136.18 46.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.723 172.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -120.11 115.91 24.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 110.057 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.2 p -76.92 141.32 40.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.02 130.59 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.299 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.653 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.74 65.28 4.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.312 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.27 159.88 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.314 . . . . 0.0 111.049 -178.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.1 14.95 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.9 m-20 -90.52 -77.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.394 0.616 . . . . 0.0 111.24 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.523 ' H ' HD13 ' A' ' 72' ' ' LEU . 66.7 m-85 -76.49 75.26 3.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.366 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.68 -13.54 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.91 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.63 -15.95 63.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.073 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.695 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 42.6 mt -94.74 -27.35 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.647 ' HE ' ' HG2' ' A' ' 110' ' ' GLN . 45.6 ttt180 -92.37 -65.77 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.493 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.43 -48.55 26.92 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.313 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.91 HD22 ' HA ' ' A' ' 77' ' ' ALA . 55.7 m-80 -67.91 -31.88 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.695 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.7 m-85 -82.18 -14.6 55.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.52 ' HB2' HG21 ' A' ' 114' ' ' VAL . 7.1 m-30 -67.4 -16.97 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -52.91 -61.01 2.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.972 0.415 . . . . 0.0 111.138 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 m -87.23 19.58 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.704 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.86 130.79 10.47 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.258 -0.973 . . . . 0.0 111.969 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 30.1 mt-10 -98.59 -70.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.74 132.0 10.95 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.962 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.9 m-85 -119.86 121.34 38.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.052 0.453 . . . . 0.0 111.019 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.8 mt -93.75 115.07 27.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.2 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 mt -92.88 106.27 18.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 126' ' ' VAL . 17.0 m -109.74 132.22 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.221 0.534 . . . . 0.0 112.047 -173.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.05 152.18 43.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.764 . . . . 0.0 108.956 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 t -101.15 143.3 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 -1.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.331 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.475 ' CG2' HD22 ' A' ' 132' ' ' LEU . 22.3 p -87.54 -25.87 23.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.196 173.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -112.19 102.08 10.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 101' ' ' PHE . 59.9 t-80 -74.7 -24.52 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.325 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.23 -47.04 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.9 m -67.69 -20.04 65.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.21 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 45.4 t80 -70.67 -47.5 59.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -64.96 -31.89 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.373 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.06 -15.31 63.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.574 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.521 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.0 p -59.03 -35.57 73.53 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.079 0.466 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -38.26 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.047 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.08 -43.48 92.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.1 m-85 -57.41 -48.07 80.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.333 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -55.9 -53.34 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.87 -32.93 73.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.438 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.647 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 7.0 tp-100 -68.61 -30.83 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.2 mt -75.12 -43.93 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.392 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.59 -21.99 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.663 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 13.4 ttt85 -51.99 -43.96 63.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.957 174.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 83' ' ' PHE . 11.6 m -99.15 -9.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 62.1 mttm -120.92 -99.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.909 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.39 -69.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.032 0.933 . . . . 0.0 112.594 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.9 22.1 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -170.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -85.65 -78.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.466 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -147.39 -95.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.024 -0.423 . . . . 0.0 111.225 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.603 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 75.4 mmtt -141.15 128.16 20.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.4 mt -104.83 99.32 18.27 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.373 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 14.9 Cg_exo -68.46 104.35 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.593 2.195 . . . . 0.0 111.703 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 89' ' ' PHE . 50.3 mt -100.44 143.01 31.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.485 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 153' ' ' GLN . 7.0 tp -139.62 119.3 13.19 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.029 0.442 . . . . 0.0 110.054 176.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.2 t -87.57 114.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.751 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.789 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.1 t -113.06 117.67 55.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.3 101.6 2.45 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.572 HD22 ' HB ' ' A' ' 92' ' ' VAL . 7.6 p30 -89.49 146.6 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.4 0.619 . . . . 0.0 111.703 -175.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.597 ' HG2' HD23 ' A' ' 132' ' ' LEU . 77.1 tttt 60.36 73.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.73 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 p -89.8 7.19 38.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.432 0.634 . . . . 0.0 109.365 171.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.61 -19.55 63.64 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -71.76 -49.4 39.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.126 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.88 -71.53 0.09 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 112.765 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.876 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.6 pt-20 -56.54 -36.17 68.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -171.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.876 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 94.6 mtt180 -96.19 27.42 3.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.895 -169.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.664 HH11 ' HB ' ' A' ' 140' ' ' VAL . 14.4 ttm180 -69.44 112.42 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.405 . . . . 0.0 109.933 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -92.98 -26.31 17.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.067 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.31 117.89 56.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.002 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.663 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 38.0 Cg_exo -59.72 111.49 0.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.112 1.875 . . . . 0.0 109.584 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.664 ' HB ' HH11 ' A' ' 136' ' ' ARG . 2.9 p -67.47 -10.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -167.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.22 -30.13 69.97 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.298 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.8 pt-20 -75.23 -22.66 57.74 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.648 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -73.7 -41.96 61.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.08 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.5 mtp180 -63.75 -34.85 78.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.995 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.5 t -55.91 -45.46 78.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.625 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.2 mmtt -69.98 -36.19 75.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.588 0.233 . . . . 0.0 111.223 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.3 88.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.34 -32.85 70.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.83 -42.95 99.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.014 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -92.31 -13.4 30.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.52 37.23 12.35 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.576 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.7 m -119.67 179.12 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.498 0.189 . . . . 0.0 110.629 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.674 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.4 pt20 -99.4 158.16 15.92 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.531 176.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -127.47 125.86 41.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.36 126.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.577 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.24 132.66 33.83 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 128' ' ' ASN . 20.7 p -116.9 130.08 56.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.063 0.459 . . . . 0.0 111.134 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.6 m -105.57 114.38 28.51 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -88.03 -13.84 40.56 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.407 -173.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.68 -40.0 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.213 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.8 p -100.43 -8.47 23.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.103 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.49 HH12 ' CG ' ' A' ' 37' ' ' ASP . 61.4 mtm180 58.99 70.7 0.63 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.774 -173.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.6 122.36 41.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.504 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 73.96 9.3 4.72 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.988 0.805 . . . . 0.0 111.347 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.63 -55.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.47 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.0 -35.33 74.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.246 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -56.96 -53.54 56.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.514 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.01 -28.75 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.78 -48.84 23.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.1 m-85 -70.04 -45.6 66.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.459 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -46.7 82.08 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.283 0.365 . . . . 0.0 110.963 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 176' ' ' ILE . 48.0 tp -61.5 -46.05 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 59.2 mtm -61.66 -30.55 70.8 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.575 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 15.6 mmt180 -65.53 -50.17 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.934 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 16.2 mt-10 -61.1 -36.09 78.75 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.366 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.586 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.6 mt -55.47 -40.91 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.207 0.317 . . . . 0.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 12' ' ' LEU . 54.7 mtt180 -61.21 -44.46 97.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.088 0.47 . . . . 0.0 110.313 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.6 m -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.518 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 67.9 mmtt -67.11 -48.52 67.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.631 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 23.5 mtpp -67.53 -27.6 67.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.181 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.9 mtm . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.184 177.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.4 ' O ' HG12 ' B' ' 398' ' ' ILE . 24.0 m . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.28 -28.9 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.72 -55.61 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.2 -40.43 94.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.957 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.44 ' O ' HG13 ' B' ' 402' ' ' ILE . 36.3 mm -56.85 -52.03 60.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.67 0.271 . . . . 0.0 110.769 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.11 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.937 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -62.15 -39.49 92.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.68 -34.07 64.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.621 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.651 ' HA ' HD23 ' B' ' 439' ' ' LEU . 40.8 mt -59.47 -53.36 49.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.808 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -64.78 -29.65 70.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.368 . . . . 0.0 110.531 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 51.1 ttp180 -63.91 -46.02 86.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.221 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -71.9 -38.48 69.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -63.17 -34.08 76.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.988 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -72.94 -38.91 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.423 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.12 -43.5 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.13 -42.85 77.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.394 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 18.2 t -62.27 -55.17 30.97 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.4 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.3 mm? -54.51 -39.3 67.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.849 176.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.417 ' HD2' HD21 ' B' ' 429' ' ' LEU . 18.1 m170 -62.02 -44.56 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -77.11 -48.47 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -44.86 91.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.21 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -74.9 -26.48 59.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.237 -176.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.26 -25.21 67.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.92 -7.75 81.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.576 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 111.06 -17.35 27.07 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.862 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.651 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.1 mt -83.72 116.45 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -147.72 145.94 29.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.587 0.708 . . . . 0.0 110.343 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.2 t70 -129.98 161.28 31.29 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.6 mm? -60.82 -33.81 73.59 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.343 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.5 m -65.53 -32.11 73.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.56 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 59.7 mmtt -69.24 -45.97 68.47 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.006 -176.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.66 -38.62 91.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.241 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 31.5 mt-10 -66.17 -45.5 80.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.219 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.646 ' O ' HG23 ' B' ' 432' ' ' VAL . 25.1 tpt180 -65.97 -34.94 79.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.466 -177.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 429' ' ' LEU . 3.8 mt -57.24 -51.83 67.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.883 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.658 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 55.7 m95 -63.92 -30.98 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.91 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 23.4 mt-10 -63.32 -54.69 33.03 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.22 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 428' ' ' ARG . 9.9 t -58.22 -37.18 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 29.2 tp60 -57.27 -54.02 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.331 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.609 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.06 -25.73 62.76 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.873 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -68.1 -50.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -40.83 94.25 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.403 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.609 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.5 t -68.72 -38.46 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.772 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.81 -34.76 74.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.362 0.601 . . . . 0.0 109.82 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' B' ' 402' ' ' ILE . 5.3 tp -67.23 -39.62 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.027 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -65.27 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.084 0.468 . . . . 0.0 109.79 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.88 -41.64 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -59.97 -38.67 83.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.891 175.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.535 ' HB2' HD11 ' B' ' 402' ' ' ILE . 59.2 tp -62.43 -49.97 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.407 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -70.43 -9.55 56.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.32 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -91.15 -17.06 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.048 -178.368 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 81.6 mt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.551 0.215 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.7 6.53 47.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 tp -128.57 121.66 29.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.714 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -134.46 128.69 33.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.603 ' HD2' ' NH2' ' B' ' 434' ' ' ARG . 30.8 mmtp -109.66 120.19 41.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.97 132.06 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 0.0 110.762 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -119.77 122.06 67.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.962 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.4 ttm -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 91' ' ' LEU . 19.9 m -95.45 165.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 111.125 -173.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.83 121.24 0.86 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.644 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 1.5 p -70.47 -60.52 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.578 0.222 . . . . 0.0 111.21 -176.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.99 -48.21 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.95 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.596 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 159.94 -53.15 0.36 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.52 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 93' ' ' PHE . 24.4 m 44.33 30.28 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.12 12.24 60.37 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.596 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 60.7 pttt -65.43 -47.48 76.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.985 0.893 . . . . 0.0 112.237 -177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -63.01 -18.78 63.69 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.8 -39.47 66.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.7 0.286 . . . . 0.0 110.926 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 128' ' ' ASN . 89.6 mt -73.68 -41.17 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.447 -174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -61.62 -44.74 96.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' HG22 ' A' ' 40' ' ' VAL . 3.9 mm? -67.66 -26.7 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.96 HE22 ' HA ' ' A' ' 39' ' ' PHE . 73.5 mm-40 -61.84 -47.65 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.3 0.572 . . . . 0.0 109.815 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -71.82 -18.85 62.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.81 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.2 mtp -93.62 -62.41 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.85 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -104.48 -12.45 16.5 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 70.2 21.76 5.79 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 0.0 110.963 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.41 154.02 33.13 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.139 -0.351 . . . . 0.0 110.85 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.96 ' HA ' HE22 ' A' ' 33' ' ' GLN . 51.0 t80 -80.06 124.46 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 32' ' ' LEU . 13.8 t -54.23 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.951 0.782 . . . . 0.0 112.501 -165.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.11 -47.25 10.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.974 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.07 97.28 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.015 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -168.97 91.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.76 ' H ' ' HD3' ' A' ' 45' ' ' PRO . 4.6 mm-40 -118.93 -7.58 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -174.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.76 ' HD3' ' H ' ' A' ' 44' ' ' GLU . 3.4 Cg_exo -80.47 36.12 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 122.185 1.816 . . . . 0.0 113.056 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -87.22 58.44 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.0 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -86.06 -58.92 2.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -127.73 -36.0 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.616 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -55.14 116.41 2.78 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.78 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 p -153.85 150.71 28.7 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.464 -174.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.503 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 15.9 m-85 -124.7 148.37 48.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -92.0 146.44 23.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.436 0.636 . . . . 0.0 111.3 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.57 142.59 32.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.685 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 35.2 ttmt -106.77 118.12 35.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.224 174.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.0 m -129.94 157.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.068 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -144.05 129.27 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.381 0.61 . . . . 0.0 110.794 175.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.7 98.27 7.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.544 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 71.77 -39.1 0.44 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.061 0.85 . . . . 0.0 113.201 176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.19 -116.11 3.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.685 -0.769 . . . . 0.0 114.723 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 pt-20 -107.1 163.89 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.369 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 54' ' ' LYS . 62.8 mt-10 -63.43 122.48 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.38 0.609 . . . . 0.0 111.112 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.64 147.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.507 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.21 137.72 51.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.9 117.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.1 141.72 29.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.007 0.432 . . . . 0.0 110.562 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mm -108.38 122.59 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.274 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 HD22 ' CH2' ' B' ' 430' ' ' TRP . 43.7 tp -102.44 115.83 31.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.27 -35.45 68.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.265 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m 71.68 152.62 0.12 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.711 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.78 108.21 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.644 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -91.3 42.84 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.916 -169.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -119.15 179.18 4.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.051 0.425 . . . . 0.0 110.856 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.66 -29.1 21.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.753 -171.239 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -68.71 0.24 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.923 0.868 . . . . 0.0 109.976 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.444 ' HA ' ' CD ' ' B' ' 417' ' ' GLN . 70.0 m-85 -83.93 52.59 2.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.412 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.99 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.66 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.09 -28.14 69.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.305 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.802 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 3.5 mt -86.91 -23.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.293 0.568 . . . . 0.0 109.956 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -92.53 -65.37 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.677 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -76.89 -54.43 6.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 111.339 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 54.5 m-20 -69.11 -38.56 78.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.467 -169.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.802 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.5 m-85 -67.39 -22.53 65.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.626 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.9 m-30 -72.05 -6.14 40.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.464 HH21 ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -59.93 -65.32 0.7 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -178.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.537 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 1.4 t -89.09 30.85 0.91 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 111.403 -171.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.13 163.91 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 62.8 mt-10 -115.53 -75.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.384 0.592 . . . . 0.0 110.462 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.58 139.75 14.67 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.873 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -117.37 132.88 56.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.541 . . . . 0.0 111.46 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.9 mt -102.54 111.79 24.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 125' ' ' VAL . 24.9 mt -90.49 106.11 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.689 HG12 ' HB ' ' A' ' 126' ' ' VAL . 35.1 m -113.14 146.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.999 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' HG21 ' A' ' 25' ' ' VAL . 47.2 p90 -156.24 145.59 20.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 176.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 m -77.15 130.87 37.9 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.99 3.34 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.499 ' CG2' HD13 ' A' ' 132' ' ' LEU . 15.3 p -90.85 -26.91 19.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.212 0.529 . . . . 0.0 110.537 171.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -96.69 94.19 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.108 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.11 -24.59 65.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.9 -46.08 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.904 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -68.53 -25.07 64.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 73.8 t80 -69.56 -46.26 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.216 176.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.3 m -64.8 -27.83 69.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.325 0.583 . . . . 0.0 110.331 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.96 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.131 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 49.4 p -61.88 -33.4 74.13 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.613 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.865 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.0 tp10 -61.52 -41.32 97.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.054 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.0 m-85 -58.49 -49.73 76.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.6 -48.38 77.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.817 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.61 -28.47 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.657 0.265 . . . . 0.0 111.019 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -65.19 -41.88 94.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 109.848 175.163 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 107' ' ' PHE . 72.7 mt -68.71 -43.23 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.34 -18.27 65.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.872 0.368 . . . . 0.0 110.611 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 41.0 ttt85 -75.79 -47.12 27.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.032 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 83' ' ' PHE . 24.9 m -84.76 -19.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.091 -174.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -108.25 -81.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.686 0.279 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.77 -60.96 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.095 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.47 77.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.059 0.457 . . . . 0.0 111.763 -171.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.51 -165.83 2.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.169 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.61 -86.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -136.44 144.35 44.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.899 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mt -120.75 98.79 47.72 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.473 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.4 Cg_endo -86.94 131.44 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.346 2.698 . . . . 0.0 112.684 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.31 122.67 36.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.31 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.9 tp -111.58 115.64 29.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.57 HG22 HD12 ' A' ' 91' ' ' LEU . 11.1 t -84.06 117.15 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.911 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.689 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -118.08 117.84 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.838 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.437 ' HA3' ' OE2' ' A' ' 156' ' ' GLU . . . -79.49 127.55 8.05 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.482 HD22 HD11 ' A' ' 30' ' ' LEU . 17.4 t-20 -119.43 163.77 16.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.941 0.371 . . . . 0.0 110.5 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 72.9 mmtt 70.24 22.0 5.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.579 0.549 . . . . 0.0 110.398 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.0 m -63.18 -1.06 0.89 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.399 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.95 -13.49 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.348 0.594 . . . . 0.0 109.736 171.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.0 mt -89.76 54.26 2.81 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.296 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.63 -26.87 68.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.75 0.309 . . . . 0.0 111.591 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.48 0.28 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.986 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.4 mtp180 -124.21 11.7 8.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.741 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.56 113.24 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.995 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.58 -27.69 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.455 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 10.4 p -101.97 121.1 51.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.822 177.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 15.7 Cg_exo -68.23 124.17 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.555 2.17 . . . . 0.0 112.126 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.497 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.9 OUTLIER -50.68 -29.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.711 175.397 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.76 -54.52 45.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.8 -29.06 65.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.834 0.35 . . . . 0.0 110.475 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -66.01 -49.41 67.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -65.28 -34.1 77.56 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.567 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -54.99 -48.39 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.338 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -63.16 -39.99 96.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.72 -45.22 95.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.72 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.48 -37.66 88.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.578 0.704 . . . . 0.0 109.838 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.37 -42.78 99.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -92.24 -3.4 55.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.51 44.38 50.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.352 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.61 -175.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.643 0.259 . . . . 0.0 110.906 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -104.44 141.01 37.1 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.858 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.516 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 81.9 t80 -116.54 114.41 24.12 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.3 135.76 63.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.437 ' OE2' ' HA3' ' A' ' 127' ' ' GLY . 23.3 mm-40 -85.37 133.17 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.5 p -125.05 128.53 48.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.638 0.733 . . . . 0.0 111.222 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.4 m -98.51 136.28 38.85 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -109.09 -21.04 12.79 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.793 -172.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -84.18 -39.92 18.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.4 p -90.82 -18.15 25.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 64.33 86.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.996 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.99 134.01 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.235 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 66.38 13.37 9.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.653 0.781 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.1 t -68.09 -53.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.787 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.54 -33.98 77.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.269 0.557 . . . . 0.0 110.16 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.64 -52.62 59.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.023 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.2 m -61.98 -27.43 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -74.91 -47.28 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.657 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.4 -43.17 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -42.81 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 111.381 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -63.76 -42.4 97.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.251 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.8 mtm -64.91 -30.88 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 13.0 mmt180 -64.47 -42.98 95.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.059 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 mt-10 -61.44 -41.05 96.58 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.769 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.75 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 63.3 mt -58.33 -26.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.917 0.389 . . . . 0.0 110.796 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.555 ' NH1' ' HB3' ' A' ' 12' ' ' LEU . 32.3 mmt180 -62.76 -48.97 76.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -63.43 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.75 ' HG2' ' HA ' ' A' ' 176' ' ' ILE . 38.9 mmtt -64.64 -46.85 80.76 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.5 mmtt -65.31 -46.4 80.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.281 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.282 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.596 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.8 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.636 0.255 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.2 mt-30 -61.43 -29.56 70.02 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.86 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.17 -50.08 72.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.465 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.99 -34.4 70.8 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.872 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 394' ' ' THR . 39.6 mm -59.46 -53.54 46.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.326 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.2 mttt -57.87 -44.37 86.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.687 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.8 -40.63 93.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 22.3 tt0 -75.44 -37.01 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.681 HG12 ' HB3' ' B' ' 439' ' ' LEU . 75.4 mt -53.4 -52.75 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.27 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -61.16 -35.84 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.52 -42.65 99.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.538 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.725 HE21 HG23 ' B' ' 432' ' ' VAL . 16.1 mm100 -76.27 -34.54 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 62.6 mt-10 -63.32 -38.95 93.16 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.0 -46.22 85.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.525 ' O ' HD23 ' B' ' 412' ' ' LEU . 28.3 mt -57.68 -45.67 85.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.716 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.9 tp -61.24 -47.62 85.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.382 0.61 . . . . 0.0 109.471 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.72 -44.11 85.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.798 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 80.0 p -60.74 -51.97 67.11 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.931 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.9 -44.54 78.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 2.6 m-70 -57.84 -49.99 74.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.384 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.01 -30.52 55.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.726 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.98 -49.49 51.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 429' ' ' LEU . 69.7 mt -65.49 -36.63 84.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.784 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 6.8 mt-30 -70.99 -9.28 57.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.03 -12.76 80.57 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.027 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 117.24 32.49 1.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.926 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 66.7 mt -137.85 144.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.487 ' HA ' HD22 ' B' ' 416' ' ' LEU . 2.3 pttm -161.12 150.2 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.187 0.518 . . . . 0.0 110.872 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.609 ' HB3' ' HE2' ' B' ' 425' ' ' LYS . 18.3 t70 -149.49 158.02 43.8 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 427' ' ' GLU . 8.4 mp -58.22 -30.12 66.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.087 0.403 . . . . 0.0 111.27 -176.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.19 -34.34 77.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HE2' ' HB3' ' B' ' 422' ' ' ASP . 39.1 mmtt -72.98 -43.55 62.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.197 -176.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 422' ' ' ASP . 0.5 OUTLIER -58.41 -47.18 84.77 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.872 -178.447 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.3 mm-40 -65.51 -38.26 89.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.255 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.631 ' O ' HG12 ' B' ' 432' ' ' VAL . 9.0 mmt180 -60.52 -38.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.683 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.552 HD11 HD12 ' B' ' 416' ' ' LEU . 16.5 mt -55.76 -48.58 75.03 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 123.441 0.463 . . . . 0.0 110.562 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 89.5 m95 -71.75 -37.71 70.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.957 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 52.9 mt-10 -59.94 -54.9 40.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.142 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.725 HG23 HE21 ' B' ' 405' ' ' GLN . 7.6 p -63.78 -33.61 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.355 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.1 tp60 -56.37 -51.41 68.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.563 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.603 ' NH2' ' HD2' ' A' ' 16' ' ' LYS . 4.5 mpt_? -68.8 -31.88 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 111.262 -177.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 39.5 mt -67.56 -47.63 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 109.771 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.7 tm? -59.07 -45.17 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.503 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 6.6 t -69.28 -34.46 74.76 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.084 0.468 . . . . 0.0 110.681 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.47 -39.6 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' B' ' 442' ' ' LYS . 1.6 mp -61.43 -37.25 82.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.682 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 58.8 mmtt -58.31 -42.71 87.29 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.659 0.742 . . . . 0.0 109.462 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.79 -43.05 97.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.827 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.689 ' HD3' HD12 ' B' ' 439' ' ' LEU . 28.5 mtpp -58.27 -35.77 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.242 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 37.7 tp -63.32 -39.75 95.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.847 0.356 . . . . 0.0 110.561 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -82.12 -6.2 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.564 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.78 -35.51 14.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.395 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.216 0.055 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 61' ' ' GLU . . . 63.38 3.2 1.33 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 tp -129.57 112.12 13.4 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CD2' HG13 ' A' ' 62' ' ' VAL . 27.6 m-70 -136.43 138.25 41.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 70.6 mmtt -120.93 120.03 34.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.512 0.196 . . . . 0.0 110.888 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.85 123.5 65.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.8 mt -109.27 135.53 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 90' ' ' LEU . 92.4 mmm -97.6 114.4 26.32 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.0 m -107.82 162.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.697 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.63 165.94 26.86 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -71.26 95.93 1.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.459 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 71.57 -75.19 0.7 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.724 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.27 80.71 0.07 OUTLIER Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.43 -67.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.11 26.22 0.2 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.479 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.5 pttp -78.39 -15.66 58.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.268 . . . . 0.0 111.428 -175.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HD23 ' A' ' 32' ' ' LEU . 26.6 m -78.92 -29.22 44.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.948 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.25 -44.04 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 159' ' ' ALA . 95.4 mt -66.39 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.88 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 66' ' ' ILE . 22.1 p -68.02 -45.57 73.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.335 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 28' ' ' SER . 4.6 mm? -63.18 -31.21 72.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -61.68 -56.22 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.887 174.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.99 -36.94 80.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 53' ' ' LYS . 8.2 tpp -69.7 -49.3 54.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.765 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 47.4 m-85 -106.84 -81.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.684 -177.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 35.1 t70 164.45 -29.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.0 0.812 . . . . 0.0 110.358 -177.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.09 165.63 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.835 -172.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -88.1 125.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.068 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.91 150.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.336 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -91.11 19.38 5.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.0 109.924 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.9 t70 67.59 109.34 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.424 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 97.5 m-85 -72.42 159.41 34.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.208 175.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 44.9 mt-10 -77.5 -49.01 2.28 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.849 167.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.4 Cg_endo -60.52 -108.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 123.001 2.468 . . . . 0.0 114.656 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.492 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 23.4 p 53.62 33.49 16.59 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.604 0.761 . . . . 0.0 111.404 -173.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.07 -56.23 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.297 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.43 18.93 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.697 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' A' ' 45' ' ' PRO . 22.1 m-20 -85.89 95.49 9.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.03 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -104.09 145.19 30.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.1 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -131.06 145.73 52.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.624 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 33.0 ttm180 -101.75 113.69 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.095 0.474 . . . . 0.0 110.938 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 51.6 tptt -98.14 121.41 40.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.864 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 34.7 ttmt -90.72 118.2 29.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.263 0.554 . . . . 0.0 110.924 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.83 168.05 20.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 1.5 p -134.35 113.54 17.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.5 HD21 ' CD1' ' A' ' 170' ' ' PHE . 96.7 mt -88.92 99.09 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.895 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 70.2 -47.67 0.63 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.859 0.864 . . . . 0.0 112.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.47 32.07 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.26 -0.972 . . . . 0.0 113.924 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -127.46 119.12 25.4 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 170.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 32.3 mt-10 -70.11 111.72 5.96 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' GLU . 20.4 t -103.88 137.94 30.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -166.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 46.7 mt-30 -112.93 116.17 29.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 53' ' ' LYS . 10.9 tt -118.52 115.53 48.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.315 0.579 . . . . 0.0 110.397 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.17 127.18 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.582 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' CG2' ' A' ' 31' ' ' THR . 48.5 mm -107.93 127.93 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.805 0.336 . . . . 0.0 111.298 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.2 mt -111.6 118.84 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.476 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 32.2 t0 -90.22 86.55 6.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -68.34 138.69 55.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.453 -172.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.3 113.46 8.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.509 173.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.417 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -86.24 76.21 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.85 -175.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -149.16 178.51 8.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.89 -29.85 68.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.342 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.546 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 6.0 m-20 -88.48 -164.41 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.12 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' HD12 ' A' ' 78' ' ' ILE . 14.5 m-85 43.57 42.61 4.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.492 0.663 . . . . 0.0 111.975 -176.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -14.66 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.326 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.1 -14.19 61.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.785 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 19.3 mt -97.53 -37.97 7.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.373 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -92.29 -65.31 1.01 Allowed 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.654 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.482 ' OD1' ' HD3' ' B' ' 421' ' ' LYS . 4.6 t70 -60.06 -50.73 72.54 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 111.518 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 34.6 m-80 -73.92 -25.99 60.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.852 -171.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 4.0 m-85 -88.31 -36.88 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.482 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.7 m-30 -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.362 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -48.8 -65.91 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.856 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.474 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 4.8 t -87.82 24.74 1.68 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.45 0.643 . . . . 0.0 110.019 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.96 -177.84 51.94 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.5 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 36.3 tt0 -143.85 -79.27 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.06 147.95 16.35 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.855 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD12 ' A' ' 18' ' ' ILE . 81.7 m-85 -134.01 133.96 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.981 0.391 . . . . 0.0 111.208 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 124' ' ' LEU . 81.2 mt -108.79 122.02 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.14 107.78 19.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -110.47 126.43 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.131 0.491 . . . . 0.0 110.516 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.59 155.38 48.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -97.16 141.14 30.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.63 -4.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.337 -178.336 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 p -88.06 -42.2 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -86.37 95.83 9.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -64.34 -24.17 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.19 -37.93 89.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.301 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 m -64.9 -31.85 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.63 -40.2 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.637 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.7 m -73.75 -33.51 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -23.1 67.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.192 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 76.8 p -56.7 -37.57 71.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.83 95.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.551 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 20.3 tt0 -61.62 -42.98 99.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.615 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.6 m-85 -57.77 -51.4 69.71 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.299 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -58.53 -54.41 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.281 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.7 -31.08 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 4.9 tp-100 -70.31 -34.44 72.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.361 . . . . 0.0 110.387 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 121' ' ' ILE . 54.7 mt -71.14 -41.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.277 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.2 mp -66.54 -23.99 66.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -71.52 -38.14 71.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 83' ' ' PHE . 34.8 m -91.64 -30.15 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 60.8 mttm -101.81 -100.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.325 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.95 -56.38 0.43 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.067 0.947 . . . . 0.0 113.364 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.48 0.4 29.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 -152.06 0.39 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.751 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.04 -83.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 74.9 mmtt -138.61 153.19 48.63 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.485 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 111' ' ' ILE . 36.6 mt -126.7 97.86 32.43 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.801 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.711 ' HG3' ' HG2' ' A' ' 179' ' ' LYS . 3.7 Cg_exo -80.78 115.3 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.265 2.644 . . . . 0.0 112.165 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.65 160.84 15.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.381 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.6 tp -150.73 118.07 6.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.468 ' N ' HD12 ' A' ' 124' ' ' LEU . 24.6 t -90.72 121.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.293 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.692 ' HB ' HG12 ' A' ' 92' ' ' VAL . 58.9 t -115.7 123.99 71.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.705 -176.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.35 106.36 2.09 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -99.51 142.46 30.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.589 ' HG3' HD23 ' A' ' 132' ' ' LEU . 59.0 tptt 66.11 63.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.435 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 m -77.51 -4.79 47.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.815 0.817 . . . . 0.0 108.966 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' A' ' 129' ' ' LYS . 32.5 t70 -76.53 66.72 2.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.728 -177.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -168.07 -52.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.304 176.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 132' ' ' LEU . 38.0 tt0 64.95 -67.23 0.12 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.849 0.86 . . . . 0.0 112.835 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.884 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.5 pt-20 -56.84 -34.68 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.884 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 87.6 mtt180 -95.79 19.0 11.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -170.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.677 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -70.36 114.42 8.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.719 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.68 -20.26 26.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.45 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.5 p -118.58 118.23 33.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.885 0.374 . . . . 0.0 110.788 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 34.3 Cg_exo -60.56 128.33 25.58 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.639 2.226 . . . . 0.0 112.709 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.0 OUTLIER -56.82 -27.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.247 177.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.35 -39.83 73.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.627 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.98 -19.77 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.736 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -67.94 -44.77 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.04 -33.49 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.1 0.476 . . . . 0.0 109.718 176.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.9 t -57.48 -49.53 75.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.858 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 25.6 mmtp -59.97 -41.27 91.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.655 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.31 98.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 0.0 110.511 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.17 -29.52 66.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.27 -40.27 95.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -82.97 -12.89 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.616 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 22.91 48.81 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.272 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.3 m -110.89 167.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 111.108 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.684 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -91.78 156.14 17.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.42 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -120.56 121.82 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.6 135.61 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.469 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.68 121.48 28.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.647 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -132.0 129.77 40.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -136.53 130.56 32.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.962 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.571 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -84.4 8.41 16.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.038 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -88.59 -20.1 25.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.835 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -0.15 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.678 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 162' ' ' ARG . 36.3 mtp-105 59.68 36.35 22.43 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.26 131.93 52.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 65.95 9.61 6.28 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.745 0.818 . . . . 0.0 112.437 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.51 -52.79 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.908 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.68 -31.88 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.096 0.474 . . . . 0.0 110.57 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -58.31 -52.54 65.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.389 -173.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.68 -29.45 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.26 -45.18 41.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.5 ' CD1' HD21 ' A' ' 57' ' ' LEU . 19.4 m-85 -67.55 -45.66 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.554 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.49 -50.87 68.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.3 tp -61.76 -44.33 97.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.578 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.0 mtm -63.96 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.943 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 12.3 mmm180 -67.65 -39.85 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.506 0.193 . . . . 0.0 110.957 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.38 -30.82 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 173' ' ' MET . 66.5 mt -56.94 -29.57 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.389 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.8 m -69.11 -30.0 68.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.385 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.711 ' HG2' ' HG3' ' A' ' 122' ' ' PRO . 14.4 mptt -66.78 -57.45 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.626 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -74.92 -23.99 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -172.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm . . . . . 0 C--N 1.326 -0.435 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.044 174.352 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.425 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.5 m . . . . . 0 CA--C 1.535 0.378 0 CA-C-O 120.12 0.01 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -61.24 -33.49 73.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.565 0.221 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.15 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.46 93.35 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.784 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.448 HG21 ' HA ' ' B' ' 443' ' ' LEU . 32.7 mm -54.49 -47.49 70.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 0.0 110.306 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 97.6 mttt -60.57 -45.52 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.525 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.25 -34.79 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.724 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.08 -45.85 72.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' B' ' 439' ' ' LEU . 88.4 mt -53.25 -52.63 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.648 175.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 68.1 mtp180 -62.88 -34.09 76.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.763 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.9 -46.59 88.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.511 ' OE1' HG23 ' B' ' 432' ' ' VAL . 75.6 mm-40 -75.25 -32.21 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.711 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.48 -43.25 93.31 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.63 -51.38 69.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.971 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 432' ' ' VAL . 70.4 mt -58.74 -47.5 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.222 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -69.76 -45.79 67.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.466 . . . . 0.0 110.696 -176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -56.35 -47.2 79.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.573 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 12.2 t -60.57 -53.86 52.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.744 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 62.3 mt -53.93 -42.11 68.46 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.0 m170 -65.61 -41.08 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.65 -43.24 26.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.6 -54.27 25.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.605 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.65 ' HG ' ' HD3' ' B' ' 425' ' ' LYS . 1.5 mp -62.35 -26.77 68.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.723 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.9 tt0 -66.14 -13.86 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.81 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.29 11.41 50.26 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.476 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.53 33.95 17.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.04 116.5 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 29.0 mtmm -123.4 144.2 49.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.731 0.777 . . . . 0.0 112.054 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 22.5 t70 -147.65 159.11 44.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.221 -1.354 . . . . 0.0 107.475 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.253 0.549 . . . . 0.0 110.282 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -65.44 -42.03 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.39 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.65 ' HD3' ' HG ' ' B' ' 416' ' ' LEU . 0.3 OUTLIER -71.42 -37.07 71.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.387 -170.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.3 pt-20 -73.75 -35.65 65.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.212 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.28 -39.73 68.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.998 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.632 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.9 mmt180 -65.07 -35.91 82.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 174.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 416' ' ' LEU . 6.1 mt -55.72 -57.41 12.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.389 0.43 . . . . 0.0 111.388 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 51.6 m95 -63.92 -31.85 73.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.025 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.442 ' O ' HG13 ' B' ' 435' ' ' ILE . 39.0 tt0 -68.15 -56.55 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.722 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.1 p -62.77 -34.59 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.192 0.52 . . . . 0.0 109.837 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.43 -51.21 69.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.142 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.58 -26.28 63.45 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.577 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 40.3 mt -72.87 -45.66 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.07 -46.2 82.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -70.5 -35.45 73.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.637 0.256 . . . . 0.0 111.042 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.34 79.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.601 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.3 mp -64.86 -37.86 89.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.136 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -61.8 -39.13 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.345 0.593 . . . . 0.0 109.637 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.15 -44.96 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.372 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.61 -31.21 71.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.57 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' B' ' 398' ' ' ILE . 52.9 tp -62.59 -43.1 99.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.035 0.445 . . . . 0.0 110.077 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -82.09 -7.27 59.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.42 -35.18 25.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.918 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.875 179.615 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -97.85 11.08 38.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -133.15 126.56 31.95 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 57.1 m-70 -136.92 152.7 50.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 111.376 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 6.5 mmpt? -122.07 106.37 11.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.817 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.13 115.55 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.503 . . . . 0.0 110.767 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.23 131.02 64.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.331 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.2 ttm -93.51 114.79 27.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.32 155.66 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.61 -174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.11 -168.7 41.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 12.2 t -115.64 146.6 41.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.55 -113.19 1.65 Allowed Glycine 0 C--N 1.333 0.394 0 O-C-N 123.683 0.614 . . . . 0.0 112.731 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.73 52.54 0.77 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.078 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' SER . 38.4 t -82.04 65.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.969 0.89 . . . . 0.0 110.293 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.23 45.25 62.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.296 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 19.8 pttp -131.36 70.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.862 0.839 . . . . 0.0 110.69 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.54 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.615 172.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.55 -41.05 69.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.901 -177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 HD21 ' A' ' 128' ' ' ASN . 8.0 mp -63.27 -30.99 72.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.636 -173.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.4 p -69.71 -43.03 73.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.007 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -37.0 83.48 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.812 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 90.1 mt-30 -64.13 -33.59 76.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.342 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -71.18 -37.24 72.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.644 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.6 mtt -78.02 -54.28 6.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.375 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -143.81 -61.76 0.4 Allowed 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.873 1.321 . . . . 0.0 110.631 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 1.3 t70 -88.91 -162.37 0.85 Allowed 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 111.898 -2.41 . . . . 0.0 112.097 -149.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -131.15 -165.24 1.54 Allowed 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.806 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -74.24 106.41 5.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.206 0.527 . . . . 0.0 109.796 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -78.59 157.65 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.138 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.0 -11.82 24.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.25 125.36 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.525 174.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -175.83 121.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 1.037 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.7 mm-40 -134.6 -36.97 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 1.037 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -45.94 98.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.854 2.369 . . . . 0.0 113.081 174.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -158.37 42.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.096 177.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -85.37 -50.81 7.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.883 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.13 20.8 8.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.459 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.5 m-20 -94.15 94.33 8.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.469 -171.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t -105.71 151.54 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.595 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 0.3 OUTLIER -140.2 125.26 18.55 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.747 -178.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 41.3 ttp180 -91.77 113.79 26.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.019 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.32 138.72 35.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.162 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -97.68 118.51 34.37 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 172.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.5 142.01 44.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 2.6 p -92.49 102.7 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.845 0.831 . . . . 0.0 109.536 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.27 99.37 11.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.018 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 61.98 12.26 4.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.412 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.89 -33.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.936 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.4 pt-20 -105.94 140.82 38.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.595 0.697 . . . . 0.0 110.75 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -76.81 111.28 12.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.26 0.552 . . . . 0.0 109.628 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 13' ' ' ALA . 10.8 t -107.09 155.83 7.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.394 -170.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -112.35 117.01 31.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -123.93 112.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.391 0.615 . . . . 0.0 110.44 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 17.4 t70 -98.02 121.19 39.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.763 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.44 114.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.448 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.84 130.2 46.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.497 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -95.18 120.2 35.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 140.94 36.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.095 0.474 . . . . 0.0 111.589 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.94 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.206 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 56.65 2.4 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.92 158.38 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.659 0.266 . . . . 0.0 110.82 -178.143 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.15 -24.11 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.705 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD13 ' A' ' 72' ' ' LEU . 16.3 m-20 -57.26 -64.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 111.238 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -84.35 65.03 8.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.434 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -64.94 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.547 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.663 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -63.26 -19.97 65.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.352 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.475 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 27.8 mt -94.64 -30.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -92.14 -66.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.768 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -40.36 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 111.179 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.663 HD22 ' HA ' ' A' ' 77' ' ' ALA . 93.7 m-20 -76.55 -22.71 53.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.895 -174.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 23.8 m-85 -89.97 -35.87 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 18.7 m-30 -56.53 -27.38 57.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.462 HH12 ' CD ' ' A' ' 117' ' ' GLU . 21.1 mmm180 -47.25 -67.98 0.23 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.9 m -84.92 29.61 0.62 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.006 0.431 . . . . 0.0 111.444 -178.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.63 -172.27 47.53 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.277 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 31.7 tt0 -148.36 -76.28 0.17 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.769 0.427 . . . . 0.0 110.129 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 148.62 16.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.875 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.87 133.39 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -99.46 114.66 27.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.322 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 HG22 ' A' ' 125' ' ' VAL . 65.7 tp -97.99 107.16 19.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.037 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.1 m -104.73 136.77 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.099 0.475 . . . . 0.0 111.803 -176.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -144.98 163.74 33.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.727 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 p -111.12 146.27 37.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.255 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.737 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.48 -0.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.773 0.321 . . . . 0.0 111.57 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.512 HG23 HD13 ' A' ' 132' ' ' LEU . 2.0 p -90.27 -53.37 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 110.699 174.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.9 95.67 5.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.792 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -64.13 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.147 178.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.208 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -68.49 -27.27 65.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.721 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -68.34 -45.65 72.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -68.6 -28.78 67.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.272 0.558 . . . . 0.0 110.794 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.46 62.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.248 -177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 38.9 p -54.47 -39.5 67.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 111.871 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.05 92.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.693 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.77 -45.39 94.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.578 ' HZ ' ' HB2' ' A' ' 22' ' ' SER . 22.1 m-85 -63.28 -49.34 74.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.139 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -55.39 -54.82 38.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 42.7 mt-10 -61.53 -38.63 88.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.234 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 4.9 tp-100 -59.01 -38.76 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.086 0.47 . . . . 0.0 110.5 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.01 -44.37 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.191 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.1 -25.96 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.679 0.276 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 61.5 mtp180 -64.73 -29.31 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.338 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.6 m -102.73 -19.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.363 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.612 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 40.2 mttm -104.83 -112.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.832 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.03 -24.39 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.228 1.011 . . . . 0.0 113.662 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.462 ' CD ' HH12 ' A' ' 84' ' ' ARG . 12.3 pt-20 -88.56 12.21 15.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.612 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 8.3 pt-20 -122.9 -167.15 1.54 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.187 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -84.39 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 30.7 mmtp -141.92 129.93 21.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.864 -0.522 . . . . 0.0 111.539 -172.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.2 mt -102.35 104.9 40.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.623 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 6.4 Cg_endo -87.4 114.76 1.03 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.249 2.633 . . . . 0.0 112.522 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.37 121.98 45.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.476 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.8 tp -105.41 112.97 26.27 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.463 HG22 HD23 ' A' ' 91' ' ' LEU . 4.7 t -85.1 118.5 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 0.0 109.845 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' A' ' 92' ' ' VAL . 28.6 t -112.26 127.88 69.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.889 -174.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.31 113.78 3.81 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.417 HD21 HD11 ' A' ' 30' ' ' LEU . 9.7 t-20 -109.21 164.78 12.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.857 0.329 . . . . 0.0 110.537 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 mmmp? 63.58 63.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.052 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.0 m -87.52 11.01 15.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.398 0.618 . . . . 0.0 110.204 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.54 -2.65 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -102.0 -61.18 1.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.327 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 67.42 -65.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.736 0.814 . . . . 0.0 111.542 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.95 -26.95 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.615 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.428 ' HB2' HD13 ' A' ' 132' ' ' LEU . 59.7 mtp180 -86.76 19.32 2.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.678 -174.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -67.01 113.69 5.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.57 0.224 . . . . 0.0 110.411 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -102.53 -10.34 19.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 110.906 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 4.2 p -125.51 120.05 24.68 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.688 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.631 ' HB2' ' HG2' ' A' ' 141' ' ' GLU . 19.0 Cg_endo -59.82 119.23 6.33 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.214 1.943 . . . . 0.0 110.824 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.44 -11.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.956 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.7 pt-20 -59.69 -43.85 93.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 13.7 pt-20 -77.88 -24.74 48.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.041 0.448 . . . . 0.0 110.155 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.22 91.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -62.33 -41.76 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.121 173.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.0 t -55.93 -43.55 77.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.845 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.69 -44.33 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.2 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.204 0.526 . . . . 0.0 110.309 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.76 -35.47 80.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.405 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.5 -40.68 95.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.937 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.78 -13.1 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.527 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.44 25.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.301 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.87 -176.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 122.042 0.137 . . . . 0.0 110.917 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.438 ' CG ' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -106.4 153.38 22.33 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -121.34 126.84 50.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.879 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.5 130.88 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.874 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.66 134.95 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 164' ' ' ASN . 61.7 p -133.88 170.02 16.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.5 . . . . 0.0 111.541 -176.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.1 t -155.29 124.48 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.44 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.77 -26.0 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.528 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -76.69 -45.96 27.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.998 0.427 . . . . 0.0 110.125 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -14.87 47.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.694 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 60.16 80.96 0.19 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.274 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.05 126.91 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 94.9 m-20 65.25 7.75 4.41 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.515 0.726 . . . . 0.0 112.455 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -38.49 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.098 0.475 . . . . 0.0 110.684 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.46 -31.81 58.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.373 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.54 -47.63 84.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.79 -28.79 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -75.06 -52.16 11.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.433 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.7 m-85 -63.94 -46.99 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -42.81 93.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.826 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 176' ' ' ILE . 53.3 tp -60.56 -42.99 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 109.966 177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.544 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.8 mtm -60.26 -30.11 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.077 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 9.9 mmm180 -74.87 -41.78 59.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.411 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.4 mt-10 -59.98 -38.62 83.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.371 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.0 mt -57.77 -42.69 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.498 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 173' ' ' MET . 63.4 mtt-85 -63.33 -43.77 96.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.37 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.2 m -61.47 -38.84 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.1 mptt -65.06 -46.6 80.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.629 176.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -67.78 -40.09 84.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.301 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 C--N 1.324 -0.513 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.184 177.027 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.52 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.0 t . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 120.684 0.278 . . . . 0.0 110.481 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -53.64 -35.6 61.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.136 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.95 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.904 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.416 ' HA2' ' OE1' ' B' ' 400' ' ' GLU . . . -69.67 -33.93 72.1 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.589 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.52 HG12 ' O ' ' B' ' 394' ' ' THR . 30.7 mm -56.64 -47.92 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.027 0.441 . . . . 0.0 110.023 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.11 -38.66 87.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.13 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.416 ' OE1' ' HA2' ' B' ' 397' ' ' GLY . 47.4 mt-10 -60.03 -48.81 80.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.678 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 20.5 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.505 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' B' ' 443' ' ' LEU . 93.2 mt -59.23 -50.53 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.531 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 25.5 mmm180 -62.12 -31.26 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.248 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.87 -44.62 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.359 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.51 ' HB2' HD13 ' B' ' 436' ' ' LEU . 32.9 mm-40 -68.7 -35.55 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.531 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 44.3 mt-10 -60.53 -41.8 95.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.098 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.41 -47.38 86.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.94 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.9 mt -60.64 -51.2 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.713 HD22 HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -59.32 -39.44 83.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.976 178.65 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -64.56 -44.71 89.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.068 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.6 t -59.69 -54.02 51.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.516 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -55.72 -42.75 75.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.805 0.336 . . . . 0.0 111.096 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.4 m170 -64.77 -39.21 93.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -77.48 -45.76 24.6 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.29 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.54 -55.11 22.65 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.29 0.567 . . . . 0.0 111.643 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.464 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 67.1 mt -65.97 -24.58 66.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.778 -175.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.5 tt0 -59.22 -21.57 59.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.67 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.33 -7.16 86.92 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.925 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.46 17.66 13.22 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.247 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 51.7 mt -87.47 132.85 31.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -139.52 143.37 37.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.994 0.902 . . . . 0.0 112.762 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.702 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.5 t70 -149.54 171.36 16.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 7.8 mp -72.19 -31.16 65.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.725 0.774 . . . . 0.0 109.779 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -34.64 78.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.251 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.8 pptp? -69.92 -37.38 75.93 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.588 -172.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.588 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.2 pt-20 -72.87 -41.76 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.18 -42.28 76.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.71 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.0 mmt180 -61.5 -44.47 97.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.845 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 433' ' ' GLN . 8.1 mt -55.38 -52.51 63.3 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.468 0.48 . . . . 0.0 111.543 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.734 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 87.3 m95 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.604 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.696 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 9.5 tp10 -65.03 -56.02 15.53 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.014 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.713 HG13 HD22 ' B' ' 409' ' ' LEU . 3.5 p -62.67 -32.95 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.461 0.648 . . . . 0.0 109.852 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.2 tp60 -55.77 -53.48 56.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.43 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.734 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.7 OUTLIER -71.45 -26.13 62.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.092 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 58.9 mt -68.32 -52.62 35.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' B' ' 405' ' ' GLN . 31.0 tp -58.42 -38.62 77.81 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 13.3 t -71.98 -40.28 68.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.209 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.7 73.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.412 ' HG ' HG12 ' B' ' 402' ' ' ILE . 26.9 tp -66.11 -33.69 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.753 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.54 -41.95 95.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 110.171 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.95 -45.26 93.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.218 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.37 -31.8 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.479 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' B' ' 402' ' ' ILE . 47.8 tp -66.45 -44.06 83.85 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.437 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -80.4 -1.74 42.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.86 -43.01 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.83 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.635 -175.635 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--O 1.239 0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -114.4 17.83 17.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.14 -170.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD21 HH22 ' B' ' 434' ' ' ARG . 39.2 tp -128.69 120.42 26.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -136.47 151.4 49.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -174.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.728 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -119.41 120.91 38.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.284 173.51 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.78 123.71 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' HE1' ' A' ' 83' ' ' PHE . 68.9 mt -104.84 127.47 59.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.678 -178.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.9 tpp -87.39 107.97 18.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.712 -178.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.2 126.81 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.432 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -173.03 24.11 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.078 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.805 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 23.2 t -94.6 -12.05 28.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.606 0.717 . . . . 0.0 110.041 -175.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.77 -73.35 0.39 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.49 -178.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 8.62 9.66 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.955 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.75 -8.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 122.665 -0.314 . . . . 0.0 110.922 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.64 90.81 0.18 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.761 -177.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -138.58 -77.71 0.36 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.794 0.331 . . . . 0.0 110.769 175.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 18.1 m -68.99 -40.74 78.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -175.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.54 88.12 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.6 mt -62.28 -49.85 74.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 111.175 -178.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.588 HG21 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -72.16 -33.74 67.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.959 -175.124 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 28' ' ' SER . 97.0 mt -61.47 -40.06 93.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.352 -0.139 . . . . 0.0 111.017 177.28 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -60.2 -44.66 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.343 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.8 -34.08 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.924 -175.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.482 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 45.8 mtm -96.59 -49.67 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -173.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -90.07 -8.08 52.3 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 67.61 13.71 9.34 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.911 0.757 . . . . 0.0 111.809 176.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -132.77 161.85 33.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.787 -177.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -85.02 133.45 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 32' ' ' LEU . 3.2 p -55.71 112.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.573 0.701 . . . . 0.0 112.395 -173.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.88 -60.85 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.015 173.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -135.52 100.62 4.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -164.04 109.07 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.595 174.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.708 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 36.3 mt-10 -101.9 -63.76 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 86.2 Cg_exo -45.31 -79.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 123.439 2.759 . . . . 0.0 115.023 -164.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.9 41.04 26.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.803 0.335 . . . . 0.0 111.077 -173.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -86.55 -58.18 2.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -178.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.52 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.09 135.66 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.211 0.529 . . . . 0.0 111.455 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 p -131.94 -173.07 3.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.206 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 35' ' ' MET . 85.4 t80 -131.92 128.49 38.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.13 0.49 . . . . 0.0 111.156 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 25.7 ttt180 -77.09 105.37 8.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.331 175.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -109.0 140.53 42.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.232 -175.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 24.7 ttmt -114.61 130.73 56.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 173.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.53 154.79 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.42 137.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.857 176.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -133.63 99.11 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.77 78.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.998 0.811 . . . . 0.0 111.548 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.12 -127.61 2.53 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.58 174.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.59 157.08 18.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 63.5 mt-10 -56.79 125.59 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 111.054 -175.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' HA ' ' A' ' 13' ' ' ALA . 21.9 t -107.37 145.13 15.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.044 -175.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.97 122.02 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.029 0.442 . . . . 0.0 110.167 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.7 tt -109.27 114.87 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.654 0.74 . . . . 0.0 110.177 178.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.728 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 25.7 t0 -87.87 113.1 23.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.007 -177.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 HG21 ' A' ' 31' ' ' THR . 24.4 mm -108.51 135.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 0.0 112.339 -169.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.6 tp -131.5 123.7 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.122 171.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -98.74 82.09 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 79' ' ' ARG . 24.6 m -60.94 142.32 56.53 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.249 -170.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.0 120.38 22.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.947 173.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 65.84 3.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.533 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -147.66 160.58 42.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.596 0.236 . . . . 0.0 110.773 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -92.21 -7.54 47.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.7 m-20 -57.97 -75.57 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.75 0.786 . . . . 0.0 110.414 175.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.528 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.8 m-85 -84.07 68.04 9.91 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.618 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.18 -23.68 62.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.532 177.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -66.77 -6.99 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.291 177.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.0 mt -107.96 -35.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HA ' HG21 ' A' ' 69' ' ' THR . 53.2 ttt180 -85.56 -64.94 1.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.0 -55.0 7.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.691 -173.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.602 ' CG ' ' HA ' ' A' ' 77' ' ' ALA . 1.5 m-20 -59.91 -24.47 64.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.253 -173.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.505 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.5 m-85 -90.41 -18.47 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 11.3 m-30 -72.94 1.23 9.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.569 HH11 ' HB ' ' A' ' 114' ' ' VAL . 29.9 mmt-85 -70.77 -62.41 1.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.227 0.537 . . . . 0.0 110.64 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -92.52 11.01 27.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.407 -174.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.05 122.56 5.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.496 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 38.7 mt-10 -86.36 -74.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.0 110.56 -178.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 128.74 9.3 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.385 -174.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 87.1 m-85 -115.36 117.33 30.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.989 0.423 . . . . 0.0 111.02 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.67 114.19 25.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.674 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.81 105.12 17.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG22 ' HB ' ' A' ' 126' ' ' VAL . 37.2 t -108.83 127.76 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.371 0.605 . . . . 0.0 111.782 -176.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -133.51 175.43 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.212 175.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t -129.72 143.08 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.688 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.9 -3.65 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.049 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.409 ' CG2' HD22 ' A' ' 132' ' ' LEU . 4.0 p -88.75 -15.11 35.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 110.904 175.016 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.99 102.56 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.252 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -63.49 -18.37 63.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.125 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.76 -52.99 24.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.487 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 2.0 p -61.47 -36.75 81.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HE1' ' HA ' ' A' ' 143' ' ' ALA . 62.8 t80 -58.5 -40.56 83.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.345 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 m -75.07 -36.08 61.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.863 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.52 -15.81 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.287 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.3 p -54.05 -39.14 65.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 110.952 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.79 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.361 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.45 -46.06 84.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.1 m-85 -58.67 -47.55 84.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.238 176.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 111' ' ' ILE . 54.5 ttt180 -56.29 -50.3 71.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -59.28 -40.09 85.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.561 -178.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -62.48 -36.27 81.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.262 -179.537 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.0 mt -62.1 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.77 -35.68 70.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.254 178.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -58.47 -39.72 80.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.634 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.1 m -90.6 -5.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.947 -175.29 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.1 mtmt -134.48 -108.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -178.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.66 4.69 1.92 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.461 0.704 . . . . 0.0 112.328 -174.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -113.42 -0.64 14.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.69 -179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.68 -159.14 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.514 -174.128 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -78.12 -67.23 0.75 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 -176.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.554 ' HG2' ' HE3' ' A' ' 179' ' ' LYS . 49.4 tptt -163.62 111.82 1.21 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.423 HD13 HG22 ' A' ' 111' ' ' ILE . 67.5 mt -72.33 113.39 20.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.8 Cg_endo -91.54 127.5 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.476 2.784 . . . . 0.0 111.986 176.048 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 81.7 mt -119.92 139.46 52.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 -178.229 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.855 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.9 tp -141.84 122.42 14.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.273 177.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.695 HG13 ' HD1' ' A' ' 154' ' ' TYR . 14.8 p -102.32 129.23 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.711 0.767 . . . . 0.0 110.486 -178.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.2 t -118.38 131.28 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 -173.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 92.16 1.13 Allowed Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 175.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.402 ' OD1' HD21 ' A' ' 30' ' ' LEU . 8.4 t30 -86.36 150.77 24.09 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.655 -0.32 . . . . 0.0 110.965 -173.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 71.11 72.91 0.19 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.385 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -89.86 3.68 52.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 172.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.16 62.43 0.92 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.81 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 134' ' ' GLU . 0.7 OUTLIER -161.94 -54.09 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.411 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 12.9 pt-20 50.88 -59.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.871 1.668 . . . . 0.0 114.556 -176.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 9.5 pt-20 -58.99 -24.36 62.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.112 0.565 . . . . 0.0 111.995 -178.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.0 mtt180 -110.95 27.14 9.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.476 -171.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.0 ttp180 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -82.35 -35.71 27.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 -175.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.98 126.46 27.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.478 -178.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.719 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 57.5 Cg_exo -53.18 122.6 11.46 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 111.927 177.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -75.51 -17.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -174.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.21 -40.35 86.43 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.986 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.719 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.5 pt-20 -80.92 -19.63 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.971 177.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -66.57 -39.34 88.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 71.6 mtp180 -62.11 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.061 173.361 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 9.3 t -64.66 -25.11 67.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.943 -178.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 -54.4 38.95 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.056 0.455 . . . . 0.0 110.223 174.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.92 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.294 176.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 37.0 tt0 -58.62 -36.85 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.429 177.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -80.98 -39.13 26.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 110.721 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.484 ' HB2' HG22 ' A' ' 152' ' ' VAL . 51.5 m0 -73.03 -17.12 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.093 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.24 72.23 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.891 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 150' ' ' TRP . 30.0 m -110.53 -174.75 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 -177.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.855 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -106.49 150.73 25.81 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.538 179.002 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.695 ' HD1' HG13 ' A' ' 125' ' ' VAL . 43.0 t80 -121.43 120.12 34.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.411 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.16 121.56 57.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.62 143.69 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 174.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -140.12 167.98 20.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.274 0.559 . . . . 0.0 111.45 -172.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -135.92 116.37 13.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.692 174.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -77.09 -4.64 45.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 110.768 -179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -77.27 -44.99 27.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.188 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 163' ' ' ALA . 9.0 t -111.37 11.15 21.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.653 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.79 31.19 20.06 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.876 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 161' ' ' THR . . . -69.16 101.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.399 -175.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 61.93 21.23 12.15 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.841 0.713 . . . . 0.0 112.117 177.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 168' ' ' VAL . 75.5 t -68.29 -45.94 81.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.73 -33.73 76.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.21 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.79 -49.35 75.59 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.469 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.6 m -57.31 -30.15 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.93 -46.53 35.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 177.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 32.1 m-85 -65.16 -51.51 60.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.61 -47.56 79.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 50.0 tp -60.74 -45.54 93.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.518 -179.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.98 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.464 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.4 OUTLIER -66.04 -41.29 91.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.272 -0.171 . . . . 0.0 111.247 179.271 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.577 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 20.7 mt-10 -66.87 -35.91 81.1 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.632 176.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.6 mt -64.31 -28.77 45.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.562 177.388 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 181' ' ' MET . 40.4 mtt180 -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.69 176.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 20.5 m -61.42 -32.11 72.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 179.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 11.3 mptt -59.8 -46.79 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 175.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.79 -39.19 76.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.492 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.7 mtt . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.664 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.802 0.334 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 36.7 mt-30 -65.31 -31.31 72.38 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.744 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.2 69.9 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.48 -37.45 93.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.704 177.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.545 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -61.03 -51.87 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 177.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 7.5 mtpm? -58.51 -43.71 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.519 -176.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.33 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.87 -37.59 79.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' B' ' 439' ' ' LEU . 81.5 mt -53.77 -52.81 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.582 173.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -58.94 -34.95 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 42.7 ttt180 -61.96 -47.3 85.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' B' ' 436' ' ' LEU . 14.6 mm100 -72.58 -30.81 64.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -178.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.431 ' CG ' HD21 ' B' ' 436' ' ' LEU . 45.5 mt-10 -63.47 -43.99 95.73 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.082 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -61.62 -49.64 75.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 176.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -59.69 -51.73 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.63 HD13 HG13 ' B' ' 432' ' ' VAL . 64.4 tp -65.52 -33.23 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.732 -179.351 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -61.6 -43.77 98.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.615 177.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -53.67 55.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.471 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -55.54 -35.07 65.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 177.361 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.616 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.5 m-70 -69.22 -39.41 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.649 177.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -77.53 -53.08 8.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.72 -56.43 21.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 111.661 -174.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.5 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 80.2 mt -64.33 -26.76 68.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.355 -176.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.0 tt0 -61.12 -29.2 69.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.139 -178.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -128.06 21.52 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 157.15 111.73 0.34 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.045 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 416' ' ' LEU . 29.1 mm -79.79 124.8 38.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 O-C-N 122.498 -0.413 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -75.21 -52.06 11.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.113 0.958 . . . . 0.0 109.327 173.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 13.8 m-20 -148.2 151.25 35.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.443 -176.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.64 -25.29 67.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.171 0.51 . . . . 0.0 110.086 170.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.576 ' HA ' ' OE2' ' B' ' 427' ' ' GLU . 50.1 m -61.37 -29.94 70.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 176.27 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 69.9 mmtt -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.725 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 43.8 mt-10 -67.51 -39.13 85.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.55 0.69 . . . . 0.0 109.383 176.11 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' B' ' 424' ' ' SER . 34.5 mt-10 -59.74 -47.15 86.81 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.637 ' O ' HG12 ' B' ' 432' ' ' VAL . 47.6 mmt-85 -61.76 -31.86 72.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.448 178.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 7.0 mt -55.26 -56.34 21.08 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 123.35 0.406 . . . . 0.0 110.413 177.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -60.23 -37.45 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.571 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 60.7 mm-40 -68.7 -54.93 13.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.637 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.3 p -65.18 -33.15 61.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.475 . . . . 0.0 110.496 -179.124 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' B' ' 409' ' ' LEU . 28.2 tp60 -55.58 -53.78 52.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.17 177.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 2.8 ptm180 -66.98 -27.4 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.526 -177.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.5 mt -74.32 -43.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -57.41 -45.59 84.41 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.842 178.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -72.79 -32.24 65.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.699 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.94 -38.78 92.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 175.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.904 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -64.98 -48.18 74.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.274 -178.716 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.23 -28.53 69.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.428 0.633 . . . . 0.0 109.973 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -67.29 -42.31 83.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.904 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.5 mtpt -58.52 -36.19 73.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.665 175.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.26 -38.38 83.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.506 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.53 -18.61 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.454 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.13 -38.77 24.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.726 0.298 . . . . 0.0 111.22 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.915 -177.76 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.196 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.05 0.94 54.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.658 0.742 . . . . 0.0 110.11 176.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 tp -127.56 106.03 8.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.733 -1.122 . . . . 0.0 109.205 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -101.77 153.65 19.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.196 0.522 . . . . 0.0 111.422 -176.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.3 tpmt? -124.6 103.85 8.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.768 179.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' HB ' HD13 ' A' ' 66' ' ' ILE . 64.9 t -115.45 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.518 0.675 . . . . 0.0 110.767 -173.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.92 119.93 53.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.54 -177.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 49.2 mtt -87.44 120.3 28.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.006 177.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.542 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 27.1 m -99.79 149.21 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.75 149.93 7.27 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -56.15 -62.74 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.269 0.557 . . . . 0.0 110.721 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.62 -75.29 0.68 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.718 178.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.869 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . -174.64 61.61 0.12 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG11 ' C ' ' A' ' 93' ' ' PHE . 24.3 t -58.91 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.67 5.77 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.193 178.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 10.3 pttt -84.72 45.16 1.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.657 0.741 . . . . 0.0 110.636 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 73.3 m -152.68 -54.26 0.12 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.798 173.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.76 71.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 111.313 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.3 mt -65.8 -44.22 86.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.821 -178.311 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.561 HG21 ' HE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.75 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.3 -44.08 97.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.427 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -59.23 -46.33 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.916 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.23 -7.65 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.104 0.478 . . . . 0.0 111.91 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -109.26 -53.45 2.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.721 -0.612 . . . . 0.0 111.654 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.04 -12.52 19.64 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.341 0.401 . . . . 0.0 111.949 -172.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.7 18.31 11.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.456 0.646 . . . . 0.0 110.368 -173.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -128.71 154.75 46.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.587 -178.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -79.2 145.63 33.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 130.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.235 0.54 . . . . 0.0 111.211 -177.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.16 -69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.436 178.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.13 104.98 5.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.784 178.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -168.14 116.17 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.409 -175.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.921 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -117.96 -46.79 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.1 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.921 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 2.8 Cg_endo -46.06 127.48 10.65 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.492 2.128 . . . . 0.0 112.62 179.065 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -154.2 -27.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.462 177.799 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.704 ' HE2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -53.42 -55.87 21.56 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -171.828 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.32 -24.43 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.076 0.465 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.6 76.89 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 48.3 m -91.13 171.34 9.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.844 -179.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HE1' HG21 ' A' ' 31' ' ' THR . 1.0 OUTLIER -135.92 131.87 35.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.372 0.606 . . . . 0.0 112.122 -171.468 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -102.76 121.56 42.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.034 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -98.56 137.36 37.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.224 -179.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -107.82 125.56 51.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.145 173.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.06 146.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.61 118.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.18 0.514 . . . . 0.0 110.107 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -105.88 99.23 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.567 -176.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.17 16.52 8.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.996 173.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.42 -57.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.234 -1.46 . . . . 0.0 114.686 175.164 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.85 141.37 28.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.391 0.596 . . . . 0.0 111.788 -173.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.94 115.55 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.735 177.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.35 144.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.08 -177.29 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -113.31 134.87 54.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.305 0.574 . . . . 0.0 111.052 -174.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' SD ' ' A' ' 173' ' ' MET . 11.8 tt -135.11 120.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.911 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.5 131.87 53.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.359 -176.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 ' HB ' ' A' ' 17' ' ' VAL . 40.3 mm -114.41 126.91 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -173.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 82' ' ' TYR . 15.8 tp -112.93 147.27 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.423 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 7.3 t70 -105.69 116.93 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.867 176.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 20' ' ' VAL . 21.0 p -87.28 179.46 6.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 111.906 -178.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 47' ' ' LYS . . . -130.15 130.04 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.397 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.54 61.56 4.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.424 -178.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -160.08 170.81 20.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.353 0.261 . . . . 0.0 110.323 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -89.3 -13.2 38.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -65.66 -62.68 1.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.486 . . . . 0.0 111.302 -177.049 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.401 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 48.2 m-85 -82.53 62.0 5.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.178 -177.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.28 -26.38 68.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.504 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.9 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -77.66 -7.47 56.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.731 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.622 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 5.4 mt -106.76 -32.9 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.333 179.152 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -92.1 -66.41 0.93 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.62 -54.5 7.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.692 . . . . 0.0 111.248 -172.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.9 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 83.2 m-20 -65.64 -17.73 64.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.69 -172.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.622 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -91.78 -30.79 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.681 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -56.99 -27.84 61.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.986 0.422 . . . . 0.0 111.974 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.631 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 24.0 m -86.34 21.68 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.134 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.525 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.8 151.7 20.06 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.683 178.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -122.53 -39.0 2.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.572 0.186 . . . . 0.0 111.071 178.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 135.0 12.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.12 176.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.27 129.56 45.08 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 122.504 -0.409 . . . . 0.0 111.289 -178.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -115.86 123.34 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 104' ' ' THR . 10.1 mp -97.4 108.66 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.631 176.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.36 114.77 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 0.0 110.897 -178.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.402 ' C ' HG11 ' A' ' 25' ' ' VAL . 5.0 p90 -132.53 175.32 9.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.99 179.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -119.98 145.74 46.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.675 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.6 14.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.318 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.489 HG21 HD13 ' A' ' 132' ' ' LEU . 6.0 p -108.66 -28.01 9.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 0.0 111.438 175.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -102.42 113.28 26.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.143 0.496 . . . . 0.0 110.178 178.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -74.9 -21.45 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.267 -178.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.64 -48.3 72.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.5 m -64.64 -25.4 67.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.068 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.19 -47.25 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 0.0 110.574 176.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 m -65.58 -29.96 70.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.469 177.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.47 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.191 -178.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 91' ' ' LEU . 68.5 p -60.01 -41.54 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.017 0.437 . . . . 0.0 110.71 178.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.66 82.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 177.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.4 tp10 -61.62 -50.88 70.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.928 177.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.5 m-85 -58.76 -44.62 90.65 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 178.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -53.58 -55.47 25.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.74 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.27 -27.08 62.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.289 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -61.39 -46.82 88.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 110.041 177.188 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.4 mt -57.77 -51.33 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.044 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.14 -34.11 76.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.177 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -64.12 -36.25 83.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.931 -175.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 115' ' ' LYS . 16.2 m -97.98 -13.12 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.574 -177.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -114.53 -106.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.119 -177.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.12 15.95 6.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.17 0.588 . . . . 0.0 112.285 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -118.49 13.87 13.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 109.901 179.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -94.23 -172.43 2.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.702 -176.421 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.587 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 13.9 t70 -81.17 -61.62 1.9 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.104 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.587 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 46.0 mmtm -142.66 156.09 45.01 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 111' ' ' ILE . 67.3 mt -121.59 98.21 46.15 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 109.954 174.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 2.9 Cg_endo -81.5 115.29 2.83 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.57 2.847 . . . . 0.0 112.063 178.216 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.48 152.37 21.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.143 0.497 . . . . 0.0 110.473 178.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.813 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.4 tp -144.21 119.08 9.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.07 119.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.66 114.52 47.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.138 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.14 112.24 3.57 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.523 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -94.65 165.97 12.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm 67.62 31.56 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.655 0.597 . . . . 0.0 109.8 179.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -62.41 -12.54 22.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.418 0.628 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.941 176.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HB2' HD11 ' A' ' 95' ' ' ILE . 86.1 mt -89.91 30.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.742 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.35 -24.35 64.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.102 0.41 . . . . 0.0 111.372 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.94 -14.51 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 96' ' ' THR . 97.1 mtt180 -127.14 9.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -175.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 112.03 1.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.173 0.511 . . . . 0.0 110.64 -174.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -100.88 -29.58 12.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.792 -178.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.39 116.71 67.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.528 174.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.2 Cg_exo -61.49 100.06 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.843 1.695 . . . . 0.0 109.757 172.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.4 p -69.52 -14.84 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.125 0.488 . . . . 0.0 110.674 -168.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -56.97 -41.88 79.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.621 176.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.9 pt-20 -78.38 -22.8 47.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.539 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.14 77.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 26.1 mtp180 -70.74 -35.56 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.761 174.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 t -63.28 -37.34 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.409 177.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 74.9 mmtt -55.81 -47.15 77.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.099 0.476 . . . . 0.0 110.199 175.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.53 76.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.652 -177.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.64 -44.5 90.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.62 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.219 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.25 -16.36 56.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.874 0.369 . . . . 0.0 111.071 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.16 29.12 59.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.792 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.42 -175.41 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 -178.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.813 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.7 pm0 -112.11 146.06 38.67 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.352 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -122.36 122.39 38.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.879 0.371 . . . . 0.0 110.437 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.88 139.2 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.37 132.77 45.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.0 p -134.33 174.73 10.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.118 0.485 . . . . 0.0 110.738 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.7 t -163.53 136.95 5.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.551 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.478 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -88.47 -3.74 58.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.208 0.528 . . . . 0.0 109.582 174.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -82.54 -23.34 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.665 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -123.73 -14.37 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.486 -177.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 63.97 74.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.25 -177.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.01 -161.09 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.665 -178.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -67.91 54.29 0.07 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.789 0.328 . . . . 0.0 111.398 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.547 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.1 t -69.08 -47.05 77.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 -179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.11 -35.03 79.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 -178.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.92 -47.84 84.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.611 -174.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.671 ' HB ' HD21 ' A' ' 124' ' ' LEU . 22.0 m -58.42 -30.11 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.488 0.185 . . . . 0.0 111.383 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -64.17 -56.14 16.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 68.1 m-85 -62.55 -38.56 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.203 -176.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -56.46 -50.89 70.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.71 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 40.0 tp -64.99 -42.97 94.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.148 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.647 ' SD ' HD12 ' A' ' 64' ' ' ILE . 45.7 mtp -59.31 -33.71 71.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.04 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.556 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 12.2 mmt180 -75.45 -38.24 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.216 179.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 11.6 mm-40 -53.39 -36.54 61.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.265 0.555 . . . . 0.0 111.847 174.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 173' ' ' MET . 58.1 mt -66.66 -24.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.657 -177.472 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.556 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 83.6 mtm180 -53.62 -51.34 63.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.846 0.355 . . . . 0.0 111.363 -179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.5 m -63.99 -31.67 72.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.883 -177.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 120' ' ' LYS . 13.2 mptt -68.87 -42.58 76.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.612 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -73.74 -45.61 50.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.701 -177.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -177.733 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.9 m . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.494 0.188 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 90.5 mt-30 -57.99 -39.37 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.394 178.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.09 -51.62 65.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 177.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.07 -44.37 95.92 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.121 178.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.613 ' O ' HG13 ' B' ' 402' ' ' ILE . 38.4 mm -55.27 -50.67 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.563 0.221 . . . . 0.0 110.806 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 61.5 mtpt -61.53 -39.34 90.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.361 -177.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 403' ' ' ARG . 9.1 mm-40 -65.59 -39.27 91.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.777 177.621 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 175.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.638 HG12 ' HG ' ' B' ' 439' ' ' LEU . 67.8 mt -60.77 -51.18 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 177.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' B' ' 400' ' ' GLU . 36.9 mtm180 -57.31 -35.17 69.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.497 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -67.64 -44.96 76.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 82.9 mm-40 -72.93 -35.43 67.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 0.0 110.456 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 55.0 mt-10 -65.46 -35.6 81.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.5 -49.82 76.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.381 173.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -44.86 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.447 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.3 tm? -61.92 -48.05 82.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.71 -44.82 90.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.886 177.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -53.85 49.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.243 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -52.57 -53.81 41.43 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.591 0.356 . . . . 0.0 111.875 176.857 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.29 -50.22 74.38 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -77.19 -30.07 54.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.759 -172.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.04 -49.62 64.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.304 0.573 . . . . 0.0 110.022 178.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 44.8 mt -70.22 -32.61 70.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.217 -177.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.495 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 10.0 mt-30 -67.32 -9.84 45.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.836 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.14 -9.72 86.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.146 175.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.16 17.01 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.854 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.1 mt -102.97 129.51 54.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.86 137.32 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.959 0.885 . . . . 0.0 112.379 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.9 t70 -148.76 171.66 15.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.271 177.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.438 HD23 ' H ' ' B' ' 423' ' ' LEU . 0.2 OUTLIER -72.94 -24.75 60.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 118.916 0.78 . . . . 0.0 109.786 174.306 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 m -65.24 -38.55 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.201 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.737 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -70.42 -34.91 73.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.7 -172.734 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.737 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -72.98 -37.28 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.638 0.256 . . . . 0.0 110.311 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.15 -43.57 91.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.525 175.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.602 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.41 -37.13 82.61 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.937 -179.191 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.553 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 11.0 mt -56.64 -56.35 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.803 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 67.3 m95 -61.72 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.376 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 5.3 mm-40 -63.73 -54.32 37.26 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.2 177.382 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.1 t -56.49 -35.96 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.891 0.853 . . . . 0.0 108.962 177.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 28.3 tp60 -60.73 -58.72 7.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.408 -177.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.78 -26.53 65.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.727 -177.622 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.97 -52.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 173.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.9 tp -61.76 -44.83 96.12 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.041 -177.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.571 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.6 t -65.37 -40.82 94.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.034 -175.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.57 -36.21 80.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.638 ' HG ' HG12 ' B' ' 402' ' ' ILE . 31.4 tp -67.49 -37.0 82.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.372 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -62.71 -39.68 94.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.442 0.639 . . . . 0.0 109.691 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 2.7 tmt_? -66.97 -40.88 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.208 177.07 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -57.95 -31.96 67.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.083 176.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.6 tp -63.86 -43.64 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.371 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -80.65 -3.52 50.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.422 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -99.53 -30.79 11.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 110.491 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.474 -177.632 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 180' ' ' LYS . 1.1 pt? . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.76 -10.19 59.22 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.097 0.951 . . . . 0.0 109.599 173.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 7.7 mp -119.4 135.75 54.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.621 171.276 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -120.49 118.04 29.23 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.079 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HE3' ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -96.11 107.54 19.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.915 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.18 124.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.577 0.703 . . . . 0.0 111.417 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mt -113.31 128.75 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.532 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.6 mtt -89.9 104.57 17.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.247 0.546 . . . . 0.0 109.847 174.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 6.3 m -100.02 95.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.769 0.795 . . . . 0.0 111.978 -174.4 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.555 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -108.35 174.22 18.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 169.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.707 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 11.7 p -73.81 -95.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.748 0.774 . . . . 0.0 110.269 -174.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -52.55 12.99 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 173.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.92 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 164.33 102.34 0.17 Allowed Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.009 175.66 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 93' ' ' PHE . 57.1 t -92.51 -82.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.767 0.317 . . . . 0.0 110.295 177.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -121.01 12.73 9.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.907 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.92 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 51.5 pttt -72.39 -20.09 61.5 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.391 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -96.35 -31.18 13.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.338 172.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.57 -52.48 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.251 -174.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.894 HD11 HD21 ' A' ' 128' ' ' ASN . 83.1 mt -70.82 -35.72 72.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -170.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -66.16 -41.23 90.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -175.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.05 -34.91 77.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 177.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 1.001 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.0 mm-40 -64.24 -46.16 84.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.364 179.077 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -70.69 -22.29 62.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 51' ' ' TYR . 52.2 ttm -88.33 -52.74 5.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.265 -175.022 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 68.3 m-85 -121.75 -6.66 9.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -175.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 68.38 8.15 6.44 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 10.8 pt-20 -99.05 140.94 32.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 1.001 ' HA ' HE22 ' A' ' 33' ' ' GLN . 81.6 t80 -76.77 135.15 38.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -69.77 106.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 111.428 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.71 -48.14 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -155.86 94.84 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.036 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -152.22 105.12 3.02 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.805 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.9 mm-40 -100.89 -41.81 0.22 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.3 Cg_endo -44.78 116.76 1.25 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.686 2.257 . . . . 0.0 113.037 176.434 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -163.01 29.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.298 176.484 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -86.6 -57.81 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.965 -173.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.88 -2.01 7.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.306 0.574 . . . . 0.0 110.557 175.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.29 122.21 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.712 0.768 . . . . 0.0 110.956 -176.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 t -143.41 170.46 15.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.525 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 91.6 m-85 -134.6 136.05 42.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -171.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -75.45 106.19 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 -177.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -101.34 135.54 42.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 37.3 ttmt -109.82 140.05 44.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.53 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.63 -179.53 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.2 p -152.32 114.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.764 -0.585 . . . . 0.0 111.658 172.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.35 96.05 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 18.79 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 125.096 1.497 . . . . 0.0 113.909 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.12 -106.75 0.3 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.896 -178.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.8 pt-20 -103.51 151.55 22.73 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 94.1 mt-10 -62.47 120.75 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.379 0.609 . . . . 0.0 110.79 -178.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.26 144.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.314 -174.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.6 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 59.9 mt-30 -113.49 136.33 52.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.154 -177.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 ' SD ' ' A' ' 173' ' ' MET . 19.7 tt -113.85 140.75 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 32.4 t70 -115.29 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.96 -174.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.34 135.95 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.855 -175.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.6 tp -132.05 135.08 46.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.748 172.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -100.87 166.32 10.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 p -131.96 132.86 43.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -173.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 102.32 8.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -89.58 77.9 1.64 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.418 -172.403 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 75' ' ' TYR . 1.4 pp -155.51 170.18 22.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.6 mp0 -56.62 -38.86 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.703 0.627 . . . . 0.0 112.346 -173.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.97 -68.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.121 -175.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 78' ' ' ILE . 50.9 m-85 -79.96 62.1 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.276 -171.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.97 67.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.675 . . . . 0.0 110.204 174.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 81' ' ' ASN . . . -74.89 -6.78 51.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.823 -178.223 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.801 HG12 ' HB3' ' A' ' 75' ' ' TYR . 15.2 mm -96.85 -41.61 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -92.11 -65.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.048 0.452 . . . . 0.0 111.757 -173.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.82 -33.0 62.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.56 0.695 . . . . 0.0 110.974 -170.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.865 HD21 HD23 ' B' ' 416' ' ' LEU . 53.7 t30 -76.97 -19.51 57.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.915 -173.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 409' ' ' LEU . 4.6 m-85 -94.17 -13.03 27.12 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' HB2' HG21 ' A' ' 114' ' ' VAL . 16.6 m-85 -62.02 -22.97 66.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.223 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -51.65 -61.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.3 m -93.02 25.7 3.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -175.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.68 174.17 51.14 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.906 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 45.7 tt0 -141.59 -70.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -176.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.61 13.61 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.627 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.01 127.56 48.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.128 0.49 . . . . 0.0 111.267 -176.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 124' ' ' LEU . 91.5 mt -107.55 111.2 23.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.136 176.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' VAL . 96.0 mt -79.02 106.87 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HB ' ' A' ' 126' ' ' VAL . 14.9 m -111.8 114.67 47.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 0.0 111.092 -176.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.421 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -133.16 171.88 13.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.963 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -109.7 130.28 55.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.63 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -8.89 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.306 0.574 . . . . 0.0 110.119 -179.151 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.78 -40.4 48.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.05 -179.419 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -101.66 109.44 21.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.64 -26.1 67.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.138 0.494 . . . . 0.0 110.082 177.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.66 -47.52 84.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.45 175.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 m -59.33 -35.82 74.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.83 -35.19 78.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.227 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 m -66.34 -27.38 67.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.126 0.489 . . . . 0.0 111.309 -176.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.53 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.7 p -57.11 -40.41 77.01 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.83 -177.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.36 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.55 -48.46 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.081 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.412 ' O ' HG13 ' A' ' 111' ' ' ILE . 15.4 m-85 -57.73 -45.04 86.35 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.242 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -55.51 -52.34 64.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 -177.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.9 mt-10 -62.07 -45.5 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.637 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -55.92 -39.82 72.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.558 0.218 . . . . 0.0 110.952 179.264 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.4 mt -65.22 -52.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.806 177.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.18 -37.03 81.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 98.9 mtt180 -67.78 -32.61 73.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -97.97 -13.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.28 -87.4 0.48 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.167 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.47 -68.06 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.968 0.907 . . . . 0.0 113.248 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -84.48 44.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 111.933 -172.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.0 171.15 8.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.58 -68.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.572 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.583 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 73.3 mmtt -151.76 131.6 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.83 98.32 9.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 73.2 Cg_endo -90.19 130.95 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.263 2.642 . . . . 0.0 112.442 -178.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.528 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.9 mp -127.03 137.76 53.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.501 . . . . 0.0 110.743 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.8 tp -123.66 119.8 30.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -89.64 121.47 39.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.106 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.569 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.8 t -105.35 125.81 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.79 -176.578 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.47 91.42 1.42 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.901 177.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.894 HD21 HD11 ' A' ' 30' ' ' LEU . 20.6 m120 -83.21 167.22 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.427 0.156 . . . . 0.0 110.739 -178.217 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.6 mmmt 64.98 14.92 9.66 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.929 0.768 . . . . 0.0 111.319 179.267 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -71.56 -7.67 49.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.991 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -86.27 17.47 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.595 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 135' ' ' ARG . 2.8 tp -94.48 -51.53 4.72 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 71.14 -56.62 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.986 0.914 . . . . 0.0 112.39 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.12 -55.7 5.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.561 ' HB2' HD21 ' A' ' 132' ' ' LEU . 72.7 mtt180 -115.21 47.83 1.25 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.043 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -63.9 112.27 2.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -88.36 -27.46 21.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.75 110.71 59.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.68 115.06 2.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.302 2.001 . . . . 0.0 110.409 173.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' HD2' ' A' ' 144' ' ' ARG . 21.2 t -59.62 -26.1 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.066 -175.127 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.33 -56.67 17.38 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.15 -21.94 55.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.743 0.306 . . . . 0.0 111.089 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.86 -41.55 91.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.029 0.442 . . . . 0.0 110.224 175.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.574 ' HD2' HG12 ' A' ' 140' ' ' VAL . 48.1 mtp180 -71.65 -31.84 67.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.138 177.156 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.7 t -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.6 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.3 mmtp -65.82 -29.94 70.49 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.029 178.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.85 -41.14 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 175.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -65.91 -36.2 82.74 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.733 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.1 -39.9 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.831 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -98.27 0.3 45.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.095 -175.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.07 38.49 88.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 25.8 m -126.08 -175.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -177.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.832 ' HG2' HD13 ' A' ' 124' ' ' LEU . 12.6 pm0 -112.97 153.07 28.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.157 176.055 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 94.0 t80 -122.5 125.76 46.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.608 177.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.6 133.0 62.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.101 -179.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.07 130.6 34.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 30.6 m -134.88 130.07 35.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.444 0.64 . . . . 0.0 111.339 -177.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 162' ' ' ARG . 10.2 p -106.8 132.64 52.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.853 178.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.93 -11.86 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.73 -176.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -85.04 -49.79 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.111 0.481 . . . . 0.0 109.87 178.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.41 -24.04 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.315 174.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 158' ' ' SER . 70.6 mtm180 65.48 85.49 0.14 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.509 179.075 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.45 135.04 29.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 69.02 10.9 8.15 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.79 0.681 . . . . 0.0 111.501 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.83 -43.83 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.281 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.64 -49.75 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 26.8 m -60.29 -25.71 34.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -175.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -75.66 -57.38 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.398 176.135 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 173' ' ' MET . 66.6 m-85 -66.38 -33.32 75.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.3 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.54 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.282 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.3 tp -73.11 -35.32 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.638 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.473 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.9 mtp -63.14 -30.84 71.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.561 -178.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 20.4 mmm180 -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.748 176.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.74 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 23.4 mt-10 -62.43 -35.17 78.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.836 176.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mt -55.93 -25.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.26 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -71.23 -49.37 44.01 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.3 m -62.72 -29.7 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.264 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.74 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 34.5 mmtt -66.77 -46.09 76.45 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.08 0.467 . . . . 0.0 110.021 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' A' ' 12' ' ' LEU . 44.4 mmtm -74.66 -35.7 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.267 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.2 mtt . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -175.162 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.449 -0.522 0 CA-C-O 121.032 0.444 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.424 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 42.6 mt-30 -66.05 -27.13 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.39 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.11 -54.91 33.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.619 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.95 -34.84 91.01 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.824 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.6 mm -64.54 -53.51 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.541 178.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.2 mttt -58.31 -43.66 88.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.419 -177.136 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 49.4 mm-40 -74.5 -37.27 63.16 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.272 176.089 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.6 mt -55.64 -53.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.507 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.4 mmm180 -62.93 -33.51 75.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.114 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 44.0 ttt180 -59.72 -52.25 66.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 176.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 66.9 mm-40 -73.45 -32.15 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.618 -176.711 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.546 ' CG ' HD21 ' B' ' 436' ' ' LEU . 48.7 mt-10 -60.16 -43.43 95.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.617 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.87 -43.31 75.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.831 177.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.4 mt -60.57 -52.22 66.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.094 -178.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.552 HD13 HG13 ' B' ' 432' ' ' VAL . 55.4 tp -66.63 -32.72 74.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -62.39 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.255 175.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.1 t -59.85 -51.88 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -51.94 -43.17 63.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 175.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.554 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 12.9 m170 -67.97 -38.23 82.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.67 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -77.6 -52.43 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.75 -53.57 56.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 111.611 -176.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.865 HD23 HD21 ' A' ' 81' ' ' ASN . 1.9 mp -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.337 -175.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.3 tt0 -67.38 -11.98 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.011 -176.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.18 5.96 84.19 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.341 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.77 9.25 57.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.269 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.93 126.98 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -133.24 144.09 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.93 0.872 . . . . 0.0 112.37 -177.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.7 t70 -151.53 168.61 24.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 173.062 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.63 -30.0 63.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.807 0.813 . . . . 0.0 109.254 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.3 m -68.08 -32.15 72.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.325 -178.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.741 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.09 -37.03 72.43 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.351 -172.858 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.741 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.4 pt-20 -74.36 -44.39 52.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.88 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 176.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.2 mmt180 -65.5 -39.48 91.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.019 175.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 10.1 mt -55.41 -52.68 62.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.577 0.548 . . . . 0.0 111.831 -176.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.623 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 86.9 m95 -70.77 -44.67 66.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.398 -176.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.25 -52.72 64.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.768 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.3 p -62.19 -34.04 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.43 -48.13 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.149 176.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.623 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.3 mpt_? -68.08 -39.74 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.767 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 34.8 mt -62.24 -42.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 178.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.546 HD21 ' CG ' ' B' ' 406' ' ' GLU . 2.8 tm? -57.78 -48.42 79.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.132 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.478 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.5 t -74.13 -32.49 63.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.966 -176.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.72 -36.12 82.71 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 109.949 175.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.685 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -62.18 -50.2 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.964 176.687 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -63.17 -29.2 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.319 0.58 . . . . 0.0 110.751 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -68.61 -46.0 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.6 mmmm -64.42 -27.84 69.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 177.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.66 -46.13 91.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -81.9 -5.98 58.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.997 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.9 tp10 -93.23 -10.58 35.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.282 0.563 . . . . 0.0 110.169 177.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.987 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.594 HD22 ' HE3' ' A' ' 180' ' ' LYS . 63.9 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 59.0 14.54 3.44 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 175.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 60.8 tp -150.97 148.22 28.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -137.5 143.27 41.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.673 ' CG ' ' HA2' ' A' ' 86' ' ' GLY . 13.3 tppt? -117.99 107.39 13.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.226 0.536 . . . . 0.0 111.348 174.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 26.9 m -117.65 138.19 49.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.778 173.289 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 89' ' ' PHE . 70.4 mt -127.85 126.01 65.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.218 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 59.8 mtt -93.24 135.42 34.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 m -132.5 143.61 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.309 176.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.44 83.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.744 -177.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.538 ' H ' ' HZ ' ' A' ' 107' ' ' PHE . 46.1 m 56.75 -154.38 0.34 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.037 0.492 . . . . 0.0 110.041 -177.31 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.43 -48.26 55.04 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.868 175.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.754 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 170.31 63.92 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.605 175.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.7 t -51.44 -67.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 O-C-N 123.949 0.44 . . . . 0.0 112.054 -176.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.22 3.93 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.155 -176.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 21.2 pttp -87.46 38.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.618 0.723 . . . . 0.0 111.586 -173.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -141.96 -44.07 0.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.161 173.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.35 48.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.73 -36.45 81.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.28 0.562 . . . . 0.0 110.59 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -49.73 67.91 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.219 -177.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 40' ' ' VAL . 20.8 tp -62.58 -35.76 80.54 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.061 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 57.2 mm-40 -56.47 -47.09 79.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.247 0.546 . . . . 0.0 110.868 176.151 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -72.93 -31.42 64.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 55.1 mtm -86.44 -56.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -110.77 -0.57 16.97 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t70 69.51 16.54 8.14 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 177.126 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -116.96 150.66 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.283 -177.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.08 150.81 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.422 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.5 p -71.81 102.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.895 0.855 . . . . 0.0 112.453 -173.306 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -101.0 -40.99 6.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.604 174.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.03 117.69 9.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.845 -177.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -171.58 91.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.774 173.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 53.1 mm-40 -78.77 -45.85 1.86 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.89 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 Cg_endo -59.71 104.36 0.22 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.636 1.558 . . . . 0.0 111.394 173.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 44' ' ' GLU . 9.1 t -156.11 13.64 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.253 -176.463 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -85.17 -59.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.375 -177.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.53 -5.48 5.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.384 173.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.54 145.73 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.522 -173.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.6 p -142.29 161.82 37.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.169 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 61.4 t80 -140.91 138.93 34.22 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.21 121.31 41.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.209 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -98.02 133.06 43.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.15 -177.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 35.8 ttmt -93.77 122.77 36.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.341 176.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.22 143.86 34.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.545 174.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -120.83 126.1 74.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.041 0.448 . . . . 0.0 110.351 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -108.52 95.98 6.03 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.231 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 46.67 31.31 1.36 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.217 0.948 . . . . 0.0 112.617 175.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.26 -109.47 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.816 -1.183 . . . . 0.0 114.011 -174.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -101.96 152.72 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -175.011 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 57.8 mt-10 -70.77 117.55 12.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.18 0.514 . . . . 0.0 109.875 178.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 13' ' ' ALA . 3.9 t -106.25 147.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.477 -174.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 26.3 mt-30 -113.02 129.92 56.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.319 0.581 . . . . 0.0 110.605 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 173' ' ' MET . 8.3 tt -111.64 122.13 65.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.372 175.08 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 25.6 t0 -99.72 110.85 23.23 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.22 138.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.69 0.281 . . . . 0.0 110.49 -174.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.699 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 50.6 tp -116.63 132.71 56.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.617 -177.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -101.43 111.24 23.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 p -83.73 159.9 21.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 110.74 21.53 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 173.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.54 65.34 4.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.708 -178.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -153.0 168.56 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 110.767 179.063 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.81 -21.12 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.7 -177.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.453 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.1 m-20 -58.98 -72.46 0.1 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.509 0.671 . . . . 0.0 111.395 -177.236 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.442 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.1 m-85 -80.61 68.34 6.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.061 -174.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.75 65.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -69.68 -7.21 37.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.268 178.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' A' ' 75' ' ' TYR . 49.0 mt -102.04 -22.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.0 109.826 176.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 79' ' ' ARG . 21.8 mtt180 -87.87 -65.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.25 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.49 -51.51 62.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.37 -170.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 56.1 m-20 -69.41 -48.08 62.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.02 -173.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -66.5 -29.81 70.0 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.846 -175.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.2 m-30 -69.04 -31.59 70.49 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -174.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -59.37 -44.54 92.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.843 0.354 . . . . 0.0 111.397 -176.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.519 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 29.8 t -82.91 19.21 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -178.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.673 ' HA2' ' CG ' ' A' ' 16' ' ' LYS . . . -95.43 151.67 20.1 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.442 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 34.5 mt-10 -112.21 -68.95 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' VAL . . . -106.31 149.34 16.63 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' HB ' ' A' ' 18' ' ' ILE . 83.1 m-85 -129.52 148.09 51.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.107 0.479 . . . . 0.0 111.014 -176.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.7 mt -118.23 113.71 21.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.682 -178.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 125' ' ' VAL . 45.5 mt -86.95 106.85 18.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB ' ' A' ' 126' ' ' VAL . 20.3 m -111.67 115.65 50.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.429 0.633 . . . . 0.0 111.631 -175.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -139.37 159.44 42.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.468 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 p -111.96 141.86 45.08 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.751 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.34 14.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.814 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.485 ' CG2' HD22 ' A' ' 132' ' ' LEU . 32.0 p -102.1 -21.07 14.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 0.0 109.649 174.15 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -105.56 113.32 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.14 -176.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -71.81 -26.82 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.24 -57.88 10.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 11.9 p -67.54 -26.44 66.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -175.376 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.55 -49.46 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.573 176.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 m -72.11 -29.1 63.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.386 0.613 . . . . 0.0 110.373 177.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -70.1 -15.37 62.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.056 -178.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' SER . 41.3 p -57.62 -39.01 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 179.21 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.68 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.55 177.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -70.7 -45.71 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.919 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.538 ' HZ ' ' H ' ' A' ' 22' ' ' SER . 19.3 m-85 -57.5 -49.81 75.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.11 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -54.44 -57.42 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.84 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 35.1 mt-10 -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.381 -177.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 7.2 tp-100 -71.25 -32.78 69.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.181 0.515 . . . . 0.0 110.401 178.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 121' ' ' ILE . 67.7 mt -73.83 -42.45 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.468 178.128 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 121' ' ' ILE . 6.7 mp -77.49 -5.2 49.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.212 0.529 . . . . 0.0 110.516 176.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 109' ' ' GLU . 19.3 tpp180 -78.5 -27.46 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.4 m -109.25 -25.2 3.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.959 -177.15 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 28.4 mtmt -125.5 154.65 41.77 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.847 0.356 . . . . 0.0 110.115 -178.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.112 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.23 4.62 24.9 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.582 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -59.56 -63.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 176.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.42 ' OD1' ' HD2' ' A' ' 179' ' ' LYS . 11.2 t70 -161.22 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 171.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.21 179.04 7.78 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 172.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 111' ' ' ILE . 76.6 mt -127.44 100.44 25.9 Favored Pre-proline 0 C--N 1.308 -1.226 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.387 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HB2' HD11 ' A' ' 172' ' ' LEU . 5.2 Cg_exo -77.61 108.17 2.52 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.3 2.667 . . . . 0.0 111.84 178.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 121' ' ' ILE . 4.2 mp -106.09 121.53 44.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.05 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.926 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -104.69 117.46 34.15 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.841 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -84.99 114.67 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.96 -178.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.621 ' HB ' HG12 ' A' ' 92' ' ' VAL . 43.7 t -108.78 109.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.524 -177.192 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.87 93.57 1.76 Allowed Glycine 0 CA--C 1.507 -0.447 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 176.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -88.97 166.1 14.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -175.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.537 ' HA ' ' OD2' ' A' ' 131' ' ' ASP . 9.9 mptt 63.9 58.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 -171.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.8 m -84.89 8.14 18.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.71 0.766 . . . . 0.0 109.153 170.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.537 ' OD2' ' HA ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -77.85 -21.61 51.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.668 -176.087 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -80.81 -54.66 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.683 -178.049 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 65.24 -74.26 0.05 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.713 0.805 . . . . 0.0 112.037 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.82 -12.52 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 57.1 mtt180 -86.07 9.69 16.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.906 0.384 . . . . 0.0 110.3 178.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.97 113.43 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.343 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -103.38 -18.97 14.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.176 0.513 . . . . 0.0 110.394 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.08 121.56 31.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.786 176.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.03 108.29 0.29 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -72.84 -13.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.846 -176.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 2.1 mp0 -56.88 -47.26 80.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.251 178.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.43 -24.42 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.758 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.8 75.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.101 0.477 . . . . 0.0 110.196 175.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.9 mtp180 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.999 174.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.507 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 15.4 t -68.78 -25.3 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.82 -178.073 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -63.2 -43.23 98.76 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.291 -0.256 . . . . 0.0 111.588 171.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.618 . . . . 0.0 109.597 174.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 32.4 tt0 -59.95 -38.35 82.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.888 175.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.84 -44.62 93.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.103 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -88.79 -8.52 54.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.895 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.63 38.52 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.518 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.68 -172.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.521 0.201 . . . . 0.0 110.946 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.926 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -108.56 147.46 31.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -117.68 126.3 52.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.647 174.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.43 120.43 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -84.11 134.37 34.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.7 p -126.21 130.29 50.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.409 0.624 . . . . 0.0 112.392 -175.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 42.9 t -93.95 110.74 22.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 171.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -91.32 -3.85 56.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.354 -173.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -96.06 -12.55 24.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.293 178.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.2 p -126.59 -8.78 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.361 0.601 . . . . 0.0 109.982 -177.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 62.99 77.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.584 -175.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -126.8 123.87 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.022 177.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 68.12 10.96 8.16 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.135 0.897 . . . . 0.0 111.528 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.6 t -72.01 -49.31 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 110.272 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.84 -30.5 71.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.574 179.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 60.5 tttp -60.33 -56.29 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.826 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.71 -27.14 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -74.63 -54.89 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.033 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -70.33 -34.77 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.329 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.5 OUTLIER -58.84 -51.37 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.347 -177.933 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 122' ' ' PRO . 49.7 tp -71.93 -37.4 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.577 -178.097 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 64' ' ' ILE . 46.1 mtm -58.41 -30.17 66.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.913 -178.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 174' ' ' ARG . 15.8 mmt180 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.048 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.04 -30.32 71.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.897 0.38 . . . . 0.0 110.531 177.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 173' ' ' MET . 64.3 mt -62.13 -36.9 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 176.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -59.86 -44.5 94.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.5 m -62.72 -32.19 73.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.42 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 68.2 mmtt -69.83 -37.63 76.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.096 0.474 . . . . 0.0 111.262 177.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.594 ' HE3' HD22 ' A' ' 12' ' ' LEU . 26.6 mtpp -76.0 -30.15 58.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.09 0.471 . . . . 0.0 110.438 177.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.2 mtm . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.461 179.908 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.499 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.3 m . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.95 0.405 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -60.24 -31.65 70.4 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.226 -179.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.73 63.99 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 110.665 178.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -66.48 -39.39 94.03 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.017 178.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' B' ' 442' ' ' LYS . 50.0 mm -59.31 -51.3 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.299 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.11 -39.22 78.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.174 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.58 -43.69 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 176.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.525 ' HB2' HD11 ' B' ' 439' ' ' LEU . 53.5 mt-10 -65.97 -44.05 86.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.647 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.0 mt -53.46 -54.22 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.566 179.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.3 -29.31 68.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.733 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.22 -52.69 63.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.426 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.0 mm-40 -66.59 -28.29 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -177.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.53 -41.32 89.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.073 173.193 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -67.86 -52.12 40.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 178.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.419 ' O ' HD23 ' B' ' 412' ' ' LEU . 7.4 mp -56.41 -46.45 80.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 429' ' ' LEU . 26.9 tp -66.04 -37.42 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 110.259 179.011 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.41 -37.88 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.151 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 15.6 t -59.47 -53.02 62.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.449 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.419 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -57.26 -36.56 71.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.103 0.478 . . . . 0.0 110.774 175.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.6 m-70 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.693 -178.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -78.01 -44.53 26.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -59.48 -54.74 43.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 -175.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.646 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -70.89 -25.98 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.335 -175.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.4 tt0 -64.5 -16.64 62.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 -176.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.11 0.42 67.32 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.908 178.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 -3.99 34.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.503 176.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 11.4 mt -107.53 135.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 166.48 32.62 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.263 170.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 17.8 t70 -147.99 159.57 43.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 0.5 OUTLIER -64.2 -29.43 70.54 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.434 -175.473 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -64.55 -39.57 93.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 0.0 109.661 177.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 17.1 mttt -73.62 -43.47 59.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.793 -175.205 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 38.4 mt-10 -58.68 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -178.09 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.22 -34.86 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -68.3 -33.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.139 177.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 409' ' ' LEU . 11.9 tp -67.38 -40.22 85.68 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.217 -178.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.699 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 7.3 m95 -69.46 -44.17 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.808 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.426 ' O ' HG13 ' B' ' 435' ' ' ILE . 15.4 mm-40 -59.65 -52.69 64.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' B' ' 435' ' ' ILE . 14.7 p -60.76 -35.04 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.2 tp60 -57.86 -48.62 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.548 0.69 . . . . 0.0 110.258 174.512 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' B' ' 437' ' ' THR . 29.6 mtt180 -70.58 -27.15 63.89 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -71.83 -40.1 68.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' B' ' 440' ' ' LYS . 3.3 tm? -57.34 -46.01 83.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.395 172.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.616 HG22 ' HA ' ' B' ' 434' ' ' ARG . 5.1 t -74.27 -29.53 61.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.919 0.39 . . . . 0.0 110.666 -177.013 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.36 -35.69 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.911 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -65.74 -36.77 84.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.575 176.568 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 436' ' ' LEU . 46.6 mtpt -59.53 -36.5 76.25 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 109.551 175.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -67.66 -45.27 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.011 176.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.911 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.4 mtpt -57.85 -37.93 74.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.9 tm? -63.77 -44.96 91.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.25 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -81.61 -1.83 47.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.0 0.429 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -95.41 -21.5 18.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.53 178.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.241 -176.431 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 120.557 0.218 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.61 1.71 32.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.202 0.525 . . . . 0.0 112.359 -169.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.7 tp -128.27 123.1 33.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.462 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -119.95 134.65 55.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.292 -177.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 51.3 mmtt -111.32 110.17 20.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 64' ' ' ILE . 7.6 p -123.94 129.25 74.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.396 0.617 . . . . 0.0 111.118 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.22 116.0 51.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.735 176.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 ttt -90.16 118.16 29.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.167 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.57 171.8 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.22 0.534 . . . . 0.0 111.88 -173.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.69 -169.97 43.08 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -178.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -63.58 -65.33 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.111 0.455 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.82 -71.71 0.23 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.25 43.37 0.6 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.445 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 ' CG1' HD21 ' A' ' 128' ' ' ASN . 24.5 t -44.38 -63.87 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 O-C-N 124.521 0.777 . . . . 0.0 112.294 -176.095 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.4 10.12 1.11 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.678 177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 13.6 pttp -83.49 27.5 0.6 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.182 0.515 . . . . 0.0 111.039 -174.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -153.6 -38.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.248 0.547 . . . . 0.0 110.059 -172.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.26 14.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.489 177.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.04 -31.37 72.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.547 -174.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 66' ' ' ILE . 17.9 p -68.86 -36.23 77.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.336 -178.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 HG22 ' A' ' 40' ' ' VAL . 10.1 tt -64.43 -41.46 96.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 176.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -63.47 -35.53 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.33 -12.13 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.606 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.6 mtm -106.51 -50.07 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 111.61 -179.725 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 43.4 m-85 -93.22 -11.91 31.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.678 -174.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 24.6 t70 75.19 -28.35 0.19 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.392 0.677 . . . . 0.0 111.728 -178.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.87 170.43 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.996 0.427 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -87.14 147.45 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.346 -173.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 t -70.67 120.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.384 -177.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -108.44 -45.23 3.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.225 0.535 . . . . 0.0 109.903 173.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -146.14 112.3 5.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -173.19 91.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.5 mp0 -87.02 -54.52 0.38 Allowed Pre-proline 0 CA--C 1.538 0.482 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.873 -178.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 10.2 Cg_endo -49.56 102.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 123.421 2.748 . . . . 0.0 113.672 -173.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.569 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -165.15 52.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.343 176.117 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -86.89 -57.46 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.094 0.473 . . . . 0.0 110.675 -177.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.76 11.88 6.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.639 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.27 121.17 18.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.5 -170.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.2 p -96.7 139.81 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 1.1 p90 -129.91 121.9 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.463 0.649 . . . . 0.0 111.273 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -98.23 117.63 33.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.215 -177.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 57.1 tptt -111.63 128.61 56.11 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -90.24 125.69 35.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.5 m -136.68 145.13 30.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.4 p -106.48 102.5 14.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.736 0.779 . . . . 0.0 110.385 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -91.05 107.9 19.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.258 175.706 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 23.5 t70 78.42 -48.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.826 174.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.21 -55.08 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.002 -1.571 . . . . 0.0 114.981 -172.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.0 pt-20 -98.24 145.22 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.706 0.753 . . . . 0.0 111.824 -171.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -73.2 107.82 5.74 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.8 t -107.94 148.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.648 -175.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -113.47 119.39 37.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.416 0.626 . . . . 0.0 111.068 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 HD11 HG11 ' A' ' 17' ' ' VAL . 9.7 tt -106.4 119.73 56.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.476 176.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.8 114.63 28.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mp -108.04 129.37 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.51 . . . . 0.0 110.716 -174.017 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.1 tp -106.57 119.6 39.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.312 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 52.4 t0 -91.07 105.83 18.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.692 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 p -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.79 110.9 18.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.031 172.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 90.01 1.07 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.13 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -142.0 158.23 44.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.07 72.66 3.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 0.0 109.944 177.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.49 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.484 -178.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -77.34 73.05 3.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.25 -27.92 66.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 176.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.8 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -61.74 -28.72 69.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.568 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.885 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 76.7 mt -81.25 -40.63 18.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.644 0.259 . . . . 0.0 111.579 -175.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -90.84 -53.0 4.58 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.7 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.55 -55.28 6.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.066 0.46 . . . . 0.0 111.674 -175.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.8 HD22 ' HA ' ' A' ' 77' ' ' ALA . 53.8 m-80 -72.29 -31.11 65.44 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.03 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.885 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 10.2 m-85 -73.74 -28.43 61.69 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.0 m-30 -61.68 -23.89 66.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.556 0.217 . . . . 0.0 111.565 -177.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.75 -53.16 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.674 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 49.7 m -93.33 24.77 3.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 111.762 -177.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.11 141.85 15.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.659 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 41.6 mt-10 -96.42 -67.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.583 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -103.77 148.34 16.95 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.242 -177.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.7 m-85 -129.35 131.64 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.914 0.388 . . . . 0.0 110.747 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 74.9 mt -104.28 124.19 48.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.05 108.22 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.141 -178.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.873 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.8 m -117.24 135.58 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.268 0.556 . . . . 0.0 111.53 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -150.66 152.11 33.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.322 177.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.5 t -89.16 147.25 24.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.897 0.38 . . . . 0.0 109.993 178.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.739 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.62 1.35 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.539 ' CG2' HD22 ' A' ' 132' ' ' LEU . 11.4 p -93.11 -14.14 27.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.373 0.606 . . . . 0.0 109.703 171.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.78 101.41 12.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.643 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -78.23 -27.09 47.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.39 -52.49 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.463 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -60.64 -31.23 70.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.038 178.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.25 -42.87 96.23 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.937 0.399 . . . . 0.0 110.604 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.5 m -76.0 -31.82 59.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.302 0.572 . . . . 0.0 110.363 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.84 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.113 -177.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -52.92 -45.49 67.64 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.955 0.407 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.99 -34.64 76.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.46 178.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.43 -40.02 89.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.403 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -58.98 -47.17 86.11 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.34 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -57.63 -50.74 72.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.75 -40.94 85.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.341 179.097 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -64.88 -45.48 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 7.5 mp -68.11 -20.53 64.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.824 ' HA ' ' HE ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -59.09 -40.88 86.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 175.581 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.489 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -101.56 -21.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.328 -177.115 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -101.57 -91.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.968 -178.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 61.9 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.511 0.724 . . . . 0.0 112.939 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.16 54.91 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.344 0.592 . . . . 0.0 111.227 -173.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 20.3 mm-40 -105.33 -164.74 1.06 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.415 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.42 -72.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 171.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.652 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 71.2 mmtt -154.43 145.42 22.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.071 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.26 99.04 11.63 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 57.2 Cg_endo -75.85 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.538 2.158 . . . . 0.0 111.878 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 97.3 mt -116.78 156.06 27.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.446 -178.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tt -150.48 123.65 8.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.7 t -93.97 122.59 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -177.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.873 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.6 t -116.57 123.34 71.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -176.239 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.3 102.44 2.91 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.511 HD22 ' C ' ' A' ' 128' ' ' ASN . 0.2 OUTLIER -100.14 174.57 6.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.929 -0.16 . . . . 0.0 110.905 -176.326 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 25' ' ' VAL . 3.1 mptm? 66.56 26.6 9.83 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 123.602 0.564 . . . . 0.0 111.789 179.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -66.58 -0.37 2.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.061 0.458 . . . . 0.0 111.361 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.66 -33.69 75.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.867 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.539 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER -64.01 -39.68 94.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.366 178.344 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.03 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.778 175.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -76.82 -16.2 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 -172.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 77.5 mtp180 -84.58 8.35 16.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.512 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 36.4 ttp180 -62.64 114.06 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.379 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.0 -32.65 15.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.537 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.06 124.94 33.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.93 122.12 11.17 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.581 2.188 . . . . 0.0 111.723 178.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -67.02 -22.26 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.23 -178.357 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.04 -47.28 86.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.652 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.6 -23.46 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.32 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.26 175.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.0 mtp180 -63.38 -37.19 86.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.301 177.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.3 t -68.86 -24.5 64.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.102 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 26.9 mmtp -76.88 -34.49 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.046 -0.409 . . . . 0.0 110.59 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.61 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.63 -41.76 91.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.964 174.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.16 -43.8 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.168 -179.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -89.26 -4.89 58.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -175.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.27 35.13 34.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.53 177.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.33 -179.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.932 0.396 . . . . 0.0 111.094 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.79 161.76 13.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -130.85 117.88 19.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.85 136.29 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -175.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -91.62 127.16 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.144 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.3 p -136.54 159.75 40.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.235 0.54 . . . . 0.0 111.68 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -146.69 126.01 13.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.254 172.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.03 54.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.772 -177.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -64.09 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.377 -175.691 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.2 p -116.06 -14.61 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.583 -178.032 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 62.11 79.13 0.26 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.866 -179.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -129.37 116.03 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -178.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 56.87 27.42 12.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.469 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.483 ' O ' HG22 ' A' ' 168' ' ' VAL . 92.8 t -68.17 -43.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.151 178.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.86 -34.21 75.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -59.88 -44.66 94.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.219 -171.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.7 m -61.73 -27.14 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.606 0.241 . . . . 0.0 111.408 -175.081 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.11 -44.35 47.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.515 176.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -67.22 -46.37 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.251 -178.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -55.83 -51.38 67.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 110.606 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.7 tm? -60.91 -42.46 98.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.821 179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 60.3 mtm -64.47 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.172 -0.33 . . . . 0.0 111.815 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -68.45 -44.08 75.67 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 16.3 mm-40 -54.8 -45.88 74.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.753 0.311 . . . . 0.0 110.859 172.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 172' ' ' LEU . 66.2 mt -58.01 -36.92 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.204 179.555 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -56.57 -51.89 66.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.041 0.448 . . . . 0.0 110.54 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -70.11 -38.58 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.057 -177.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -62.76 -38.37 90.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.343 178.473 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 30.2 mtpp -74.32 -29.56 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.547 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 C--N 1.325 -0.46 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.715 -179.651 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.456 0.646 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -64.89 -26.33 68.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.246 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.41 15.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.821 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.43 -38.16 94.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.267 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.583 ' O ' HG13 ' B' ' 402' ' ' ILE . 19.3 mm -60.96 -53.24 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.732 0.301 . . . . 0.0 110.531 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.43 -45.98 87.39 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.029 -175.012 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.45 -38.55 91.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.669 0.271 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 13.2 tp10 -71.96 -31.98 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.065 177.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 398' ' ' ILE . 76.4 mt -61.27 -48.61 88.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.05 -37.37 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 0.0 110.626 176.591 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 44.4 ttt180 -67.47 -46.62 72.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.849 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -69.21 -37.83 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' B' ' 436' ' ' LEU . 57.0 mt-10 -61.91 -35.08 77.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.455 177.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -68.87 -46.32 68.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 175.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' B' ' 432' ' ' VAL . 78.5 mt -62.6 -48.91 77.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.069 0.461 . . . . 0.0 110.723 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.575 HD23 HG13 ' B' ' 432' ' ' VAL . 3.1 tm? -66.19 -31.99 73.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.038 179.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.4 -42.14 92.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 175.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.4 t -59.59 -54.58 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.1 mm? -56.57 -30.62 63.36 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 111.22 178.438 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -69.5 -44.8 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.389 176.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 97.1 mtt180 -76.92 -50.37 13.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.99 -48.28 82.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 111.781 -175.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 425' ' ' LYS . 7.8 mp -66.99 -25.32 66.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.317 -175.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 7.1 mt-30 -54.22 -29.33 46.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.427 177.503 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.3 -6.39 75.03 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.522 -176.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.18 13.45 58.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.379 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.3 mt -84.16 116.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.0 pttp -117.87 146.74 43.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.017 0.913 . . . . 0.0 112.702 -175.198 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.464 ' O ' ' HE3' ' B' ' 425' ' ' LYS . 17.3 t70 -150.88 169.27 22.12 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 171.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -72.07 -32.45 67.06 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.21 173.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 33.1 t -64.66 -40.59 95.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.539 -178.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.698 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.67 -39.14 91.02 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.626 -170.748 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.698 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.8 pt-20 -73.87 -41.79 61.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.429 -179.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 46.3 mt-10 -63.44 -45.13 92.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.509 ' O ' HG12 ' B' ' 432' ' ' VAL . 27.3 mmt180 -64.26 -35.4 80.71 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.052 177.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' B' ' 429' ' ' LEU . 0.7 OUTLIER -56.34 -56.07 25.65 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 123.238 0.336 . . . . 0.0 110.754 -178.276 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.674 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 38.8 m95 -68.82 -30.85 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.634 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 30.9 tt0 -64.13 -57.32 9.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.366 -177.206 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -64.85 -34.12 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.313 0.577 . . . . 0.0 109.79 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.79 -53.34 58.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.342 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.634 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -66.93 -28.48 68.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.371 -177.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.2 mt -70.53 -52.05 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.917 175.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' B' ' 406' ' ' GLU . 21.7 tp -56.56 -42.35 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.4 t -71.1 -40.13 71.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.824 -176.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.375 0.607 . . . . 0.0 110.141 176.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' B' ' 402' ' ' ILE . 44.7 tp -67.9 -42.81 80.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.257 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.99 -30.93 71.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.401 0.619 . . . . 0.0 109.679 174.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.1 tmt_? -67.43 -45.08 77.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.375 175.647 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -61.24 -28.91 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 177.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.03 -45.05 94.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.268 174.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -76.72 -12.94 60.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.2 tp10 -86.72 -9.98 54.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.819 178.3 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.316 178.185 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 177' ' ' ARG . 1.7 pt? . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -91.14 13.61 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.397 0.618 . . . . 0.0 111.078 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -139.34 118.8 12.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.062 176.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 26.3 m-70 -116.75 136.46 52.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 -177.597 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -113.52 106.83 15.02 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.417 177.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.6 t -109.19 110.49 32.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.849 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.5 120.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.504 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.8 mmm -89.75 108.61 19.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.408 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -94.88 153.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -176.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.83 -179.89 48.81 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.6 m -145.99 16.93 1.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.538 0.685 . . . . 0.0 109.797 -175.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.29 -169.82 38.91 Favored Glycine 0 N--CA 1.436 -1.318 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.793 -177.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.22 67.94 0.71 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.79 -1.195 . . . . 0.0 112.622 -178.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 94' ' ' SER . 68.0 t -66.73 -41.19 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 174.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.96 28.65 0.49 Allowed Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -176.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -74.0 -18.66 60.83 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -174.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -88.11 -15.11 37.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.417 . . . . 0.0 111.028 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.08 43.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.09 0.472 . . . . 0.0 110.69 178.024 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.705 -175.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 p -66.86 -39.75 87.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.255 -177.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.15 -41.16 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -69.36 -27.1 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.519 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 71.9 t80 -61.02 -36.38 79.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 176.436 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 ttm -94.28 -53.76 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.917 -176.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.68 -21.06 15.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.4 t70 66.48 16.81 10.52 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.982 0.896 . . . . 0.0 110.437 -175.112 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.03 147.16 25.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.734 177.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -78.79 148.07 33.06 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.94 105.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 0.0 111.183 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -104.44 -35.24 7.98 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 175.431 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -144.4 99.46 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.609 176.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -158.88 93.36 1.16 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.066 176.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 34.2 tt0 -82.59 -61.4 0.34 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.925 -174.185 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 50.6 Cg_exo -51.53 -90.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.926 2.417 . . . . 0.0 115.538 -162.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.478 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 17.7 p 47.53 25.87 0.71 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.883 0.473 . . . . 0.0 111.688 -168.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -87.08 -59.32 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.77 25.76 6.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.499 169.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 45' ' ' PRO . 6.4 t70 -91.13 111.26 22.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.595 -172.266 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -122.83 155.81 35.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.213 177.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.2 105.29 3.62 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -80.02 123.29 27.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.446 -168.372 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 52.2 tptt -101.19 127.56 47.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.303 178.252 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.12 129.05 34.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 62' ' ' VAL . 3.4 m -133.48 149.08 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.46 -179.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' GLU . 14.1 p -153.02 132.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.878 175.646 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.37 98.81 5.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.918 175.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.32 29.28 17.89 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.704 0.628 . . . . 0.0 112.215 176.2 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.27 -133.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.5 -1.333 . . . . 0.0 114.369 -177.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 pt-20 -92.28 152.78 19.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.688 -174.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.3 109.16 2.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.327 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 55' ' ' VAL . 11.5 m -106.76 179.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.9 134.66 31.93 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.797 -171.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.492 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 10.4 tt -108.6 112.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.597 0.713 . . . . 0.0 109.744 172.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -103.08 126.94 50.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.549 -177.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.44 137.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -167.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 tp -126.77 111.75 14.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.548 171.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -98.24 99.37 10.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.2 m -58.42 136.35 57.44 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.772 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.08 43.3 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.523 179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.29 46.17 3.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.369 -178.875 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -154.57 160.76 41.69 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.374 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -84.82 -23.01 29.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.018 -177.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -47.91 -64.67 0.73 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.657 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.27 72.3 4.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.167 -175.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.1 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.699 176.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.283 174.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.684 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 19.5 mt -91.36 -22.0 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.92 -179.037 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 40.1 mtp85 -92.64 -66.44 0.92 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.509 -179.219 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.2 -52.45 9.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.698 -174.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.783 HD22 ' HA ' ' A' ' 77' ' ' ALA . 51.8 m-80 -72.15 -24.63 61.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.531 -170.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.684 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -88.29 -26.99 22.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.603 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HB2' HG21 ' A' ' 114' ' ' VAL . 13.6 m-30 -65.8 -14.59 61.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.866 0.365 . . . . 0.0 111.857 -175.629 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 22.0 mmm180 -54.65 -64.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -176.239 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.594 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.1 m -91.96 27.09 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -171.164 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.35 175.18 34.42 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.978 176.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.559 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 50.1 mt-10 -111.88 -75.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.19 0.495 . . . . 0.0 110.499 177.502 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -108.9 155.09 16.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.4 -174.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -126.75 128.01 45.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -177.04 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 124' ' ' LEU . 66.6 mt -96.99 113.31 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.712 175.126 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 125' ' ' VAL . 50.2 mt -81.26 106.86 13.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -109.29 108.59 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 111.082 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -125.86 163.42 22.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.146 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.605 ' HB2' HG13 ' A' ' 25' ' ' VAL . 41.7 t -93.46 128.63 39.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.372 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 10.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.433 0.635 . . . . 0.0 110.747 -177.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 1.039 HG21 HD22 ' A' ' 132' ' ' LEU . 63.0 p -113.54 -13.49 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.259 174.314 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -112.33 102.47 10.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.625 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -72.36 -16.92 61.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.614 0.245 . . . . 0.0 111.147 -174.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.43 -54.69 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.691 0.281 . . . . 0.0 110.688 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 p -67.39 -27.17 66.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.902 0.382 . . . . 0.0 110.693 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.1 t80 -62.52 -38.88 91.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.361 173.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.4 m -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.268 0.556 . . . . 0.0 110.175 179.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -15.26 62.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.901 -177.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 47.5 p -56.85 -38.49 72.75 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.706 0.288 . . . . 0.0 111.425 -178.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.8 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.54 -35.26 73.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.661 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -57.39 -51.36 69.71 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.204 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.98 -52.2 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.285 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.8 mt-10 -57.25 -45.28 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.742 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.87 -39.5 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.0 110.326 -176.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.7 mt -61.44 -45.48 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.049 178.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 8.0 mp -71.54 -20.01 62.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 94.6 mtt180 -79.24 -42.45 25.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.628 0.252 . . . . 0.0 111.1 178.148 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.9 m -80.03 -28.87 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.508 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 55.4 mttm -98.09 -82.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.293 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.62 -71.0 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.612 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -87.16 61.46 6.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 111.22 -175.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.695 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 21.5 mm-40 -105.67 -168.22 1.42 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.415 179.143 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.9 -62.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.229 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -150.41 139.47 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.837 177.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mt -115.03 99.16 51.91 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.415 -177.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.61 ' HG2' HG12 ' A' ' 176' ' ' ILE . 6.5 Cg_endo -88.47 125.26 1.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.453 2.768 . . . . 0.0 112.743 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.14 161.22 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.51 ' HG ' ' HG2' ' A' ' 153' ' ' GLN . 4.1 tt -148.59 129.81 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 174.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 HD12 ' A' ' 91' ' ' LEU . 20.2 t -91.26 113.53 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 0.0 110.282 -178.263 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.24 112.32 39.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.661 -177.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.3 134.93 13.49 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.983 175.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 13.0 t-20 -124.53 173.45 8.46 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.262 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 31.7 mmtm 68.89 23.94 6.6 Favored 'General case' 0 CA--C 1.521 -0.144 0 O-C-N 123.662 0.601 . . . . 0.0 110.73 -173.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.9 m -67.53 -2.49 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 176.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.84 -28.7 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 1.039 HD22 HG21 ' A' ' 96' ' ' THR . 8.5 mp -64.26 -45.05 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.406 175.2 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 65.27 -77.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.023 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.74 -23.27 58.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.929 0.395 . . . . 0.0 111.082 -175.023 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.757 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 41.8 mtt180 -85.12 17.76 2.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.291 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -61.16 114.49 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.618 ' H ' ' HA ' ' A' ' 96' ' ' THR . 46.7 mt-30 -104.8 -13.45 15.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 -179.623 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 109.6 45.82 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 169.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.02 118.24 5.08 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.124 1.883 . . . . 0.0 111.329 177.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -27.35 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 21.3 mp0 -56.91 -48.96 76.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.766 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.14 -29.71 34.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -61.52 -49.11 78.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.54 176.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -65.97 -39.97 90.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.055 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.8 t -54.67 -43.98 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.167 -177.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -60.47 -50.54 73.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.498 0.19 . . . . 0.0 111.506 176.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -58.12 -43.7 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.86 -39.66 94.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.42 -34.94 75.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -178.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -80.97 -13.26 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.63 31.2 24.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.404 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.07 -177.57 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 111.077 179.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.51 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -103.15 144.82 30.81 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.091 177.686 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.403 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 87.0 t80 -115.17 113.75 24.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.683 173.433 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 168' ' ' VAL . 2.2 p -139.52 128.98 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.402 177.43 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.07 160.83 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.584 -174.38 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.6 p -132.82 129.99 39.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.017 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.8 p -108.09 119.97 41.0 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -94.06 -11.65 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.511 -172.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -74.94 -29.26 60.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.364 0.602 . . . . 0.0 110.121 178.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -116.59 -12.11 10.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 63.79 80.88 0.22 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.136 -175.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.32 131.07 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.249 175.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 66.82 13.42 9.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.694 0.797 . . . . 0.0 111.831 -177.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.87 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.573 0.225 . . . . 0.0 110.956 -176.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.52 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 5.5 p-10 -71.43 -24.17 61.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.126 0.489 . . . . 0.0 110.555 178.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -58.58 -47.53 83.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.544 -177.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.437 HG12 HG13 ' A' ' 155' ' ' VAL . 35.2 m -69.17 -30.29 45.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.522 -176.535 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -70.98 -47.69 57.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.865 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.99 -39.83 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.291 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.23 -50.71 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.437 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.9 tm? -59.12 -46.43 88.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.725 178.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 66.9 mtm -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.617 0.246 . . . . 0.0 111.373 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.507 ' NH1' ' HE ' ' A' ' 177' ' ' ARG . 3.1 mmm180 -65.56 -43.76 88.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.491 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 5.5 mt-10 -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.602 175.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.61 HG12 ' HG2' ' A' ' 122' ' ' PRO . 64.1 mt -60.26 -39.52 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -178.638 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.507 ' HE ' ' NH1' ' A' ' 174' ' ' ARG . 7.2 ptt180 -66.59 -31.73 72.62 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.155 -179.095 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.7 m -69.92 -33.72 72.53 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.133 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.5 mptt -66.54 -48.44 69.7 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.485 176.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -65.36 -26.0 67.82 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 C--N 1.325 -0.494 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.344 174.955 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.544 ' O ' HG12 ' B' ' 398' ' ' ILE . 15.7 m . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -57.83 -34.91 70.18 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 -177.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.14 -55.64 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.197 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.6 91.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.02 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 394' ' ' THR . 47.9 mm -63.12 -51.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.802 0.334 . . . . 0.0 110.787 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' B' ' 402' ' ' ILE . 9.6 mtpm? -61.89 -39.36 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.475 -177.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -65.03 -41.54 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.388 176.194 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' B' ' 439' ' ' LEU . 2.7 tp10 -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.369 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.713 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.6 mt -53.56 -53.12 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.472 174.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' B' ' 406' ' ' GLU . 26.6 mmt180 -62.99 -35.46 80.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 -178.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD3' ' OE1' ' B' ' 401' ' ' GLU . 68.2 ttt180 -59.38 -46.54 88.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.635 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.682 HE21 HG23 ' B' ' 432' ' ' VAL . 14.7 mm100 -72.21 -34.14 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.411 -179.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' B' ' 403' ' ' ARG . 38.0 mt-10 -60.12 -45.18 93.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 175.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.63 -47.38 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 177.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 49.3 mt -57.34 -52.16 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.116 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.696 HD23 HG13 ' B' ' 432' ' ' VAL . 0.5 OUTLIER -62.17 -42.39 99.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.622 179.165 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.531 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 52.7 t30 -59.21 -56.49 21.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.0 m -61.12 -43.19 99.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.735 -177.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' B' ' 429' ' ' LEU . 13.0 mt -59.1 -51.99 67.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.052 177.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 0.9 OUTLIER -66.93 -31.04 71.35 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.708 -177.529 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 55.0 mtm180 -64.76 -45.77 84.98 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.61 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.29 -38.55 85.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.965 -177.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 97.2 mt -62.2 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.245 -179.147 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.54 -10.22 59.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.57 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -88.05 5.8 84.35 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.406 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.3 14.77 58.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.042 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.4 mt -102.61 128.05 55.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -151.64 147.76 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.54 0.686 . . . . 0.0 111.8 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.723 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 16.2 t70 -150.21 171.24 17.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.805 -178.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 8.8 mp -70.53 -31.44 68.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.709 0.766 . . . . 0.0 109.688 173.396 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -63.73 -35.13 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.138 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.9 pptp? -71.16 -42.06 69.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.583 -174.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.62 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.8 pt-20 -67.52 -41.16 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 110.305 -175.204 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 15.6 mm-40 -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.926 179.476 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 432' ' ' VAL . 22.7 tpt180 -67.05 -41.97 85.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 -177.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 412' ' ' LEU . 5.9 mp -54.63 -53.24 57.32 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 123.108 0.255 . . . . 0.0 111.262 176.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 89.7 m95 -63.15 -30.12 71.33 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.386 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.632 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 64.3 mt-10 -66.16 -56.56 10.8 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.853 175.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.696 HG13 HD23 ' B' ' 409' ' ' LEU . 2.4 p -64.65 -33.57 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 -179.355 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -56.03 -51.93 66.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.418 174.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.632 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 3.5 ptm180 -67.09 -26.68 66.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.125 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 32.4 mt -77.78 -40.5 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.327 177.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.53 -40.74 83.8 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 177.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -74.92 -33.43 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.74 -39.29 93.38 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.238 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.713 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.3 OUTLIER -61.01 -38.65 86.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.059 177.436 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.45 -49.02 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 176.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.502 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.4 OUTLIER -61.87 -44.93 95.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.741 179.943 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.449 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.0 tp -64.06 -40.48 96.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.98 -7.21 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.016 0.436 . . . . 0.0 110.816 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.502 ' HB2' HH11 ' B' ' 441' ' ' ARG . 42.5 tt0 -94.44 -26.35 16.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 178.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.81 -178.408 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.639 0.257 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -96.21 7.07 47.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.46 0.648 . . . . 0.0 110.56 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 32.4 tp -130.45 127.69 39.75 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.565 179.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -137.22 141.53 42.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.518 -177.292 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -116.39 131.4 56.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 172.754 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.14 117.96 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.606 0.717 . . . . 0.0 110.178 177.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.408 HD12 ' CE1' ' A' ' 89' ' ' PHE . 59.7 mt -108.99 122.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.897 -177.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.727 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 18.6 mmt -81.16 122.89 27.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.539 174.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 90' ' ' LEU . 26.8 m -96.52 155.99 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 111.171 -177.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.52 160.9 26.5 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.6 m -134.75 -71.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.728 0.264 . . . . 0.0 110.656 178.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.06 -66.38 1.81 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.875 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.64 2.97 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.082 177.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 27' ' ' LYS . 60.0 t 67.54 99.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.35 0.595 . . . . 0.0 111.051 -178.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 28' ' ' SER . . . -57.54 -60.61 8.69 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.805 176.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 22.2 pttm 58.39 -16.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.152 1.781 . . . . 0.0 115.197 170.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 26' ' ' GLY . 5.7 m -90.21 -12.68 37.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.043 0.449 . . . . 0.0 110.774 -177.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.68 -48.97 34.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.533 -178.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.72 -34.28 76.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.682 -172.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' MET . 18.4 p -67.94 -39.52 83.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.294 -176.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -68.37 -40.91 81.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.772 177.543 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.5 mm100 -61.81 -37.6 85.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.008 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.98 -36.56 80.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.987 -176.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.435 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 7.7 ptp -78.37 -50.44 11.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.572 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 89.7 m-85 -89.46 -86.43 0.19 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.377 -178.395 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 30.5 t70 163.01 -36.09 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.086 0.866 . . . . 0.0 109.956 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.12 162.74 13.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.909 -171.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 59.8 t80 -75.75 132.16 40.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.083 -169.102 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.7 p -89.02 131.94 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.194 176.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.39 -33.53 3.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.826 -177.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -119.66 93.09 3.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.105 0.478 . . . . 0.0 110.921 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -171.29 98.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.28 174.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.9 mm-40 -114.54 -35.35 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.184 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.477 ' CD ' ' H ' ' A' ' 44' ' ' GLU . 31.7 Cg_exo -59.52 95.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.382 1.388 . . . . 0.0 112.592 176.091 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 3.0 p -131.64 27.51 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -75.09 -57.46 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -176.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -126.14 17.19 7.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.453 -177.259 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.33 165.97 10.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.473 -175.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -153.58 150.99 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.154 0.502 . . . . 0.0 110.245 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -139.79 126.68 20.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.026 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -96.33 156.19 16.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.203 0.525 . . . . 0.0 111.445 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 51.5 tptt -134.66 127.81 31.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.016 177.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.28 122.36 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 153.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.7 p -125.92 115.29 42.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.516 0.674 . . . . 0.0 110.686 177.219 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.42 99.06 11.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.585 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 72.79 -51.21 0.71 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.286 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.03 -64.22 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.758 -1.21 . . . . 0.0 114.764 -170.031 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 pt-20 -97.21 144.7 26.77 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 117.654 0.727 . . . . 0.0 111.724 -172.637 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 124.96 25.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.475 -177.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -108.05 143.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.444 -175.249 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.1 135.44 53.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 0.0 110.438 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.1 125.98 65.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.6 -178.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.58 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 8.1 m-20 -90.95 121.05 32.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.313 178.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.7 mt -108.12 125.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 82' ' ' TYR . 33.4 tp -131.02 139.39 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.119 0.485 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.448 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 29.5 t70 -111.29 153.33 26.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 p -130.17 153.66 48.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -170.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 134.58 50.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.861 170.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -128.44 25.37 4.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.552 -175.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -74.06 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 111.907 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.86 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.37 -68.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.016 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 75.8 m-85 -83.09 54.02 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.831 -174.299 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.07 66.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.234 0.54 . . . . 0.0 110.022 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.44 -13.71 53.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.866 178.701 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 75' ' ' TYR . 50.2 mt -93.3 -30.24 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.072 0.463 . . . . 0.0 110.334 178.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -88.24 -60.65 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 -178.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -56.68 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.761 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 90.9 m-20 -59.24 -35.41 73.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 m-85 -77.32 -22.89 51.23 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.024 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.642 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 13.5 m-30 -64.52 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.257 -177.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.37 -37.09 74.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -171.285 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -112.1 44.0 1.49 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.376 -173.77 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.18 138.56 10.09 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.018 175.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.0 mp0 -79.59 -65.56 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 110.236 178.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.13 146.23 18.09 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.929 -173.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' HB2' HD23 ' A' ' 123' ' ' LEU . 91.1 m-85 -132.2 131.63 42.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.1 mt -103.47 115.44 30.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.84 105.67 17.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 172.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 128' ' ' ASN . 60.8 t -117.07 113.13 41.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.129 -176.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 36.5 p90 -126.25 148.83 49.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.449 -177.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 1.017 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -84.87 143.59 28.94 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.633 HG21 HH21 ' A' ' 136' ' ' ARG . 0.2 OUTLIER -74.07 7.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.957 0.408 . . . . 0.0 111.301 -177.49 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 135' ' ' ARG . 21.0 p -117.56 -6.04 11.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.232 175.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 1.017 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 20.5 mm-40 -106.47 101.81 11.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -177.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -69.49 -25.48 64.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -56.55 -54.3 47.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 3.8 m -66.3 -34.54 78.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.789 -177.114 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.19 -42.59 88.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.256 0.55 . . . . 0.0 110.62 -179.163 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.93 -15.76 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.177 -176.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -55.55 -45.43 77.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.509 -178.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.33 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.593 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.76 -39.11 84.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.3 -46.65 79.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.54 0.209 . . . . 0.0 110.464 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.33 -56.98 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.38 179.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 32.0 mt-10 -63.94 -42.17 97.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.027 -176.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -63.35 -37.08 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.281 -178.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.48 -46.33 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.192 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.29 -7.9 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -76.36 -30.56 57.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 176.432 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 115' ' ' LYS . 19.9 m -115.14 0.37 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.868 -176.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 83' ' ' PHE . 13.0 mmmm -129.4 -149.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.556 -176.45 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.77 11.54 3.14 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.567 0.747 . . . . 0.0 112.384 173.087 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.8 31.93 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.51 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 2.9 pt-20 -129.15 -164.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.477 -173.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.5 -59.43 2.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.737 -179.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HG2' ' HD2' ' A' ' 179' ' ' LYS . 56.0 tptt -163.04 134.82 5.11 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.75 0.309 . . . . 0.0 110.85 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 115' ' ' LYS . 54.9 mt -95.47 109.54 46.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.728 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HG3' ' HG3' ' A' ' 179' ' ' LYS . 2.6 Cg_exo -76.04 108.1 2.61 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 176.699 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 89' ' ' PHE . 69.8 mt -103.74 152.01 22.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.565 178.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 125' ' ' VAL . 5.8 tp -150.96 129.03 11.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.834 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.596 ' N ' HD12 ' A' ' 124' ' ' LEU . 25.4 t -103.14 123.03 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.975 179.177 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.09 133.89 65.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -175.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.58 107.14 3.32 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.842 176.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' SER . 9.8 t30 -95.08 155.13 16.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.585 0.231 . . . . 0.0 110.895 -176.384 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.8 tptm 67.52 24.64 8.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.285 175.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.3 m -74.29 47.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -121.41 -14.2 8.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.747 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.34 -44.73 64.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.539 -179.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.63 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.397 176.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.59 -33.83 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.679 0.276 . . . . 0.0 111.513 -174.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 96' ' ' THR . 64.6 mtt180 -89.41 8.48 30.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.669 -176.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.633 HH21 HG21 ' A' ' 95' ' ' ILE . 26.8 ttm180 -56.36 112.88 1.37 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.85 -36.46 19.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.219 -174.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.5 p -106.45 123.95 37.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 43.7 Cg_exo -56.85 120.1 7.8 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 111.883 179.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -75.07 -16.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.307 0.575 . . . . 0.0 109.616 -177.632 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.05 -50.05 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.18 178.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 9.0 pt-20 -76.87 -29.6 55.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.225 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.0 81.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.412 176.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.6 mtp180 -61.15 -47.8 84.53 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 174.235 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.535 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 7.8 t -68.0 -21.78 65.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.948 -175.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 46.9 mmtt -66.56 -50.65 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.677 174.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -59.51 -36.62 76.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.403 0.62 . . . . 0.0 109.727 173.621 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 45.1 tt0 -61.01 -47.44 86.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.051 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 145' ' ' SER . 45.2 mt-10 -60.52 -41.27 94.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 111.288 177.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -81.07 -9.39 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.796 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.64 31.68 32.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.005 177.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.469 HG23 ' HB1' ' A' ' 147' ' ' ALA . 12.5 m -124.21 178.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.621 0.248 . . . . 0.0 110.883 178.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.528 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.4 pt20 -92.36 156.83 16.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 78.3 t80 -130.58 119.26 22.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.018 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.41 133.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.765 -176.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.3 p -132.31 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.322 0.582 . . . . 0.0 111.502 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.0 t -130.57 118.39 20.96 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.9 -18.93 60.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.525 -176.079 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -78.22 -48.68 15.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.981 0.419 . . . . 0.0 110.455 -178.201 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.8 p -81.71 -18.25 45.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.633 178.023 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 63.4 67.73 0.64 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.17 178.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.96 136.9 46.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.559 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 72.5 -2.73 2.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.05 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 59.4 t -66.98 -35.64 75.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.271 0.558 . . . . 0.0 109.67 179.384 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.46 -36.51 79.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -72.53 -53.65 11.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.539 -173.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.27 -35.74 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 45.6 m-85 -74.03 -55.64 5.89 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.042 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.534 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 20.8 m-85 -61.59 -39.6 91.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.425 -175.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.63 -50.95 71.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.679 0.276 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 176' ' ' ILE . 34.4 tp -64.6 -40.26 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 178.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 58.1 mtp -61.18 -33.1 72.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.258 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 3.6 mmt-85 -68.04 -48.74 64.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 175.185 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 7.3 mm-40 -60.27 -33.73 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.7 mt -57.64 -35.5 50.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 110.109 175.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -70.7 -44.3 67.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.7 m -55.87 -42.37 75.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.243 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 55.9 mmtt -68.36 -39.65 81.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.518 -178.462 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.93 -22.34 59.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 177.592 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.451 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.4 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.048 0.451 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -58.75 -31.39 68.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.712 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.48 69.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.58 94.55 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.126 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' B' ' 442' ' ' LYS . 47.4 mm -60.15 -46.88 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 0.0 110.79 177.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.3 mttt -65.44 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -36.99 85.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.661 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.43 ' HB3' HD21 ' B' ' 439' ' ' LEU . 42.5 mt-10 -63.46 -46.81 84.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.128 174.015 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 85.5 mt -53.69 -52.69 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 176.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 66.8 mtp180 -56.77 -40.65 76.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.117 0.484 . . . . 0.0 110.824 178.484 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -58.81 -46.54 87.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 30.6 mm-40 -76.79 -30.88 56.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.7 mt-10 -59.85 -39.61 85.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.019 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.59 -50.01 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 175.387 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.588 ' HB2' HG21 ' B' ' 432' ' ' VAL . 55.7 mt -60.66 -46.09 91.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.709 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 48' ' ' ALA . 1.8 tm? -61.1 -43.91 98.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 109.226 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.69 -46.75 88.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.269 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -59.73 -55.52 33.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.638 -174.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -60.16 -38.17 82.35 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.75 0.31 . . . . 0.0 111.125 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.88 -44.62 96.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.85 -178.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.99 -37.09 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.38 -47.86 82.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.24 0.543 . . . . 0.0 111.163 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' B' ' 421' ' ' LYS . 48.5 mt -75.09 -25.71 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.997 -174.654 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.07 -9.64 7.94 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.65 13.02 49.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.315 177.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.01 41.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.57 144.07 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -177.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.652 ' HA ' HD22 ' B' ' 416' ' ' LEU . 17.7 pttm -157.73 157.58 33.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.401 0.619 . . . . 0.0 110.909 169.593 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.5 t70 -147.61 162.88 38.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.288 -178.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.76 -29.86 69.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.784 0.325 . . . . 0.0 111.167 -173.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 22.2 t -68.05 -32.29 72.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.656 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 16.8 mmtt -74.05 -52.39 12.83 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 -178.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 34.7 mt-10 -58.03 -46.99 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.643 -173.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.58 -36.76 76.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 178.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.577 ' O ' HG12 ' B' ' 432' ' ' VAL . 21.0 tpp180 -63.91 -42.2 97.47 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.386 178.581 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.505 HD11 HD12 ' B' ' 416' ' ' LEU . 8.2 mt -55.38 -51.85 65.49 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.718 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.714 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 16.2 m95 -66.37 -40.93 90.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.148 178.535 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 435' ' ' ILE . 36.3 tt0 -59.59 -56.12 25.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -176.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.588 HG21 ' HB2' ' B' ' 408' ' ' LEU . 7.3 p -63.11 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.323 0.582 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 21.9 tp60 -54.24 -52.98 59.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.415 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.99 -32.79 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.094 -178.727 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.4 mt -62.1 -41.97 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.306 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.3 -47.93 82.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.841 178.291 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.465 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.6 t -73.77 -32.83 63.99 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 -177.276 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.57 -37.48 86.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.207 0.527 . . . . 0.0 109.998 176.246 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.59 HD12 ' CD ' ' B' ' 442' ' ' LYS . 1.4 mp -62.78 -34.91 78.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.153 176.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.55 -38.57 84.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.039 174.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -68.54 -41.27 80.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.407 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.59 ' CD ' HD12 ' B' ' 439' ' ' LEU . 49.3 mtpt -57.43 -37.13 72.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.739 177.109 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.457 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.7 tp -63.81 -42.55 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.611 178.294 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 444' ' ' ARG . 50.7 mtp85 -81.92 -2.79 52.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.25 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 -11.82 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.723 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.191 -177.241 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.34 -1.66 41.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.226 0.536 . . . . 0.0 111.488 -177.475 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -128.41 125.74 39.21 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.609 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -128.54 143.34 50.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.39 -177.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 62.9 mmtt -118.2 113.04 20.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.113 178.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG22 HD23 ' A' ' 172' ' ' LEU . 82.9 t -113.38 106.3 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.33 0.586 . . . . 0.0 110.302 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -102.35 115.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 48.1 ttm -93.02 120.95 33.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.37 175.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -177.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.43 152.32 6.44 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -97.1 -69.55 0.75 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.909 0.355 . . . . 0.0 110.743 -173.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.57 -84.75 0.49 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.806 179.296 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -126.29 -51.96 0.16 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.222 178.014 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 24' ' ' GLY . 2.7 m 57.02 -2.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.092 1.357 . . . . 0.0 113.792 176.247 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.552 ' HA3' ' ND2' ' A' ' 128' ' ' ASN . . . 77.28 23.14 69.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.594 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 18.7 ptpt -58.6 -46.1 87.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.5 m -68.15 -33.33 74.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.684 -176.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.74 -45.38 58.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.682 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.681 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.4 mt -61.12 -43.88 98.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.74 -176.04 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.447 ' HB ' HG21 ' A' ' 66' ' ' ILE . 70.1 p -70.68 -45.57 64.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.484 -175.335 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.4 tm? -55.55 -40.37 71.82 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.165 0.291 . . . . 0.0 110.449 179.156 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.26 -41.61 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.33 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.416 ' HE2' HG21 ' A' ' 64' ' ' ILE . 65.5 t80 -72.62 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.619 179.228 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.32 -46.24 91.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.227 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 82.5 m-85 -110.45 -89.72 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.466 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 26.5 t70 165.36 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.809 0.693 . . . . 0.0 109.707 -172.417 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.5 153.14 18.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -173.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -75.77 123.69 26.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.366 -172.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.12 126.93 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.023 176.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.23 -50.17 3.13 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.751 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -115.82 122.9 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.436 -174.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.36 121.94 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.768 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.1 mt-10 -87.95 -68.47 0.13 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.525 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.768 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 22.1 Cg_exo -63.15 -85.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.584 2.189 . . . . 0.0 114.4 -163.349 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.568 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 37.7 p 49.15 50.87 17.26 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.187 0.595 . . . . 0.0 111.642 -172.024 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -87.0 -54.34 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.537 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.55 27.37 7.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.043 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' A' ' 46' ' ' THR . 1.7 m-20 -75.11 96.36 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.282 -175.643 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 78.4 p -106.34 171.43 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 168.586 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -164.82 127.2 2.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -80.88 106.24 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.935 177.383 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 64' ' ' ILE . 51.4 tptt -99.47 128.67 45.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.082 179.122 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -91.07 124.63 35.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.377 175.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -133.58 139.65 48.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 171.4 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.31 107.89 22.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.692 0.758 . . . . 0.0 110.135 -177.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.645 HD12 HH21 ' A' ' 177' ' ' ARG . 88.5 mt -89.26 98.92 12.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.631 -175.299 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 58.76 16.43 4.43 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.523 172.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.11 -40.96 0.92 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.54 -1.314 . . . . 0.0 114.412 176.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.93 139.83 34.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.658 0.729 . . . . 0.0 110.832 -175.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.46 109.05 14.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 109.795 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.5 t -109.09 150.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.28 -170.705 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.33 127.58 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.279 0.562 . . . . 0.0 111.409 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 53' ' ' LYS . 5.2 tt -117.54 139.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.961 178.332 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 38.1 t0 -121.03 147.12 45.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 50' ' ' SER . 96.9 mt -131.46 140.08 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.792 0.33 . . . . 0.0 111.747 -171.181 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -118.74 122.8 43.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 173.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 30.1 t70 -88.68 103.17 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 174.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -75.91 143.48 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -168.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.24 114.35 26.43 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.872 171.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 71.24 2.95 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.61 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -146.05 159.04 43.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.808 0.337 . . . . 0.0 111.096 -179.679 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.46 -24.05 61.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.109 -179.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.487 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.5 m-20 -58.14 -78.96 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.585 0.707 . . . . 0.0 111.779 -176.261 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.559 ' H ' HD13 ' A' ' 72' ' ' LEU . 90.7 m-85 -82.08 62.06 5.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.736 -174.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.98 -20.27 62.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.39 175.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.974 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -62.93 -25.33 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.558 177.337 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.644 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 20.2 mt -78.03 -26.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.13 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -92.89 -65.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.612 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.36 -53.01 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -174.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.974 HD22 ' HA ' ' A' ' 77' ' ' ALA . 63.1 m-80 -77.11 -18.34 58.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.812 -170.156 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 31.8 m-85 -93.36 -36.6 12.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 122.189 -0.32 . . . . 0.0 111.769 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.521 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 6.7 m-30 -58.17 -25.38 61.46 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.575 0.226 . . . . 0.0 111.172 -179.083 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HD3' ' OE2' ' B' ' 426' ' ' GLU . 4.6 mmp_? -47.89 -63.1 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.502 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -89.55 17.39 6.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.513 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.05 159.12 33.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.885 178.148 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 176' ' ' ILE . 10.1 tp10 -115.96 -75.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.741 0.305 . . . . 0.0 110.352 -177.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.53 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.67 150.01 16.72 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.511 -174.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -129.36 134.96 48.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.0 111.638 -176.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 124' ' ' LEU . 79.7 mt -101.87 111.19 23.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.079 174.624 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 104' ' ' THR . 9.9 mp -81.23 105.58 12.54 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.849 HG22 ' HB ' ' A' ' 126' ' ' VAL . 64.1 t -118.33 139.56 45.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.544 -175.066 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 44.7 p90 -152.17 155.83 38.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.96 177.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 m -89.45 144.52 25.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -71.95 5.46 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.967 0.413 . . . . 0.0 111.411 -179.77 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 132' ' ' LEU . 16.7 p -107.54 -34.31 7.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 110.338 172.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -77.88 93.27 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.785 177.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.18 -28.82 62.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.441 -173.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.43 -45.17 88.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 p -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.923 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -65.66 -47.62 74.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.354 177.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.6 m -67.99 -35.41 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.492 178.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.77 63.23 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.567 -175.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 38.3 p -56.83 -44.82 82.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.9 78.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.52 . . . . 0.0 110.427 178.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.92 -36.47 72.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.108 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.495 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.7 m-85 -57.09 -40.65 77.37 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.065 177.705 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -55.02 -52.51 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.626 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -32.22 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.855 -179.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.365 0.603 . . . . 0.0 109.845 179.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.3 mt -71.87 -52.45 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.355 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.5 mp -64.95 -15.41 62.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.984 0.421 . . . . 0.0 111.687 -179.432 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -71.1 -30.24 66.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.584 177.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.65 -15.46 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.984 -175.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HB2' ' OE2' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -154.37 132.41 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.349 . . . . 0.0 110.533 -179.361 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.81 -39.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.731 -178.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.09 69.58 9.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.557 0.694 . . . . 0.0 110.408 -176.26 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.631 ' OE2' ' HB2' ' A' ' 115' ' ' LYS . 9.4 pt-20 -149.86 -158.24 0.9 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.67 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 60.1 m-20 -60.2 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.523 0.201 . . . . 0.0 111.156 -177.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 13.1 mmtp -168.87 122.58 0.83 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.121 178.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 79.5 mt -78.86 113.25 33.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.163 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 5.0 Cg_endo -87.48 127.83 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.595 2.863 . . . . 0.0 112.377 177.585 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.85 133.8 54.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.236 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -126.68 121.97 33.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.154 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -89.85 121.54 40.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.086 -178.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.849 ' HB ' HG22 ' A' ' 92' ' ' VAL . 41.0 t -120.33 126.07 74.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -174.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 139.88 15.2 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 173.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.552 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 57.9 t30 -133.83 161.67 34.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.289 0.545 . . . . 0.0 110.335 -178.345 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 71.51 24.24 3.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.737 0.648 . . . . 0.0 110.907 -176.354 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -61.29 -8.22 3.61 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.05 -16.28 63.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.327 0.584 . . . . 0.0 110.324 174.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 96' ' ' THR . 69.5 mt -81.16 50.05 1.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.79 -29.46 68.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.92 -7.36 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.143 -0.348 . . . . 0.0 111.673 -177.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 96' ' ' THR . 94.2 mtt180 -123.77 3.65 8.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.663 -0.415 . . . . 0.0 112.045 -176.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -54.56 114.26 1.61 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.919 0.39 . . . . 0.0 110.638 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -91.67 -29.74 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.365 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.6 p -114.94 121.56 35.13 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.874 178.467 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.83 122.6 12.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.509 2.14 . . . . 0.0 111.148 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -72.24 -7.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 -174.647 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -56.16 -60.12 3.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.118 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -19.45 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.07 0.462 . . . . 0.0 110.911 -178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.15 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.106 174.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 46.5 mtp180 -67.16 -37.07 83.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.847 175.394 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 21.0 t -59.7 -44.93 93.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.838 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -54.78 -48.87 72.14 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.7 -38.94 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.873 176.589 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.98 -34.58 75.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 -179.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 44.2 mt-10 -63.9 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 178.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -89.89 -6.95 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -177.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.71 25.38 50.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.736 177.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.457 HG23 ' HB1' ' A' ' 147' ' ' ALA . 19.7 m -117.01 -178.88 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-O 120.953 0.406 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -100.19 151.48 21.38 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 -178.469 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 74.7 t80 -122.75 128.48 50.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.804 175.558 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.4 133.76 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.292 -178.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -91.52 136.33 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.9 p -128.88 154.95 46.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.124 0.488 . . . . 0.0 110.978 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -135.93 100.1 4.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.136 174.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.681 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -59.95 -21.02 60.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.27 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -63.41 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.838 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.4 p -112.6 3.12 16.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.192 -178.052 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.62 20.49 12.26 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.675 -177.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.2 118.05 15.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.726 -176.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 66.73 8.14 5.72 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.284 175.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.28 -46.26 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 111.676 -174.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -75.9 -22.72 55.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.217 -176.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -60.19 -53.67 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.145 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.57 -25.96 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -74.41 -42.42 59.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 177.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.95 -41.09 78.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -48.6 81.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.405 HD23 HG22 ' A' ' 17' ' ' VAL . 43.3 tp -65.05 -37.14 86.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.0 mtm -66.78 -31.08 71.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.308 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -69.0 -39.11 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.621 177.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.562 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.0 mm-40 -53.6 -48.5 69.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 111.375 172.527 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.5 mt -55.96 -34.95 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.645 HH21 HD12 ' A' ' 57' ' ' LEU . 82.9 mtt-85 -68.97 -50.17 51.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -60.79 -36.38 78.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.8 mptt -64.56 -46.93 80.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.265 178.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.4 mmtt -74.1 -33.12 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.852 -175.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.695 -179.635 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.523 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.4 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.28 -38.35 71.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.546 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.957 178.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.88 -40.85 99.78 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.893 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.627 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.3 mm -54.12 -51.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.678 0.275 . . . . 0.0 110.753 177.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.2 mttm -57.34 -41.55 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.696 -178.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.34 -35.62 73.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.58 0.229 . . . . 0.0 111.465 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.7 mt-10 -70.26 -34.56 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.867 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 398' ' ' ILE . 59.0 mt -57.94 -50.47 77.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 171.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 70.0 mtm180 -57.33 -37.21 72.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.458 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.0 ttm180 -58.99 -49.36 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 177.124 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 52.0 mm-40 -72.85 -35.92 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.59 ' HG2' HD21 ' B' ' 436' ' ' LEU . 64.0 mt-10 -60.77 -38.08 84.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.24 -49.86 25.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.162 176.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 84.9 mt -57.61 -46.1 84.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -178.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.555 HD13 HG13 ' B' ' 432' ' ' VAL . 29.9 tp -72.36 -33.04 66.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.369 -178.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.67 -41.5 99.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.107 175.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 8.9 t -60.66 -53.54 56.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 1.8 mm? -52.25 -40.95 62.38 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 175.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -62.33 -44.57 96.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.152 177.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.477 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 61.8 mtt180 -77.46 -51.07 11.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.9 -46.47 89.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 0.0 111.794 -176.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.702 ' HG ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 mp -67.73 -25.64 65.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 -174.427 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 35.1 mt-30 -57.84 -24.63 58.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.803 0.335 . . . . 0.0 110.492 174.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.45 -12.48 77.12 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.181 -176.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.53 0.23 62.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.677 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.8 116.42 7.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.568 ' HA ' ' HD3' ' B' ' 425' ' ' LYS . 19.3 ptpt -121.12 142.42 49.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 122.236 1.017 . . . . 0.0 113.567 -174.426 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.667 ' O ' ' HG2' ' B' ' 425' ' ' LYS . 11.1 t70 -150.18 167.73 26.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.218 -1.81 . . . . 0.0 106.534 173.445 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.97 -31.5 66.34 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 118.926 0.784 . . . . 0.0 109.13 171.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 5.9 m -66.0 -32.37 73.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.846 -177.407 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HD2' ' HG ' ' B' ' 416' ' ' LEU . 20.0 pttp -63.58 -46.7 84.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 111.122 -174.219 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.592 ' N ' ' HG3' ' B' ' 425' ' ' LYS . 1.7 pt-20 -72.45 -40.13 67.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -177.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.2 mt-10 -62.1 -45.46 93.38 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.039 176.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -71.16 -29.21 64.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.046 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 1.3 mt -56.45 -50.34 72.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 O-C-N 123.345 0.403 . . . . 0.0 109.975 175.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.602 ' CZ3' ' HD2' ' A' ' 16' ' ' LYS . 80.3 m95 -71.2 -32.09 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.534 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.719 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 45.6 mt-10 -63.8 -56.63 14.0 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.063 -178.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.555 HG13 HD13 ' B' ' 409' ' ' LEU . 7.7 p -65.08 -33.46 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 109.953 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.293 177.061 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.719 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 0.4 OUTLIER -70.94 -27.36 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.471 -176.545 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' B' ' 432' ' ' VAL . 31.5 mt -75.0 -39.55 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.054 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.59 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.4 tm? -57.66 -49.34 76.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.1 t -70.44 -36.27 73.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 -178.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.55 -37.56 87.05 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.979 177.263 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.834 ' HA ' ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -65.28 -41.1 94.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.321 -178.896 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.9 -29.67 68.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.313 177.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.466 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.5 OUTLIER -68.24 -43.18 78.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.834 ' HD3' ' HA ' ' B' ' 439' ' ' LEU . 25.8 mtpp -58.44 -31.49 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.78 175.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.5 tm? -68.6 -40.25 80.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.077 178.885 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -81.47 -3.52 53.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 177.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.466 ' HB2' HH11 ' B' ' 441' ' ' ARG . 6.0 tp10 -91.92 -17.25 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.974 175.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.984 -177.333 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--O 1.233 0.207 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -84.11 6.53 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.135 -172.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.3 108.73 20.45 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -116.25 148.82 40.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.462 . . . . 0.0 111.928 -173.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -131.45 107.16 8.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.715 174.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -118.05 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.526 0.679 . . . . 0.0 110.322 -178.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 75.0 mt -104.68 114.95 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.983 -178.088 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.42 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 55.8 ttm -85.96 127.81 34.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 175.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.78 166.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.035 0.445 . . . . 0.0 111.3 -176.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.46 161.44 22.92 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 m -82.6 17.94 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.367 0.603 . . . . 0.0 110.447 -176.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.52 -70.45 0.51 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.376 -176.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.56 -99.8 0.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.454 -0.403 . . . . 0.0 113.37 -177.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m 50.42 18.11 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.036 1.334 . . . . 0.0 113.656 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.26 19.53 78.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.158 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 16.3 ttpp -84.81 57.38 4.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.024 0.916 . . . . 0.0 110.046 -173.7 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -156.65 -34.23 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.914 -1.494 . . . . 0.0 109.487 167.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.77 -55.16 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 178.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.39 -37.79 78.87 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.603 ' HB ' HG21 ' A' ' 66' ' ' ILE . 53.1 p -66.87 -48.67 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.045 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CB ' HG21 ' A' ' 40' ' ' VAL . 87.4 mt -67.72 -30.77 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.733 179.407 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.709 HE22 ' HA ' ' A' ' 39' ' ' PHE . 21.1 mm-40 -58.52 -43.19 89.1 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HE2' HG21 ' A' ' 64' ' ' ILE . 59.5 t80 -72.69 -23.52 60.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.354 . . . . 0.0 111.086 -177.169 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 65.8 mtm -96.26 -43.97 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.449 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -88.46 -13.61 39.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.082 -179.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 72.8 -39.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.964 0.79 . . . . 0.0 112.031 177.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -97.43 172.41 7.78 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 122.401 0.28 . . . . 0.0 110.938 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.709 ' HA ' HE22 ' A' ' 33' ' ' GLN . 46.7 t80 -75.5 145.4 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -177.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 32' ' ' LEU . 60.6 t -99.61 132.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.624 -171.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -87.91 -68.45 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 175.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -134.62 128.21 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 111.75 -179.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -156.34 91.57 1.26 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 38.7 tt0 -71.6 -53.6 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -172.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 32.3 Cg_exo -58.55 96.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.07 1.847 . . . . 0.0 112.785 -175.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 15.8 p -144.76 27.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.166 177.431 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -86.75 -56.24 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 110.691 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.83 27.46 6.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.626 178.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.86 107.4 18.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.696 -170.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 30.8 m -93.26 166.77 12.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.612 171.603 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 40.3 t80 -154.71 141.91 19.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.161 178.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 52' ' ' ARG . 38.0 mtp-105 -100.99 121.25 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.306 -175.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 54.5 tptt -107.31 133.42 51.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.036 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -99.87 127.94 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.174 176.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.92 163.44 37.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.39 113.33 43.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.669 176.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.6 94.99 9.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 23.07 76.71 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.245 1.591 . . . . 0.0 114.054 -176.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.26 -52.66 0.82 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.14 -1.029 . . . . 0.0 114.349 173.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.16 147.48 26.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.566 0.683 . . . . 0.0 111.899 -170.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.41 114.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.599 ' HA ' ' HB1' ' A' ' 13' ' ' ALA . 10.0 t -106.65 141.4 21.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.831 -171.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.47 117.65 32.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -119.39 113.16 40.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.333 0.587 . . . . 0.0 109.599 174.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.77 131.13 45.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.836 -178.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 ' HB ' ' A' ' 31' ' ' THR . 37.6 mm -107.54 128.62 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.093 -174.346 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.0 tp -109.83 122.89 48.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 176.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 t0 -94.76 112.75 24.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.24 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 p -86.74 116.61 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.447 . . . . 0.0 112.073 -175.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.65 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 174.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 88.44 0.91 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.195 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -157.99 165.43 35.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -178.917 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -96.22 -3.55 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.458 178.119 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.403 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.2 m-20 -57.13 -70.05 0.14 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.253 176.684 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.678 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.0 m-85 -83.02 -52.53 6.58 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.775 -176.409 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.04 -38.35 0.33 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.592 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -56.55 -30.2 62.84 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.411 0.685 . . . . 0.0 112.207 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.52 -28.44 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.135 -178.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -93.86 -65.95 0.95 Allowed 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.461 178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -74.84 -52.34 11.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.245 0.545 . . . . 0.0 111.62 -172.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.786 ' HB3' HD23 ' B' ' 416' ' ' LEU . 90.1 m-20 -72.01 -16.28 62.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.392 -171.201 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.2 m-85 -91.53 -33.57 15.11 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.086 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.1 m-30 -59.25 -28.46 66.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -169.232 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -60.79 -42.7 98.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.249 -0.181 . . . . 0.0 111.446 -173.131 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.668 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 19.9 m -84.89 12.97 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.823 0.344 . . . . 0.0 111.811 -177.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -156.95 29.57 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 174.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 3.5 tp10 -164.88 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.084 0.442 . . . . 0.0 110.18 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.08 138.44 14.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.944 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.72 137.86 49.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 0.0 111.932 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -108.1 112.88 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.912 176.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.3 106.27 18.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' A' ' 126' ' ' VAL . 58.3 t -112.04 132.17 61.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.077 -175.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.4 164.98 29.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.731 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -99.97 142.67 31.14 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.555 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.65 13.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 111.207 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 132' ' ' LEU . 30.4 p -126.53 -30.39 2.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 175.136 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -82.53 97.19 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.58 -29.99 70.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.066 -174.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -68.48 -31.54 70.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.809 0.338 . . . . 0.0 110.412 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -73.77 -31.2 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.075 177.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.93 -47.95 73.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -68.08 -28.0 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.166 0.508 . . . . 0.0 110.781 178.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.36 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.462 -177.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 29.1 p -55.8 -40.79 73.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 111.521 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.25 98.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 176.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.43 -43.79 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -60.62 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.203 177.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -57.47 -53.92 52.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.754 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.95 -34.26 77.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.963 -176.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -38.32 83.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.924 0.392 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 121' ' ' ILE . 65.5 mt -66.64 -40.18 85.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.896 -178.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.23 -10.35 59.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.064 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -76.96 -45.64 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.172 0.51 . . . . 0.0 110.056 174.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.7 m -89.05 -27.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 -173.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.495 ' CG ' ' HG3' ' A' ' 118' ' ' GLU . 45.7 mttm -103.14 -98.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.274 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.14 -52.63 0.47 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.865 0.866 . . . . 0.0 113.092 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -82.27 7.95 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 111.565 -177.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.495 ' HG3' ' CG ' ' A' ' 115' ' ' LYS . 6.4 mm-40 -82.38 -178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.99 -177.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.73 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 178.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.424 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.2 mmmt -144.25 138.99 28.38 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -178.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 111' ' ' ILE . 36.9 mt -113.08 108.46 53.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.329 -178.167 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 9.4 Cg_endo -89.05 111.28 0.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.599 2.866 . . . . 0.0 112.42 177.629 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.36 121.62 44.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.736 177.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.687 ' HB3' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -106.21 121.84 44.99 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.24 118.15 34.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.287 0.565 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.596 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -111.52 122.93 66.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.88 -175.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.0 109.33 3.68 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.42 162.93 12.54 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.628 -0.336 . . . . 0.0 110.568 -176.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.61 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 10.9 mmtt 72.6 29.47 2.02 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.771 0.669 . . . . 0.0 111.57 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.1 m -63.81 -3.32 2.32 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 178.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.73 -5.53 43.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.313 0.578 . . . . 0.0 110.265 173.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 96' ' ' THR . 84.3 mt -99.6 35.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.075 173.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.78 -22.62 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -91.91 -25.63 18.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -103.62 17.1 24.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.513 -173.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.588 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 40.6 ttp180 -48.55 113.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.789 0.681 . . . . 0.0 111.228 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 21.7 tm0? -88.08 -40.62 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 126.46 28.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.019 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.588 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 69.4 Cg_exo -52.02 116.82 3.03 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.72 2.28 . . . . 0.0 111.81 178.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.9 OUTLIER -69.6 -18.83 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.34 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -60.01 -52.15 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.588 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.442 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.9 pt-20 -70.38 -30.12 66.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.126 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.4 93.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.096 175.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 18.9 mtp180 -60.34 -47.18 87.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.112 172.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 7.7 t -63.42 -17.96 63.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.206 -177.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 51.0 mmtt -79.95 -40.79 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.866 175.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -63.71 -39.86 95.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 109.042 171.375 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 36.7 tt0 -59.62 -43.99 93.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.615 173.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.52 -41.79 81.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.178 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -88.44 -6.21 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.803 -176.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.38 39.55 42.6 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.997 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.477 HG23 ' HB1' ' A' ' 147' ' ' ALA . 31.1 m -121.16 -173.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.189 0.519 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.637 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 1.7 pm0 -95.68 145.73 25.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.462 178.274 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 68.3 t80 -126.82 121.34 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.969 177.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 40.0 t -127.78 135.58 62.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.89 143.71 28.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.349 175.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 16.4 p -131.36 136.34 47.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.2 0.524 . . . . 0.0 110.875 -179.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 m -121.82 100.93 7.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.102 178.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.79 -18.36 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -73.78 -17.28 61.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.214 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.5 p -132.55 -0.83 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -176.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 61.94 30.8 18.17 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.851 0.834 . . . . 0.0 110.212 -178.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.59 128.35 38.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.618 -177.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 68.78 6.71 5.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.333 173.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.69 -37.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 110.807 -177.119 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.83 -29.78 56.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.61 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.46 -43.14 97.19 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -175.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.13 -30.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.642 0.258 . . . . 0.0 111.59 -175.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -75.17 -43.11 54.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.612 0.244 . . . . 0.0 110.725 178.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -64.89 -45.66 85.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.165 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.09 -48.87 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 124' ' ' LEU . 39.7 tp -65.13 -32.84 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 -178.688 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.0 mtm -65.31 -36.35 83.78 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.842 176.786 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 45.8 mmm-85 -70.09 -34.84 73.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.456 177.413 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.632 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.5 mm-40 -56.68 -43.29 80.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 172.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.36 -33.69 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 178.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 74.2 mtt180 -61.82 -50.64 71.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.977 0.418 . . . . 0.0 110.146 177.484 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 19.0 m -60.8 -44.58 96.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.878 -178.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.5 mptt -62.9 -45.38 92.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.412 -178.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.31 -35.89 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.407 179.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.105 -178.855 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 398' ' ' ILE . 6.2 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.6 mt-30 -62.66 -32.85 73.98 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.066 177.088 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -53.2 -55.05 27.35 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.136 0.273 . . . . 0.0 110.635 177.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.84 94.19 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 178.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' B' ' 442' ' ' LYS . 41.8 mm -63.22 -50.2 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.509 178.041 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.2 mttt -60.04 -36.67 77.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.9 mt-10 -58.75 -46.73 86.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.72 -45.53 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.132 178.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' B' ' 443' ' ' LEU . 98.1 mt -55.86 -53.41 38.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.566 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.476 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.9 mmm180 -64.11 -30.58 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 26.8 ttt180 -66.09 -51.38 58.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.137 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.412 ' OE1' HD12 ' B' ' 408' ' ' LEU . 71.3 mm-40 -75.76 -27.29 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -176.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.476 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -59.18 -46.87 87.27 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.84 -44.41 73.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.677 178.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.7 mt -58.51 -50.73 72.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.967 -179.343 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.545 HD11 ' OH ' ' A' ' 82' ' ' TYR . 18.0 tp -66.8 -33.67 76.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.788 178.229 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 57.6 t30 -66.46 -46.28 76.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.114 179.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 9.3 t -59.74 -43.79 94.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.252 -178.197 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' B' ' 428' ' ' ARG . 71.9 mt -60.72 -41.09 94.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.413 175.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.702 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 22.8 m-70 -58.97 -45.74 89.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.729 176.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 76.0 mtm180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.489 0.493 . . . . 0.0 111.524 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.69 -43.77 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.315 0.579 . . . . 0.0 111.139 -176.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 81' ' ' ASN . 10.8 mp -78.56 -24.15 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.513 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.702 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 71.3 mt-30 -55.45 -33.01 63.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 178.561 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.84 0.11 72.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.743 -177.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.95 -13.12 59.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.766 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.2 mt -79.15 115.52 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.954 0.407 . . . . 0.0 110.313 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.678 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -142.99 154.23 43.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 177.29 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.577 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 15.8 t70 -148.21 164.36 34.19 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.748 -177.372 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.1 -34.47 74.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 19.1 t -64.79 -32.38 74.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' B' ' 416' ' ' LEU . 19.4 mmtp -71.96 -53.25 13.64 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.015 0.435 . . . . 0.0 110.523 -175.695 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' B' ' 429' ' ' LEU . 15.4 mt-10 -60.97 -44.64 97.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.119 -172.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.82 -33.02 62.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.916 -177.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.611 ' O ' HG12 ' B' ' 432' ' ' VAL . 28.2 tpt180 -69.6 -34.67 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.043 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.674 HD11 HD22 ' B' ' 416' ' ' LEU . 17.3 mt -55.94 -57.03 13.81 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.335 177.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.668 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 80.9 m95 -64.41 -30.43 71.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.491 179.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 41.7 tt0 -66.5 -55.58 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.481 0.182 . . . . 0.0 111.285 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.9 p -65.07 -32.94 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.549 . . . . 0.0 109.892 177.755 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 28.8 tp60 -54.45 -51.51 64.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.519 176.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -68.74 -27.02 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.373 -177.376 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -72.12 -46.87 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.455 176.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.3 -41.04 79.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.268 179.794 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 11.9 t -74.2 -35.63 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -177.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -63.59 -35.14 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.361 0.601 . . . . 0.0 109.598 176.007 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.933 HD23 ' HD3' ' B' ' 442' ' ' LYS . 84.1 mt -66.45 -34.8 78.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.417 178.191 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.57 -38.88 82.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.923 HH11 ' HG3' ' B' ' 445' ' ' GLU . 6.8 tmm_? -64.45 -47.41 79.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 176.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.933 ' HD3' HD23 ' B' ' 439' ' ' LEU . 48.2 mtpt -58.57 -40.22 82.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.23 -179.225 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' B' ' 402' ' ' ILE . 64.7 tp -60.43 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.987 0.423 . . . . 0.0 111.2 -179.3 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -81.6 -5.96 58.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -178.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.923 ' HG3' HH11 ' B' ' 441' ' ' ARG . 2.1 tm-20 -83.96 -29.67 26.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.238 -178.108 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.011 -177.988 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 177' ' ' ARG . 82.4 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.76 59.38 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.459 0.647 . . . . 0.0 111.209 -177.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.35 115.04 12.01 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.062 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -102.72 114.27 28.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 117.42 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.526 -176.118 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 66' ' ' ILE . 96.3 t -125.38 107.12 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.935 176.701 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' A' ' 89' ' ' PHE . 61.4 mt -98.55 121.57 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 90' ' ' LEU . 89.1 mmm -89.98 104.95 17.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.553 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 90' ' ' LEU . 22.9 m -95.41 162.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -178.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.61 147.44 4.98 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.571 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.512 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 16.3 t -60.47 -44.99 95.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.305 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.73 -88.9 0.99 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.898 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . -175.19 63.13 0.1 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.493 178.29 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 128' ' ' ASN . 21.3 t -55.61 -57.07 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 178.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.51 0.73 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.898 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 56.7 mtpt -85.3 -77.2 0.29 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.614 0.245 . . . . 0.0 111.285 -176.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -74.76 -10.15 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.854 -177.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.53 -48.65 47.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.753 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.1 mt -73.03 -30.97 64.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.42 -175.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' MET . 20.4 p -63.71 -44.12 94.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.245 . . . . 0.0 111.238 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.67 -39.6 94.43 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.317 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.784 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.1 mm-40 -59.35 -40.41 86.29 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-O 121.2 0.524 . . . . 0.0 110.459 177.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -71.17 -17.35 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.546 -178.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' THR . 86.3 mtp -93.76 -47.71 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.143 -0.348 . . . . 0.0 111.819 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 65.5 m-85 -114.9 -11.72 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER 68.25 0.57 2.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.838 0.455 . . . . 0.0 111.32 -173.138 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' HH11 ' A' ' 162' ' ' ARG . 16.1 mm-40 -100.3 161.29 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.383 179.389 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.784 ' HA ' HE22 ' A' ' 33' ' ' GLN . 78.8 t80 -76.65 135.46 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.321 179.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.57 118.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.374 0.607 . . . . 0.0 110.741 -179.041 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.82 -55.12 3.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.661 -177.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.69 113.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -177.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.562 ' HE2' ' HH ' ' A' ' 51' ' ' TYR . 38.9 t80 -172.22 111.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.266 176.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.617 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 41.4 mt-10 -98.69 -56.44 0.17 Allowed Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.322 179.533 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 79.6 Cg_exo -49.57 116.56 2.39 Favored 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.207 2.605 . . . . 0.0 114.782 -171.062 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.84 25.28 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 172.514 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -85.64 -51.33 6.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.449 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -125.42 17.81 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.684 -179.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 172.29 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.129 0.49 . . . . 0.0 111.482 -177.212 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -153.31 156.4 38.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' HH ' ' HE2' ' A' ' 43' ' ' TYR . 85.3 m-85 -112.57 108.21 17.21 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.485 -175.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' B' ' 441' ' ' ARG . 3.8 ptm180 -90.04 106.58 18.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.861 0.839 . . . . 0.0 110.039 176.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -126.16 128.29 47.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.993 -176.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -76.1 130.24 38.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.482 . . . . 0.0 110.174 177.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 62' ' ' VAL . 5.0 m -129.14 141.5 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.499 174.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 5.9 p -122.78 106.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.626 0.727 . . . . 0.0 110.737 -177.249 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -89.69 99.43 12.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.025 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 55.59 5.62 0.15 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 113.415 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.34 -32.42 0.64 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.361 -0.924 . . . . 0.0 113.123 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 11.9 pt-20 -80.29 113.06 18.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.007 0.403 . . . . 0.0 110.937 -178.603 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.88 101.29 8.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 109.985 174.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 55' ' ' VAL . 32.8 m -116.75 -173.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.27 -179.452 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -128.92 150.62 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.311 -179.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.9 tt -106.73 141.24 22.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.52 109.82 19.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -175.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 17' ' ' VAL . 39.0 mm -109.62 127.47 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.386 -171.582 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 134.26 53.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.924 175.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -89.77 -172.72 3.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 p -143.31 141.02 30.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.024 0.44 . . . . 0.0 111.519 -179.067 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.7 124.41 29.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.675 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -85.27 50.56 4.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.215 -176.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.86 163.71 37.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.72 7.68 46.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.849 0.356 . . . . 0.0 111.388 -175.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.4 m-20 -74.46 -69.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.866 172.764 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 80.3 m-85 -78.23 61.58 2.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.457 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -25.55 67.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.559 178.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.671 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.12 -7.17 27.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.535 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.62 -38.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -92.07 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.555 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.86 -48.7 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.317 0.58 . . . . 0.0 111.516 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.5 m-20 -64.58 -35.3 80.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.833 -171.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' B' ' 429' ' ' LEU . 2.4 m-85 -70.1 -29.0 65.85 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.482 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.6 m-30 -58.6 -27.07 64.31 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -175.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 1.8 tmm_? -62.02 -33.78 74.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.552 -172.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 23.3 t -111.92 20.2 17.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.566 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.3 172.14 37.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.35 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -120.68 -78.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.786 0.293 . . . . 0.0 110.355 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.26 18.6 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.038 -178.585 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 18' ' ' ILE . 72.4 m-85 -130.78 134.96 47.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.494 0.188 . . . . 0.0 110.716 -176.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -106.76 114.3 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.039 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.64 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.607 179.01 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.642 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -101.52 131.63 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 111.74 -176.242 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -144.85 172.65 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 p -118.63 157.55 27.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.27 13.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.741 179.17 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.614 HG21 HD13 ' A' ' 132' ' ' LEU . 4.8 p -119.0 -42.15 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 175.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.62 99.43 8.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.014 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.63 -20.98 49.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.035 178.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.54 -39.1 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.144 -178.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 p -67.8 -26.31 66.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.547 177.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -70.36 -32.3 69.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.231 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -67.21 -34.17 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.399 0.619 . . . . 0.0 110.01 174.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.57 -15.75 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.266 -175.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.9 p -58.17 -42.62 86.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.027 0.441 . . . . 0.0 110.499 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.64 84.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.03 -45.86 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 179.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.7 m-85 -58.84 -48.46 81.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -51.99 -51.3 58.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.489 -177.233 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.16 -33.92 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -66.95 -34.03 76.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.998 0.428 . . . . 0.0 110.474 176.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' PHE . 94.1 mt -64.57 -44.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.347 177.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.7 mp -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 111.038 177.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -79.26 -41.55 27.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 177.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.2 m -87.71 -26.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.577 -178.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 114' ' ' VAL . 38.6 mtmt -138.49 120.66 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.539 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.33 115.27 11.49 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.722 -0.391 . . . . 0.0 112.022 -176.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.87 18.81 4.07 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.005 174.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 118' ' ' GLU . 8.2 pt-20 -86.18 -46.73 10.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.595 0.236 . . . . 0.0 111.039 -178.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -135.09 -129.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.772 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 32.5 mmmt -133.36 106.63 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -176.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 111' ' ' ILE . 38.9 mt -93.61 111.39 52.26 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.934 -173.552 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 121' ' ' ILE . 12.2 Cg_endo -91.01 119.84 0.64 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.347 2.698 . . . . 0.0 112.516 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.76 122.88 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.852 177.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.863 HD13 ' HG2' ' A' ' 153' ' ' GLN . 13.9 tp -119.23 123.52 44.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.987 0.422 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.33 117.27 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.762 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.642 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.5 t -105.14 110.12 29.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.614 -176.011 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.26 98.32 2.36 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.498 ' OD1' HG12 ' A' ' 25' ' ' VAL . 7.9 p30 -105.24 -178.83 3.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 64.0 mmtt 63.88 23.7 13.45 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -174.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 95' ' ' ILE . 37.2 t -63.99 -1.22 1.38 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.567 -172.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.81 -18.07 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.429 0.633 . . . . 0.0 110.343 179.201 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.614 HD13 HG21 ' A' ' 96' ' ' THR . 35.1 mt -82.95 79.16 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.107 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.62 -11.99 28.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.568 176.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.935 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.0 pt-20 -98.59 -14.73 19.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.409 -177.291 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 90.0 mtt180 -127.46 16.27 7.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -172.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.606 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 60.8 ttp180 -60.94 113.84 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.368 -176.24 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 11.9 mm-40 -100.45 -22.7 14.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.339 -178.139 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 2.5 p -109.29 116.48 54.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.656 174.526 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 19.6 Cg_endo -59.26 118.84 5.79 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.424 2.083 . . . . 0.0 110.607 174.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -67.54 -8.83 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 -175.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.25 -51.02 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.586 174.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.3 pt-20 -70.83 -27.36 63.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.649 -178.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.28 66.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 177.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -67.53 -33.09 74.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 109.784 177.379 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -59.62 -51.38 70.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.087 176.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -55.9 -41.64 74.79 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 174.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.62 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.469 177.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.77 -29.95 67.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.77 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.65 -45.6 93.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -86.1 -21.21 27.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.532 -178.548 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.64 28.71 10.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.435 179.09 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.4 m -112.36 -177.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.498 0.189 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.863 ' HG2' HD13 ' A' ' 124' ' ' LEU . 14.3 pm0 -106.3 159.52 16.06 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.418 -178.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 46.3 t80 -131.61 124.38 29.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.059 178.498 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.46 128.29 65.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -177.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.36 137.04 32.7 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.265 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 164' ' ' ASN . 31.9 p -143.87 166.9 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.0 111.573 -175.469 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.3 t -143.95 133.23 23.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 173.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.493 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -96.45 -3.24 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.401 175.188 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -87.09 -57.45 2.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.611 -179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.5 p -87.6 -7.79 57.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.669 178.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.437 HH11 ' HA ' ' A' ' 38' ' ' GLU . 85.7 mtm180 60.73 90.0 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.529 178.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -156.03 128.43 7.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.857 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.602 ' OD1' ' HE2' ' A' ' 167' ' ' LYS . 32.8 t30 72.46 9.27 5.76 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.151 0.907 . . . . 0.0 112.131 168.479 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 33' ' ' GLN . 55.4 t -63.84 -33.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.82 -173.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.11 -25.76 62.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.009 -173.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.602 ' HE2' ' OD1' ' A' ' 164' ' ' ASN . 19.9 ttmm -62.46 -52.4 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -174.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.501 HG11 HG13 ' A' ' 126' ' ' VAL . 27.0 m -57.91 -33.41 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.21 -56.65 4.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.926 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -63.55 -33.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.33 -51.18 69.92 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.809 176.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.7 tp -63.29 -41.02 98.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.354 0.597 . . . . 0.0 110.16 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.565 ' SD ' HD12 ' A' ' 64' ' ' ILE . 58.3 mtp -63.7 -33.16 75.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.405 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 10.4 mmm-85 -74.75 -34.71 62.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.126 177.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.27 -35.96 76.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 110.283 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 172' ' ' LEU . 70.4 mt -58.37 -28.23 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.07 178.711 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 70.5 mtt180 -61.42 -52.24 65.41 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.3 m -67.82 -36.88 81.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 -178.022 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.772 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -63.28 -55.86 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.594 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -73.13 -35.4 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtm . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.189 178.781 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.401 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.429 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 53.0 mt-30 -65.76 -29.14 69.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 178.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.67 -50.88 72.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.696 -179.483 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -64.11 -42.07 98.21 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.799 178.082 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.543 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.2 mm -59.11 -49.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.442 0.163 . . . . 0.0 111.328 179.019 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.3 mttt -62.27 -36.0 80.7 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -177.136 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.96 -42.22 94.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.345 176.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 397' ' ' GLY . 26.9 mt-10 -70.69 -31.57 68.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.2 mt -59.05 -50.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.64 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -59.78 -36.62 77.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 176.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 38.3 ttm180 -62.64 -45.9 90.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.533 176.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.523 ' HB2' HD23 ' B' ' 436' ' ' LEU . 34.2 mm-40 -70.2 -38.93 75.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.286 -179.042 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.0 mt-10 -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -57.83 -47.1 83.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.995 176.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.0 mt -59.65 -52.21 66.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' ' 48' ' ' ALA . 14.4 tp -64.76 -43.06 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.982 -179.303 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.433 HD21 ' CZ ' ' B' ' 414' ' ' ARG . 13.7 t30 -57.07 -52.38 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.333 179.367 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.1 t -63.56 -47.84 79.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.486 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.461 ' O ' HD13 ' B' ' 416' ' ' LEU . 77.8 mt -58.31 -37.83 75.86 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.034 0.445 . . . . 0.0 110.804 177.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.11 -48.47 75.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.433 ' CZ ' HD21 ' B' ' 410' ' ' ASN . 96.9 mtt180 -73.63 -40.43 63.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.463 -176.3 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.0 -53.63 54.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.37 0.605 . . . . 0.0 110.531 -177.13 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.754 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.9 mp -69.07 -26.73 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.076 -175.504 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.473 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.2 mt-30 -68.28 -21.38 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 175.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.64 5.25 53.15 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.383 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.7 5.7 62.82 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.411 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.754 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 47.6 mt -116.72 118.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.464 ' CB ' ' HG ' ' B' ' 416' ' ' LEU . 19.6 pttp -143.4 156.24 44.61 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.427 174.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.632 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.4 t70 -139.73 157.5 45.65 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.71 -29.91 70.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.956 0.407 . . . . 0.0 110.914 -176.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -66.53 -32.2 73.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.236 178.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.632 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 54.5 mmtt -73.07 -46.5 51.27 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.275 -176.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 35.1 mt-10 -62.4 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.988 -175.167 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.04 -41.31 67.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.985 -179.108 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 432' ' ' VAL . 5.7 mmt180 -64.01 -30.47 71.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.975 175.543 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 9.0 mt -56.25 -52.65 63.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.403 0.44 . . . . 0.0 110.155 174.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.529 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 65.7 m95 -61.55 -44.6 96.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.268 178.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.464 ' O ' HG13 ' B' ' 435' ' ' ILE . 47.0 mt-10 -60.04 -55.05 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.416 -176.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.672 HG21 ' HB2' ' B' ' 408' ' ' LEU . 11.5 p -62.93 -32.14 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 121.148 0.499 . . . . 0.0 110.457 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.517 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.1 tp60 -54.49 -56.33 19.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.398 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.94 -28.74 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.807 -179.288 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' B' ' 432' ' ' VAL . 82.3 mt -61.65 -45.52 98.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.792 175.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -57.14 -45.4 83.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.833 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.0 t -75.38 -37.5 60.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 -177.015 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.16 -34.87 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.441 0.638 . . . . 0.0 109.713 176.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.518 HD12 ' HB2' ' B' ' 442' ' ' LYS . 38.0 tp -70.33 -32.25 69.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.153 178.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.503 ' HE3' ' CD1' ' B' ' 436' ' ' LEU . 96.4 mttt -59.98 -38.24 81.97 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 109.486 171.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 5.0 tmt_? -64.06 -39.16 93.47 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.548 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.709 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 28.0 mtpp -63.62 -25.19 68.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.815 177.488 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.419 ' HA ' HG21 ' B' ' 398' ' ' ILE . 45.6 tp -67.2 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.176 0.513 . . . . 0.0 109.705 174.09 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -82.86 -3.15 56.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 110.683 175.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.709 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -87.33 -19.13 28.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.769 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.517 -179.866 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--O 1.234 0.251 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.04 6.7 41.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.154 0.502 . . . . 0.0 111.513 -178.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.7 107.07 11.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.742 176.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.689 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 26.6 m-70 -111.35 121.96 46.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -171.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.716 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -104.51 122.3 45.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.825 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.29 131.12 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.125 0.488 . . . . 0.0 110.836 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.39 123.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.469 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 45.6 mtt -91.05 137.85 32.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.821 0.343 . . . . 0.0 110.549 176.118 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.7 157.12 23.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.229 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.57 -179.41 43.33 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t -93.2 68.29 4.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 -177.211 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 78.67 -61.68 3.96 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.877 177.905 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.508 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -96.72 -94.1 1.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.586 -176.777 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 24' ' ' GLY . 11.6 m 56.49 -38.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 126.22 1.808 . . . . 0.0 114.262 -177.158 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.17 10.71 3.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.854 -176.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -65.86 -15.89 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 32' ' ' LEU . 61.3 m -96.1 -25.3 15.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 111.339 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -52.33 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.674 0.273 . . . . 0.0 111.716 -175.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.55 -40.39 94.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.054 -173.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' HG21 ' A' ' 66' ' ' ILE . 20.7 p -68.58 -43.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.629 0.252 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.64 -43.49 98.76 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.879 176.736 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.5 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 89.6 t80 -64.18 -25.89 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.253 -178.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.59 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 66.2 mtm -92.09 -48.77 6.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -83.61 -14.43 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.73 31.8 11.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.86 177.55 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 176.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.53 135.92 36.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.883 -176.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -86.41 132.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.8 -70.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.031 0.443 . . . . 0.0 110.165 -177.524 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.33 107.89 9.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 178.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -154.45 90.93 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.041 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 47.3 mt-10 -87.6 -51.78 0.41 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.145 -177.382 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 78.5 Cg_exo -52.0 112.5 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.35 2.033 . . . . 0.0 112.789 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -152.84 47.83 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.75 175.611 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 78' ' ' ILE . 35.6 ttpt -87.02 -56.7 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.563 -179.156 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.5 16.15 9.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.825 0.821 . . . . 0.0 108.798 174.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -82.21 79.73 8.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.662 -175.115 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -94.69 159.74 14.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.674 178.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -143.26 169.58 17.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 111.709 -175.8 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -123.37 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.298 -173.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 52.8 tptt -125.29 122.74 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -96.54 122.11 39.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.5 m -129.07 144.62 37.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.87 174.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.37 119.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 121.483 0.658 . . . . 0.0 110.279 178.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' A' ' 170' ' ' PHE . 91.0 mt -103.86 101.97 11.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.163 -176.523 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 69.08 -1.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.5 171.023 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.48 -24.78 1.36 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.948 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.12 135.39 44.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 117.352 0.576 . . . . 0.0 110.736 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.89 109.23 16.07 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.129 178.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.82 145.71 14.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.375 -177.499 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.38 129.01 50.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.264 0.554 . . . . 0.0 110.81 -175.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.8 tt -110.94 133.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.512 -177.337 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -103.0 118.19 36.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.342 -175.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 31' ' ' THR . 52.7 mt -109.56 123.0 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.185 0.517 . . . . 0.0 111.698 -171.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.33 117.1 26.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.504 176.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -97.49 108.34 21.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.196 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 78' ' ' ILE . 11.4 p -66.66 135.16 53.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.339 -177.658 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 125.05 24.14 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.794 177.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.697 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.82 76.14 2.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.409 179.75 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -165.11 166.15 19.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.367 0.267 . . . . 0.0 110.346 178.657 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -90.93 -14.49 31.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.995 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.3 m-20 -59.69 -71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 111.401 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.578 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.7 m-85 -85.59 64.81 8.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.655 -176.505 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.85 -18.39 62.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.357 176.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.85 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.05 -20.51 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 175.624 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.723 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 mt -92.51 -36.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -89.61 -65.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -177.407 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.61 -47.18 23.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.307 0.575 . . . . 0.0 111.55 -174.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.85 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.0 m-20 -77.25 -17.25 58.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.673 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.723 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -80.35 -17.12 52.89 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.91 177.063 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -70.65 72.81 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.493 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.49 ' HG3' ' OE1' ' B' ' 426' ' ' GLU . 16.1 mmm180 -148.69 -71.81 0.2 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.77 177.327 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.8 m -78.77 21.74 0.4 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.907 -176.419 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.39 144.6 15.87 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 176.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.716 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 43.8 mm-40 -88.56 -70.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 -177.155 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.9 150.3 16.88 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.662 -173.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -124.01 135.3 53.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.646 HD23 ' HB3' ' A' ' 124' ' ' LEU . 62.3 mt -105.52 115.28 29.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -178.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 125' ' ' VAL . 34.8 mt -89.42 106.5 18.49 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 176.78 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' A' ' 126' ' ' VAL . 15.7 m -116.9 137.73 49.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.056 0.455 . . . . 0.0 111.65 -176.005 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 48.9 p90 -156.18 159.14 38.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.729 178.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.748 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 46.4 t -86.76 144.06 27.24 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.271 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -72.25 7.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.452 -178.775 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 135' ' ' ARG . 17.4 p -98.26 -22.59 16.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.055 171.268 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.748 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 23.4 mm-40 -96.77 94.38 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.429 -174.756 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -79.0 -18.82 53.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.074 0.464 . . . . 0.0 109.993 -179.068 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -64.23 -52.22 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.445 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -24.5 64.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.0 t80 -64.45 -43.48 94.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.596 174.247 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -71.48 -28.15 63.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.372 0.606 . . . . 0.0 109.981 177.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.53 -13.89 61.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.203 -179.176 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.451 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 40.6 p -55.1 -35.52 64.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.812 0.339 . . . . 0.0 111.597 -179.031 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.89 -47.11 86.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.306 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -63.02 -41.1 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.9 m-85 -57.01 -51.12 70.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.432 ' O ' HD13 ' A' ' 112' ' ' LEU . 4.1 ptm180 -68.11 -40.25 82.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.883 -177.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.61 -31.05 69.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 0.0 111.23 -177.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.1 -32.96 71.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.278 0.561 . . . . 0.0 109.669 177.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.7 mt -68.38 -46.76 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.455 175.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 108' ' ' ARG . 11.0 mp -64.12 -16.45 61.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 179.073 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.16 -41.82 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.855 0.36 . . . . 0.0 110.636 176.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.32 -23.39 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.939 0.4 . . . . 0.0 111.456 -176.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -124.33 105.97 9.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.203 178.775 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.33 11.52 1.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 178.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.25 24.6 4.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.596 0.712 . . . . 0.0 109.835 -176.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -175.63 3.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.135 -176.265 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.95 -75.82 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.239 0.543 . . . . 0.0 109.873 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 65.1 mmtt -151.37 131.42 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.744 178.278 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -92.48 107.77 26.29 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 123.287 0.367 . . . . 0.0 110.362 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 31.9 Cg_endo -92.32 126.56 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.271 2.647 . . . . 0.0 112.47 178.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.67 147.24 44.0 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 178.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.646 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.3 tp -135.04 119.13 17.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.072 0.463 . . . . 0.0 109.939 176.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 91' ' ' LEU . 17.8 t -88.62 117.07 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.046 -178.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.0 t -115.28 123.69 71.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.947 -174.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.17 113.35 4.03 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 176.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.546 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.6 m120 -91.82 154.68 18.74 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.775 0.288 . . . . 0.0 110.81 -176.352 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER 64.73 36.15 8.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.547 174.12 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 42.3 p -68.92 11.08 0.22 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.99 0.424 . . . . 0.0 112.018 -176.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 129' ' ' LYS . 39.2 t70 -79.82 -12.69 59.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.705 0.764 . . . . 0.0 109.465 174.508 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 52.1 mt -83.03 52.15 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.94 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.96 -28.27 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.908 0.385 . . . . 0.0 111.144 -177.617 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.42 -6.54 46.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -178.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.5 mtp180 -121.52 2.07 10.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.491 -174.737 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HD2' HG23 ' A' ' 140' ' ' VAL . 34.8 ttp180 -61.7 114.32 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 0.0 111.267 -176.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.42 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 71.8 mm-40 -101.09 -20.25 15.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.664 -179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.5 t -90.94 110.16 40.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.677 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.0 Cg_exo -60.47 103.24 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 121.347 1.364 . . . . 0.0 109.76 174.412 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 136' ' ' ARG . 2.3 t -56.83 -25.56 22.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.424 -172.698 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.18 -43.36 82.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.441 178.04 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.677 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 18.1 pt-20 -74.96 -26.14 59.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -70.06 -39.94 75.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.0 110.508 176.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.19 -32.13 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.319 177.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.1 t -75.78 -29.48 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.925 0.869 . . . . 0.0 108.792 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 13.8 tppt? -65.35 -50.51 65.3 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 114.365 -1.288 . . . . 0.0 110.056 175.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -64.07 -39.8 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 176.828 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.53 -46.74 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.717 177.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.91 -35.21 79.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.755 -177.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 43.0 m0 -81.24 -19.8 42.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.282 -177.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.22 29.45 19.8 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.91 -178.736 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.49 HG23 ' HB1' ' A' ' 147' ' ' ALA . 15.1 m -122.67 -179.41 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.607 0.242 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.425 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.2 pt20 -104.51 147.1 27.98 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -117.28 122.52 44.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 38.3 t -127.14 130.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.433 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.58 132.76 33.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.1 p -115.6 128.16 55.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.31 0.576 . . . . 0.0 111.694 -175.339 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.623 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 5.2 m -103.76 92.03 4.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.447 177.754 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -72.65 5.7 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.293 -174.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -87.76 -12.33 45.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.45 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.0 t -147.36 12.33 1.05 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.571 -179.355 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 60.0 27.38 16.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.745 -178.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -70.28 114.33 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.329 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 71.81 0.29 3.46 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.125 0.89 . . . . 0.0 111.869 179.225 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.77 -46.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.452 -178.45 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.59 -35.3 67.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.213 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -56.13 -50.03 72.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.129 -177.583 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.05 -27.57 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.113 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.7 -45.92 41.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.573 0.225 . . . . 0.0 110.589 176.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.569 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 49.3 m-85 -68.2 -45.09 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.207 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -50.65 69.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.992 178.486 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.05 -38.88 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.242 -178.426 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.569 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 15.7 ptp -67.67 -29.94 69.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.264 -179.153 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 28.3 mmt180 -63.41 -47.74 80.71 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 173.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.6 mm-40 -52.31 -42.67 63.99 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.503 175.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.9 mt -55.93 -37.25 47.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 179.692 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.689 ' HG3' ' HE1' ' A' ' 15' ' ' HIS . 45.3 mtp85 -71.96 -52.47 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 179.46 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.1 m -61.22 -35.06 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.025 -177.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.4 mptt -62.68 -50.11 72.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 176.223 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 73.3 mmtt -67.22 -25.21 65.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 0.0 111.011 -178.724 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 65.5 mtt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.496 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.0 m . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.248 0.547 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -64.94 -25.7 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.66 68.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.756 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.11 94.12 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.71 176.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -61.74 -48.15 90.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.48 0.181 . . . . 0.0 110.677 178.113 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -57.39 -43.73 83.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.085 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.75 -36.35 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.144 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 24.9 mm-40 -80.03 -34.1 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' B' ' 443' ' ' LEU . 87.1 mt -57.74 -52.4 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 174.406 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -66.89 -29.09 68.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.651 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 58.7 ttp85 -62.99 -47.78 81.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.3 mm-40 -69.43 -37.77 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.251 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' B' ' 436' ' ' LEU . 40.8 mt-10 -61.35 -42.12 98.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.385 176.238 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.1 -47.76 78.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.788 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 69.7 mt -59.49 -50.86 72.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.561 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.505 HD13 HG13 ' B' ' 432' ' ' VAL . 56.2 tp -64.41 -34.53 78.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.616 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' B' ' 413' ' ' HIS . 64.6 t30 -67.7 -33.96 75.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.654 178.047 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 47.4 t -59.08 -53.7 55.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.765 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.454 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -60.44 -33.44 72.55 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.225 0.536 . . . . 0.0 110.683 175.456 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 18.2 m170 -69.22 -32.78 72.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.923 -177.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -77.39 -53.23 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.11 -41.28 92.25 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 81' ' ' ASN . 9.3 mp -66.46 -25.51 66.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.517 -174.508 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 76.9 mt-30 -58.82 -21.6 56.76 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.672 0.273 . . . . 0.0 111.614 -178.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.38 -7.19 88.65 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 92.63 40.77 4.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.19 -178.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.1 mt -114.04 121.9 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -179.01 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -120.57 144.07 48.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.654 0.74 . . . . 0.0 111.522 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.662 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.5 t70 -148.78 152.64 36.89 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.275 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -62.26 -26.55 68.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.82 0.736 . . . . 0.0 110.091 176.401 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 9.9 m -66.44 -36.12 82.0 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.518 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.744 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.39 -37.21 71.57 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.473 -174.033 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.744 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.7 pt-20 -73.57 -38.51 65.17 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.311 -177.198 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 49.6 mt-10 -61.17 -51.2 70.05 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.631 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.617 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.6 mmt180 -65.06 -42.53 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.637 -179.109 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 7.1 mt -54.85 -57.32 12.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 123.378 0.424 . . . . 0.0 111.85 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.645 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 71.9 m95 -64.92 -45.05 87.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -175.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' B' ' 435' ' ' ILE . 7.5 mm-40 -60.54 -53.97 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -177.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' B' ' 435' ' ' ILE . 13.8 p -63.63 -34.2 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.008 0.432 . . . . 0.0 110.396 -179.69 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.31 -46.6 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.602 174.314 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.645 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 13.9 mtt180 -70.73 -33.4 70.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.128 178.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.9 mt -65.87 -43.46 93.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.034 176.637 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 35.0 tp -58.22 -45.57 87.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 174.876 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.575 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.386 -177.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.87 -41.92 91.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 172.451 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.648 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.9 mm? -61.63 -40.35 94.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.322 176.184 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 73.1 mmtt -60.22 -41.61 93.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 176.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.06 -43.33 92.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.246 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.5 -35.59 72.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 178.186 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.7 tp -65.74 -40.06 91.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.484 177.489 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -82.34 -6.22 59.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.88 -36.19 11.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 -177.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.582 -179.672 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--O 1.234 0.274 0 N-CA-C 111.53 0.196 . . . . 0.0 111.53 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -95.51 0.42 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 111.468 -179.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.03 109.87 15.56 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.302 0.572 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -118.38 122.05 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.045 -176.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 29.6 mmtp -115.2 113.27 23.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 179.265 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -116.28 100.49 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.646 0.736 . . . . 0.0 110.004 175.244 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.68 126.43 42.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 -175.667 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 29.9 mtt -83.95 115.88 22.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.68 177.28 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.82 138.31 21.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.038 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.84 -174.02 33.19 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -178.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.611 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 28.6 m -119.72 -80.6 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.108 0.454 . . . . 0.0 111.494 -178.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.95 -37.12 0.45 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.163 -175.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 -132.35 7.71 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 -177.57 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t 62.71 -56.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.073 0.949 . . . . 0.0 111.556 -172.068 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -56.12 0.69 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -175.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB ' ' A' ' 92' ' ' VAL . 29.6 mmmt 69.46 -52.66 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.192 1.397 . . . . 0.0 111.784 173.494 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 m -82.45 -19.51 38.78 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.931 -170.575 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.57 -36.37 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.033 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.494 HD11 ' ND2' ' A' ' 128' ' ' ASN . 5.6 mp -74.6 -46.42 38.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -177.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.626 HG21 HG21 ' A' ' 66' ' ' ILE . 26.6 p -70.91 -29.83 66.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -176.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.16 -38.71 84.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 175.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.907 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -64.86 -33.61 76.42 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -179.423 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -72.65 -22.98 60.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -176.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttp -105.05 -46.2 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.92 -177.066 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.561 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 60.6 m-85 -101.11 -35.55 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.259 -178.419 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 72.6 25.39 2.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.007 0.817 . . . . 0.0 110.534 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 11.9 pt-20 -121.7 151.9 39.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.231 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.907 ' HA ' HE22 ' A' ' 33' ' ' GLN . 27.5 t80 -75.54 145.94 40.89 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.225 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.82 116.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.477 0.655 . . . . 0.0 112.155 -173.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.9 -42.44 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.537 173.113 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -158.43 131.01 7.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.268 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -162.54 101.74 1.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.161 178.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.04 -52.25 0.86 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.548 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.05 114.24 1.06 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 178.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 t -163.16 -13.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.416 -174.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -85.57 -56.34 3.55 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 21.91 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.941 -178.604 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.63 97.19 6.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -173.496 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 96.0 p -91.38 162.88 14.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.482 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.01 134.46 36.63 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 -179.578 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 12.7 ptm180 -112.88 118.97 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.206 -176.16 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 64' ' ' ILE . 48.0 tptt -107.57 142.85 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -97.02 116.31 28.99 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.129 176.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.89 146.19 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.625 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.21 133.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.112 0.482 . . . . 0.0 110.986 176.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.39 97.48 5.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 51.3 81.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.223 0.952 . . . . 0.0 111.521 -175.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.87 -129.54 1.89 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.645 179.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 pt-20 -113.33 156.2 23.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -174.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.73 109.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.721 179.221 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLU . 90.8 t -106.77 139.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.188 -179.12 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.16 124.31 52.25 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.77 178.566 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.623 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.9 tt -104.73 112.19 37.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.198 179.634 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 3.4 t70 -106.97 114.38 28.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.452 -177.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.626 HG21 HG21 ' A' ' 31' ' ' THR . 76.7 mt -108.02 121.06 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.804 -170.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 13.1 mt -98.0 105.22 17.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.306 172.263 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.74 100.28 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -88.47 133.36 34.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -166.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.97 117.53 20.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.163 176.434 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.611 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -79.87 54.65 4.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.312 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -106.26 173.43 6.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -177.819 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.49 7.35 32.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.676 0.751 . . . . 0.0 109.001 175.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.56 ' HB2' HD22 ' A' ' 72' ' ' LEU . 4.8 m-20 -82.8 -83.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.892 -178.894 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 417' ' ' GLN . 81.4 m-85 -80.03 81.94 6.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.315 -177.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.46 -20.44 66.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.194 0.521 . . . . 0.0 111.249 178.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.82 -23.1 64.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.313 179.682 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.66 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.7 mt -88.83 -39.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.91 0.386 . . . . 0.0 110.803 -176.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -91.6 -64.65 1.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.083 -177.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.22 -56.84 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.607 -171.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.647 HD22 ' HA ' ' A' ' 77' ' ' ALA . 88.9 m-20 -69.05 -40.47 78.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.414 -171.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 2.5 m-85 -64.19 -27.83 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.29 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 114' ' ' VAL . 14.4 m-30 -62.66 -27.57 69.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.13 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 64.7 ttt180 -60.14 -55.7 30.68 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -172.674 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.619 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 18.6 m -82.41 15.7 2.38 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 111.539 178.157 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.21 153.07 23.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 176.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -98.8 -76.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.817 0.309 . . . . 0.0 110.602 -176.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.675 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.91 155.76 16.28 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.102 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -130.65 129.61 42.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.341 0.591 . . . . 0.0 111.236 -176.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.71 107.1 19.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.092 179.485 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 HD23 ' A' ' 123' ' ' LEU . 74.4 mt -81.87 105.3 12.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.802 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 126' ' ' VAL . 47.9 t -120.86 113.32 39.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.467 -173.09 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 35.4 p90 -127.89 155.54 44.0 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.041 0.838 . . . . 0.0 109.191 179.179 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.437 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 23.1 t -84.64 139.97 31.68 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.821 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -71.57 1.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.004 0.43 . . . . 0.0 111.316 -177.725 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.531 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 14.8 p -107.49 10.25 29.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.361 0.6 . . . . 0.0 110.234 172.874 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 71.5 mt-10 -122.86 93.62 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.829 176.07 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -69.89 -28.33 65.54 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.934 178.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.91 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.221 0.534 . . . . 0.0 110.191 176.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 14.9 m -62.75 -31.41 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.604 178.698 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 46.5 t80 -65.36 -51.75 58.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.128 177.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 m -65.81 -28.88 69.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 110.763 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.63 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.34 -178.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 43.2 p -58.93 -36.67 75.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.757 0.313 . . . . 0.0 111.328 -178.855 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.32 94.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.661 177.317 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 -42.17 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.794 179.484 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.13 -49.46 75.86 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.419 ' HE ' ' HG3' ' A' ' 109' ' ' GLU . 43.0 ttp180 -53.24 -55.57 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.913 178.736 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' HG3' ' HE ' ' A' ' 108' ' ' ARG . 36.2 mt-10 -66.22 -33.04 74.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.116 -175.783 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.99 -32.53 73.82 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.356 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.604 HG22 HD13 ' A' ' 121' ' ' ILE . 92.9 mt -66.34 -45.33 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.66 176.179 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.48 -10.57 59.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 111.116 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -78.06 -34.1 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.96 0.41 . . . . 0.0 110.407 177.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -101.51 -18.82 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.567 -178.222 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 45.5 mtpt -111.47 -126.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 177.744 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.05 1.15 2.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.363 0.665 . . . . 0.0 112.24 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -107.4 -0.42 22.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.272 0.558 . . . . 0.0 110.001 177.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -107.54 -165.21 1.04 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.18 -176.715 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -70.83 -82.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.197 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.532 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.1 mptt -141.67 133.48 27.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -177.159 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.604 HD13 HG22 ' A' ' 111' ' ' ILE . 85.0 mt -96.28 107.96 38.69 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.346 176.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.675 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.7 Cg_endo -84.01 127.27 4.05 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.217 2.611 . . . . 0.0 111.801 177.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 91' ' ' LEU . 6.4 mp -116.15 133.63 55.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.835 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -128.02 118.9 24.35 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 173.613 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.53 122.15 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.703 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.1 t -112.13 121.79 65.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.018 -176.058 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.9 96.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 175.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.494 ' ND2' HD11 ' A' ' 30' ' ' LEU . 18.6 t-20 -82.94 148.89 27.37 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.704 ' HG3' ' HG ' ' A' ' 132' ' ' LEU . 19.4 tptm 73.06 26.79 2.13 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.997 0.811 . . . . 0.0 110.414 174.304 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 156' ' ' GLU . 33.1 t -64.18 -10.14 21.24 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.896 -178.446 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 1.5 p30 -74.07 -2.57 24.96 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.458 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.704 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 95.5 mt -73.43 -55.17 6.72 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 171.044 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 64.49 -72.73 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.986 0.804 . . . . 0.0 112.147 177.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.894 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.9 pt-20 -62.11 -30.2 70.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.041 0.448 . . . . 0.0 111.885 -174.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.894 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 71.1 mtt180 -107.0 14.68 26.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -173.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -59.27 117.28 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.061 0.458 . . . . 0.0 110.436 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 34.2 tt0 -78.9 -37.26 40.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.992 -175.045 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.0 p -108.0 117.73 54.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.637 -177.176 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 124.5 15.69 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.053 1.835 . . . . 0.0 110.572 174.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.658 HG12 ' HG3' ' A' ' 144' ' ' ARG . 11.2 t -55.59 -22.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.286 -176.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.51 -46.3 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.496 -174.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.85 -21.69 60.02 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.836 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -78.28 -41.84 32.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 110.75 178.174 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.658 ' HG3' HG12 ' A' ' 140' ' ' VAL . 56.6 mtp180 -62.71 -38.71 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.4 t -58.03 -50.49 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.703 178.446 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 66.1 mmtt -63.27 -36.38 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.314 -176.063 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.21 87.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.399 175.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.31 -37.61 71.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.04 -34.2 75.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.116 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -88.95 -20.42 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.828 -179.267 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.36 29.4 19.62 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.945 -178.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.3 -175.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.769 0.319 . . . . 0.0 110.794 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.835 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -111.84 159.43 18.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.871 176.737 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.431 ' CE2' HG13 ' A' ' 140' ' ' VAL . 88.4 t80 -133.7 114.98 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.5 127.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.879 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 27.9 mt-10 -87.55 145.77 26.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.979 0.418 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.5 p -119.8 134.38 55.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.393 -176.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.2 m -118.9 94.34 4.41 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.324 175.081 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.23 -19.42 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.66 -174.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.89 -27.54 65.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.147 0.499 . . . . 0.0 110.307 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.0 p -114.81 5.51 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 57.28 28.95 15.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.24 -176.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -84.48 119.53 25.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.632 -177.139 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 69.24 7.02 5.99 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.445 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.17 -51.22 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 110.676 -178.585 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -77.04 -24.78 52.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.826 178.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -59.56 -51.8 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.37 -174.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.87 -26.74 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.152 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.49 -55.4 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.86 177.249 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.4 m-85 -64.07 -39.92 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.192 -176.218 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.5 -52.31 64.09 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.32 0.387 . . . . 0.0 111.778 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.2 tp -72.01 -38.3 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.492 . . . . 0.0 110.251 -178.565 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.623 ' SD ' HD12 ' A' ' 64' ' ' ILE . 38.9 mtp -62.57 -29.96 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.442 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 34.4 mmt180 -63.64 -56.31 16.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.371 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.34 -37.04 69.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.118 -175.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 172' ' ' LEU . 77.7 mt -55.83 -32.6 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.772 -176.709 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -59.98 -39.58 86.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.432 -176.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.9 m -66.11 -30.35 70.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.854 -178.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 176' ' ' ILE . 3.0 mptp? -69.08 -42.7 75.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -69.73 -35.46 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.801 -177.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 176.675 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.462 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.8 m . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.323 0.106 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -56.75 -35.28 68.45 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.518 0.199 . . . . 0.0 111.096 178.807 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.58 -47.72 81.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 175.226 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.8 73.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.994 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.531 ' O ' HG13 ' B' ' 402' ' ' ILE . 21.7 mm -57.53 -46.65 86.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.408 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 98.1 mttt -61.34 -39.23 89.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.46 -179.674 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.7 mt-10 -59.92 -42.66 94.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.282 0.563 . . . . 0.0 109.894 176.568 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.588 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 7.6 tp10 -68.59 -39.15 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.216 178.594 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 398' ' ' ILE . 86.7 mt -56.69 -51.37 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.319 178.285 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.555 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 30.2 mmm180 -60.53 -33.3 72.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.253 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.588 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 46.1 ttt180 -65.57 -51.82 56.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.368 177.049 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' B' ' 436' ' ' LEU . 13.1 mm100 -70.39 -28.01 64.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -177.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.555 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -60.13 -51.37 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.027 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -67.93 -38.48 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 -179.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 36.4 mt -64.37 -50.81 66.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.822 -179.627 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.619 HD13 HG13 ' B' ' 432' ' ' VAL . 48.9 tp -64.6 -34.53 78.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 110.218 177.108 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.1 -41.34 92.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 176.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.5 t -59.78 -54.44 46.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.1 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.502 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.5 mm? -58.37 -33.49 69.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 111.473 178.604 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.4 m-70 -67.52 -35.42 79.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.002 177.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -79.04 -51.8 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 176.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -59.21 -54.55 45.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -173.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.839 HD22 HG13 ' B' ' 420' ' ' ILE . 26.8 mt -68.81 -25.45 64.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.016 0.436 . . . . 0.0 111.119 -177.452 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.635 ' HG3' ' HA ' ' A' ' 75' ' ' TYR . 6.3 tt0 -61.43 -34.73 75.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.013 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.48 5.85 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.273 179.169 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 174.25 122.14 0.66 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.494 -179.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.839 HG13 HD22 ' B' ' 416' ' ' LEU . 1.2 mp -68.06 128.38 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 123.048 0.539 . . . . 0.0 110.889 179.293 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.39 -23.24 15.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.297 0.57 . . . . 0.0 111.161 178.479 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.711 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 7.8 m-20 -147.64 141.56 25.85 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.613 -175.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.528 ' HA ' ' OE2' ' B' ' 426' ' ' GLU . 2.5 pt? -60.23 -27.87 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 110.602 171.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' B' ' 427' ' ' GLU . 46.2 m -61.93 -31.36 71.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.08 178.464 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.711 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 71.9 mmtt -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 109.79 179.475 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 423' ' ' LEU . 26.6 mt-10 -63.95 -45.25 90.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.791 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' B' ' 424' ' ' SER . 33.6 mt-10 -60.51 -46.18 91.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.975 176.296 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.567 ' O ' HG12 ' B' ' 432' ' ' VAL . 1.0 OUTLIER -64.06 -33.51 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.269 178.758 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.502 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.4 OUTLIER -55.11 -51.38 66.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.979 0.419 . . . . 0.0 110.088 178.184 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.786 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 21.2 m95 -66.7 -49.23 66.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.157 177.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 434' ' ' ARG . 6.9 tp10 -59.02 -53.2 61.1 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.614 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.4 p -62.14 -34.48 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 0.0 110.258 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.6 tp60 -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 173.741 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.786 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 1.5 mpp_? -58.72 -39.82 81.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.864 178.013 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' B' ' 432' ' ' VAL . 41.1 mt -65.81 -46.53 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.016 179.167 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.7 -43.81 85.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.681 0.276 . . . . 0.0 110.958 179.358 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 52' ' ' ARG . 10.2 t -74.86 -39.2 61.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.226 -175.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.409 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -66.3 -34.94 79.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.395 0.617 . . . . 0.0 109.846 176.47 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 402' ' ' ILE . 34.1 tp -65.82 -38.42 88.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.778 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -57.4 -42.79 82.91 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 110.028 173.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -45.73 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.994 177.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.537 ' HE3' ' OE2' ' B' ' 445' ' ' GLU . 13.4 mmmm -61.27 -32.17 71.99 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.408 179.378 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.444 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.4 tm? -59.61 -51.28 70.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.125 0.488 . . . . 0.0 110.017 176.465 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.31 -1.41 49.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.275 -178.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.537 ' OE2' ' HE3' ' B' ' 442' ' ' LYS . 24.7 tt0 -98.21 -32.64 11.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.066 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.508 -177.658 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.925 0.393 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.68 8.91 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.313 0.578 . . . . 0.0 111.529 -175.567 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' ' HE2' ' A' ' 16' ' ' LYS . 52.2 tp -131.59 102.0 5.73 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 178.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 96.3 m-70 -100.21 142.74 31.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.175 0.512 . . . . 0.0 111.017 -175.19 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE2' ' HG ' ' A' ' 14' ' ' LEU . 65.1 mmtt -119.78 112.13 18.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.242 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.86 114.78 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.175 0.512 . . . . 0.0 110.227 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.409 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.2 mt -99.12 111.0 27.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.515 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.892 ' HG3' ' HD2' ' A' ' 27' ' ' LYS . 56.4 tpp -82.5 104.09 12.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 -177.031 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -107.52 176.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -175.222 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.22 -179.43 33.0 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.226 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 p -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.447 0.641 . . . . 0.0 110.534 178.508 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.755 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -144.23 -87.39 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 174.22 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 27' ' ' LYS . . . -171.3 42.65 0.18 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.744 175.368 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.5 t -40.76 -65.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 124.537 0.786 . . . . 0.0 112.212 -173.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 11.61 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.326 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 1.069 ' HB3' HG21 ' A' ' 92' ' ' VAL . 53.2 pttt -71.58 -39.15 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.274 -174.687 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.526 ' O ' HD23 ' A' ' 32' ' ' LEU . 16.5 m -72.01 -23.64 61.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.19 0.519 . . . . 0.0 110.219 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 128' ' ' ASN . 95.9 mt -73.86 -41.31 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.589 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 35' ' ' MET . 19.9 p -60.93 -43.73 98.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.73 -176.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 28' ' ' SER . 4.1 mm? -59.11 -28.71 66.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.809 HE22 ' HA ' ' A' ' 39' ' ' PHE . 52.3 mm-40 -66.97 -44.89 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.397 0.617 . . . . 0.0 109.721 178.093 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HE2' HG21 ' A' ' 64' ' ' ILE . 60.6 t80 -73.28 -36.36 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 31' ' ' THR . 92.3 mtp -69.0 -53.09 22.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.161 -177.755 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 77.2 m-85 -103.02 -83.9 0.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.454 177.518 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 15.6 t70 172.31 -36.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.879 0.737 . . . . 0.0 110.008 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -96.62 165.63 12.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 0.0 111.93 -171.117 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.809 ' HA ' HE22 ' A' ' 33' ' ' GLN . 73.9 t80 -76.23 127.19 32.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.773 -176.401 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' TYR . 7.7 p -77.08 133.62 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.386 -178.872 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -119.48 -36.52 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.175 177.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -132.48 94.93 3.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.208 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' HG21 ' A' ' 40' ' ' VAL . 60.3 t80 -170.61 100.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.181 174.713 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.718 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.5 mm-40 -110.38 -41.99 0.11 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.147 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.0 Cg_endo -64.47 84.49 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.56 1.507 . . . . 0.0 113.15 178.459 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 2.7 p -105.84 17.53 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 176.055 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.698 ' HD2' ' CE2' ' A' ' 75' ' ' TYR . 31.8 mtmt -64.97 -57.84 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.979 -170.084 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 21.35 7.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.279 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.15 124.89 46.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.247 -174.593 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 t -131.84 145.92 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.757 178.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -122.77 130.48 52.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -74.94 104.68 5.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.445 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 35' ' ' MET . 50.3 tptt -104.78 126.14 51.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -103.58 129.31 50.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.958 172.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 m -133.24 144.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.032 174.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -120.13 132.44 69.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.151 0.501 . . . . 0.0 109.656 176.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.668 ' HB3' HH21 ' A' ' 174' ' ' ARG . 2.6 tt -129.62 109.24 10.84 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.21 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.81 -16.87 0.17 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.532 1.133 . . . . 0.0 113.343 174.219 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.22 -71.77 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 119.019 -1.562 . . . . 0.0 115.204 -178.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.1 pt-20 -89.36 141.48 28.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 117.462 0.631 . . . . 0.0 112.074 -168.654 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.18 109.45 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.865 174.767 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.404 HG22 ' HG3' ' A' ' 60' ' ' GLU . 1.1 t -106.92 154.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -171.033 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.75 150.87 32.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.256 178.327 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.7 tt -149.25 131.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.113 -177.234 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 1.6 m-20 -99.69 143.65 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.172 175.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.92 113.56 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 -178.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.22 104.36 12.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.199 178.158 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.713 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 20.0 t70 -88.13 96.01 10.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.472 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 p -62.83 135.35 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -175.386 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.96 125.39 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 176.515 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -87.8 58.39 4.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.314 -178.853 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.09 172.19 15.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -80.49 -32.25 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -170.717 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.85 -64.09 0.93 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.263 0.554 . . . . 0.0 111.668 -176.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.698 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 42.6 m-85 -79.95 57.65 2.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -174.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.519 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . . . -59.42 -33.62 71.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.385 175.435 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -57.87 -41.92 83.47 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.948 178.242 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.615 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 46.0 mt -73.88 -17.29 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.818 -176.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 76' ' ' ALA . 85.0 mtm180 -91.96 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.791 177.463 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.63 -55.11 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.216 0.531 . . . . 0.0 111.91 -175.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -68.56 -23.42 64.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.847 -168.241 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 11.4 m-85 -89.98 -13.16 36.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.081 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.3 m-30 -77.52 80.21 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.29 0.566 . . . . 0.0 111.046 -178.749 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' NH2' ' HG ' ' B' ' 423' ' ' LEU . 1.4 mmt85 -135.12 -80.85 0.43 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 m -80.52 32.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 111.118 -177.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.98 126.34 8.89 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.746 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 180' ' ' LYS . 6.1 mm-40 -98.6 -63.81 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 179.353 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.43 119.26 5.32 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.735 -174.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' HB2' HD23 ' A' ' 123' ' ' LEU . 97.1 m-85 -115.34 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.908 0.385 . . . . 0.0 110.013 177.525 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.3 mt -89.79 118.95 29.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.183 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.82 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.069 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.9 m -108.22 143.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.269 0.557 . . . . 0.0 111.886 -175.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.66 152.42 28.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.544 -0.909 . . . . 0.0 108.544 174.17 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.447 ' OG ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 p -92.6 148.98 21.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.194 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.23 8.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.311 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 135' ' ' ARG . 34.2 p -108.32 -31.42 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 174.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' OG ' ' A' ' 94' ' ' SER . 24.9 mm-40 -92.78 91.98 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.191 -178.004 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -69.91 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 -178.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.24 -37.21 86.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.119 0.485 . . . . 0.0 110.62 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.47 -29.46 70.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.201 175.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -74.13 -31.49 62.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.567 178.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -64.5 -39.52 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.568 177.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.09 -15.19 61.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.593 -173.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.677 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.7 p -58.71 -30.52 67.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 111.522 -177.377 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.72 74.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 178.849 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -69.8 -30.89 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -178.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 23.0 m-85 -57.3 -43.34 83.14 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.55 -54.17 50.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.084 0.469 . . . . 0.0 110.323 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.29 -33.57 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.283 -178.758 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -71.43 -33.74 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.378 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.7 mt -71.54 -45.07 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -68.57 -20.45 64.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 178.417 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -59.99 -33.74 72.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.529 177.479 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.1 m -112.65 -20.15 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.522 -177.785 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 14.0 mmmt -106.33 -98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 -178.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.7 -56.88 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.899 0.88 . . . . 0.0 113.311 178.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -83.34 53.92 2.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.005 0.431 . . . . 0.0 111.481 -173.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.2 -169.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.822 -177.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -68.41 0.4 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 171.921 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -154.87 155.66 34.76 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.47 HD13 HG22 ' A' ' 111' ' ' ILE . 61.8 mt -105.49 95.09 9.38 Favored Pre-proline 0 C--N 1.313 -0.984 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.498 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.638 ' HB2' HD11 ' A' ' 172' ' ' LEU . 61.4 Cg_endo -71.99 106.55 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.007 2.471 . . . . 0.0 111.848 -176.191 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 89' ' ' PHE . 94.4 mt -102.23 155.11 18.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.409 -178.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 153' ' ' GLN . 4.0 tp -150.32 118.35 6.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.711 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.7 t -84.11 115.61 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.978 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.858 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -103.69 109.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.609 -175.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.73 99.05 2.16 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 7.5 p30 -100.33 163.71 12.26 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.742 -0.269 . . . . 0.0 110.837 -176.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.624 ' HE2' HD21 ' A' ' 132' ' ' LEU . 19.1 tptm 69.47 17.29 8.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.689 178.605 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 p -63.44 -8.7 9.82 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.195 0.522 . . . . 0.0 111.658 -177.07 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.63 -13.46 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.623 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.731 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.8 mt -67.17 -41.69 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.715 -177.655 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 61.29 -76.87 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.396 0.679 . . . . 0.0 112.467 176.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.35 -24.67 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 111.375 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 69.3 mtt180 -86.63 -1.69 57.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 95' ' ' ILE . 37.3 ttp180 -58.14 113.67 2.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 111.112 -178.229 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -93.23 -28.75 16.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.9 116.69 53.47 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.313 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.14 128.61 26.99 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.163 1.909 . . . . 0.0 111.434 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -54.68 -22.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.161 178.09 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.58 -53.88 52.47 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.483 179.255 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.73 -23.68 61.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.93 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 178.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.4 mtp180 -68.12 -33.26 74.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.087 177.614 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.5 t -55.65 -54.58 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.622 178.151 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 29.3 mmtp -60.27 -37.54 80.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.771 -177.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.19 89.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.989 0.423 . . . . 0.0 110.513 175.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -69.59 -37.47 76.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 178.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 145' ' ' SER . 48.1 mt-10 -65.14 -33.77 76.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -90.45 -29.5 17.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.065 -178.255 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 38.03 3.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.277 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.95 175.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.3 pt20 -96.98 161.97 13.6 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.831 175.366 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.437 ' HE2' HG22 ' A' ' 140' ' ' VAL . 84.3 t80 -130.71 121.31 25.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.645 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.09 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 -177.358 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.46 126.93 34.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.038 176.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.7 p -117.02 130.86 56.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.129 0.49 . . . . 0.0 111.166 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.1 m -123.75 104.15 8.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.199 179.039 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.1 -12.63 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.978 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -72.89 -31.28 64.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.108 179.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 p -113.35 3.3 15.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.258 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 62.82 27.89 16.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -94.64 127.57 40.69 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.11 -173.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 68.38 9.01 7.0 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.306 173.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.03 -49.32 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.041 0.448 . . . . 0.0 110.846 -177.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.3 -22.95 51.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.228 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.21 -48.91 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.837 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.34 -26.9 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.296 . . . . 0.0 111.725 -177.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -75.71 -55.76 5.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.306 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 57' ' ' LEU . 38.4 m-85 -62.47 -40.69 97.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.9 -174.442 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -56.01 -52.44 64.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.905 0.383 . . . . 0.0 110.806 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' PRO . 28.3 tp -71.75 -41.24 68.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.153 -175.694 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.471 ' SD ' HD12 ' A' ' 64' ' ' ILE . 43.0 mtp -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.395 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.668 HH21 ' HB3' ' A' ' 57' ' ' LEU . 13.9 mmt85 -75.68 -39.59 57.27 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.534 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.658 0.266 . . . . 0.0 110.658 178.049 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.663 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.2 mt -55.87 -45.38 79.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.715 178.035 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 181' ' ' MET . 55.7 mtm180 -57.69 -49.75 75.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.219 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -62.87 -35.29 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.192 -178.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.84 -32.29 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.662 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 31.4 mmmt -69.35 -41.39 76.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 59.4 mtt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.854 178.709 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.463 ' O ' HG12 ' B' ' 398' ' ' ILE . 21.2 m . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.95 -27.55 66.89 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -178.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.22 -56.12 21.41 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.291 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.59 90.65 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.905 178.127 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -59.49 -53.95 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.416 0.15 . . . . 0.0 111.122 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.39 -45.62 87.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.376 -177.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.18 -39.4 90.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 27.3 tt0 -71.41 -41.84 69.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.046 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.5 mt -53.43 -52.47 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 O-C-N 123.037 0.211 . . . . 0.0 110.541 176.127 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -58.66 -36.33 73.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.051 -177.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 62.5 ttp180 -67.51 -48.68 66.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.466 177.219 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 15.4 mm100 -67.39 -35.98 80.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.441 -175.409 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.568 ' HG2' HD21 ' B' ' 436' ' ' LEU . 42.7 mt-10 -61.27 -47.69 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.185 175.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -64.38 -41.9 96.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.028 -179.35 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.7 mt -61.19 -51.94 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.634 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.647 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -66.34 -35.27 79.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.828 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.618 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 60.5 t30 -66.72 -54.49 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 178.775 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 40.3 t -59.15 -45.99 89.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.524 -177.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 20.6 mt -52.41 -51.04 61.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.136 178.538 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 4.6 p80 -70.09 -30.5 67.73 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.52 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 19.7 mtm180 -71.56 -52.88 15.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.482 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.47 -46.56 89.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.906 -175.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 81' ' ' ASN . 66.2 mt -63.31 -25.93 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.238 -173.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 64.7 mt-30 -59.99 -21.76 61.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.49 0.186 . . . . 0.0 111.307 179.392 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -7.5 44.75 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.204 -0.522 . . . . 0.0 113.014 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.33 9.66 31.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.875 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 56.8 mt -108.35 124.64 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.29 149.91 37.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.495 0.664 . . . . 0.0 110.967 175.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.6 t70 -148.75 161.0 42.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.498 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.551 ' HG ' ' NH2' ' A' ' 84' ' ' ARG . 9.2 mp -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.752 0.31 . . . . 0.0 111.065 -177.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 t -64.13 -37.42 87.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 33.6 mmtt -69.08 -49.69 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.617 -177.864 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 28.2 mt-10 -59.56 -46.8 87.86 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.329 -175.475 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.86 -35.29 69.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.1 -176.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.635 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.2 mmt180 -65.92 -37.37 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.313 174.781 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.642 HD11 HD12 ' B' ' 416' ' ' LEU . 21.2 mt -55.37 -57.37 12.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.249 0.343 . . . . 0.0 111.269 -179.046 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -64.55 -35.99 82.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.022 179.136 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.654 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 37.4 tt0 -65.07 -55.41 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.677 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.659 ' HA ' HD12 ' B' ' 435' ' ' ILE . 9.0 p -64.77 -31.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.335 . . . . 0.0 110.459 -179.252 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -54.91 -50.76 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.654 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.0 mtp-105 -61.41 -38.72 88.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.653 0.739 . . . . 0.0 109.799 178.614 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' B' ' 432' ' ' VAL . 63.4 mt -66.1 -47.29 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.832 -177.599 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.568 HD21 ' HG2' ' B' ' 406' ' ' GLU . 2.8 tm? -58.62 -44.45 89.97 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.268 -179.796 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.5 t -68.6 -34.47 75.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.384 -176.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.97 -38.56 79.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.111 174.899 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.4 mm? -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.131 177.069 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.27 -38.05 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.402 177.003 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -44.62 90.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.3 mmmm -59.11 -33.62 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.431 178.349 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' B' ' 402' ' ' ILE . 49.5 tp -64.96 -43.88 91.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -82.78 -4.66 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 110.858 177.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.29 -34.67 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.207 179.639 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.731 -179.588 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 177' ' ' ARG . 67.5 mt . . . . . 0 N--CA 1.449 -0.494 0 CA-C-O 120.71 0.29 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -77.14 10.66 2.26 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.346 0.593 . . . . 0.0 111.7 -177.702 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -148.06 132.63 17.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.358 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.465 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 73.6 m-70 -131.03 145.5 52.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.271 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -120.81 115.33 23.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.143 -178.611 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.53 141.47 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 111.695 -179.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.24 129.1 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 177.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.485 ' SD ' HD12 ' A' ' 90' ' ' LEU . 84.6 mmm -93.02 103.4 15.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.734 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.53 157.23 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.764 0.316 . . . . 0.0 110.912 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.39 145.45 4.18 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.709 -178.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 m -60.33 124.37 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.742 0.417 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.413 ' N ' ' HA3' ' A' ' 71' ' ' GLY . . . 60.53 -105.81 0.9 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -173.701 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.794 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -156.58 56.28 0.39 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.523 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.491 ' O ' ' HD3' ' A' ' 129' ' ' LYS . 61.9 t -39.3 -60.41 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.607 0.763 . . . . 0.0 112.942 -176.232 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.69 62.71 0.27 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.918 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.5 pttt -125.1 -42.05 2.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.729 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -64.37 -28.09 69.46 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.52 -46.74 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 128' ' ' ASN . 9.2 mp -66.54 -33.74 76.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.523 -174.225 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 HG21 ' A' ' 66' ' ' ILE . 76.8 p -64.81 -46.03 83.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.701 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.08 -36.95 85.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 97.1 mt-30 -69.89 -27.55 64.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.25 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.62 -33.95 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.816 0.341 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.501 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 4.6 mpp? -95.09 -52.78 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.53 -15.63 17.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -173.201 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 38.7 t70 72.4 7.26 5.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.59 0.709 . . . . 0.0 111.142 177.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.35 146.58 28.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -77.95 144.65 36.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.19 109.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.786 0.803 . . . . 0.0 111.499 -176.654 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -104.61 -39.23 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.062 173.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -151.08 83.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.673 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -162.38 97.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.924 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 mm-40 -113.54 -44.66 0.07 OUTLIER Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.607 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.924 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.6 Cg_endo -42.24 95.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 123.537 2.825 . . . . 0.0 113.753 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.02 82.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.687 175.025 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' O ' HG21 ' A' ' 78' ' ' ILE . 30.7 mmmt -85.95 -60.64 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.654 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.88 5.43 6.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.117 168.876 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.61 108.05 0.16 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.128 -166.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 4.2 m -98.54 121.21 40.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.552 175.717 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HD2' ' HG2' ' A' ' 35' ' ' MET . 14.3 t80 -115.29 136.85 52.67 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 20.3 mtm180 -99.59 124.92 45.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 -178.422 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 53.1 tptt -98.65 127.42 44.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.285 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.17 117.08 23.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.103 0.477 . . . . 0.0 110.866 175.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG23 ' HB ' ' A' ' 62' ' ' VAL . 27.0 m -125.27 175.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.495 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.9 p -143.86 124.24 9.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.143 172.474 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 88.0 mt -113.69 107.58 15.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.13 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 27.7 t70 76.57 -37.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.885 174.587 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.98 -39.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.105 -1.521 . . . . 0.0 114.516 -178.206 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.2 pt-20 -88.07 133.88 33.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 117.687 0.744 . . . . 0.0 110.272 -177.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -75.1 118.43 18.03 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.9 t -106.45 137.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.361 -168.453 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -114.28 152.55 31.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.995 174.023 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 11.8 tt -141.7 126.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.119 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.789 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 6.7 m-20 -86.87 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' A' ' 50' ' ' SER . 22.1 mm -107.74 112.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -98.62 105.01 17.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -92.04 119.73 32.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.4 p -95.43 152.78 18.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 0.0 112.349 -172.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.81 111.51 20.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 170.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 23' ' ' GLY . . . -79.94 69.34 3.09 Favored Glycine 0 C--O 1.228 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.344 -175.115 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -151.5 -179.02 7.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.778 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -93.9 -9.13 38.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.754 0.311 . . . . 0.0 111.548 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -71.88 -66.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.469 -177.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' HB3' HG13 ' A' ' 78' ' ' ILE . 49.1 m-85 -79.04 66.43 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.882 -175.586 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.46 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 111.65 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.14 -6.08 40.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.556 -177.312 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.447 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 10.4 mt -102.27 -32.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.044 0.449 . . . . 0.0 110.806 179.383 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.26 -65.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.832 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.5 -46.45 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.352 0.596 . . . . 0.0 110.969 -171.197 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.1 m-20 -72.35 -16.86 61.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.421 -174.096 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.8 OUTLIER -86.76 -6.96 58.67 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.283 -0.26 . . . . 0.0 111.602 177.761 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.35 16.03 0.39 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.3 -73.32 0.43 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 178.444 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.7 m -80.49 3.92 19.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.02 117.53 6.45 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.072 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 41.4 tt0 -87.87 -73.83 0.47 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.431 0.292 . . . . 0.0 111.011 -174.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.57 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.78 151.95 20.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.184 -179.611 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' HE2' ' HZ3' ' A' ' 115' ' ' LYS . 90.6 m-85 -130.08 127.16 39.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.996 0.427 . . . . 0.0 111.381 -176.174 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.1 mt -107.3 110.84 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.172 176.229 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.34 106.05 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.097 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 113.16 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.332 . . . . 0.0 110.749 -178.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.95 173.74 10.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 46.6 t -113.16 142.88 45.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 -179.629 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.21 9.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.247 0.546 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.725 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 23.3 p -132.59 -46.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.669 177.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 17.3 mt-10 -69.87 90.67 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.627 175.117 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -63.48 -27.15 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.987 -170.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.51 -42.25 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 82.5 p -70.93 -29.72 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -66.47 -43.38 85.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 m -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.176 0.513 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.42 -15.04 62.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.423 -176.545 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.6 p -55.47 -41.89 73.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.688 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.68 98.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.67 -46.28 90.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.24 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.4 m-85 -57.04 -51.42 69.33 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.388 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -58.21 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -177.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.94 -31.83 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.988 -175.141 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.1 -32.13 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 178.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.7 mt -67.96 -47.16 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.484 176.578 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.63 -13.0 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.595 -179.749 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -73.66 -36.24 65.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.959 0.409 . . . . 0.0 110.318 176.524 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.9 m -103.58 -24.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.534 -177.797 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.1 mtpt -117.42 110.4 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.397 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.08 -31.12 3.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.344 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -130.13 25.77 5.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.142 0.496 . . . . 0.0 110.355 -175.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.24 -15.67 35.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.009 -172.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.3 t70 73.18 -52.37 0.71 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.672 0.789 . . . . 0.0 111.517 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HE3' ' HB3' ' A' ' 179' ' ' LYS . 11.9 mptt -80.58 80.95 6.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -176.703 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 115' ' ' LYS . 21.3 mt -130.51 85.37 56.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 170.342 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.57 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 31.0 Cg_endo -97.52 120.83 0.16 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.639 2.892 . . . . 0.0 112.272 175.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 9.2 mp -108.07 130.1 55.11 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.103 0.477 . . . . 0.0 110.59 179.073 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.612 HD13 ' CG ' ' A' ' 153' ' ' GLN . 4.4 tp -124.4 118.57 26.98 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.834 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.1 t -82.21 116.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.871 -177.269 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.62 109.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.629 -175.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.22 101.64 2.75 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.131 175.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.454 HD21 HD11 ' A' ' 30' ' ' LEU . 6.1 t-20 -110.45 -174.9 2.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -177.814 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 25' ' ' VAL . 14.3 mmmm 66.0 29.61 10.06 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.132 0.491 . . . . 0.0 110.144 179.806 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -71.09 16.73 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.354 -177.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.09 -38.45 90.76 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 96' ' ' THR . 6.2 mp -83.6 58.58 4.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.258 175.133 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -72.27 -39.06 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.822 0.344 . . . . 0.0 110.161 -178.627 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -79.64 -30.24 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 110.062 177.339 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.7 mtt180 -94.5 23.56 5.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.983 -175.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.0 112.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.725 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 54.3 tp60 -86.22 -35.48 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.071 -174.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 95' ' ' ILE . 14.8 p -110.58 124.22 33.7 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.963 177.504 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.66 126.21 19.24 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.689 2.259 . . . . 0.0 112.873 -177.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.459 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -62.01 -22.99 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.819 175.817 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.88 -50.77 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.758 177.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.04 -23.66 30.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.076 -179.617 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.37 -48.3 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.069 0.461 . . . . 0.0 110.454 176.5 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 20.8 mtp180 -64.56 -39.45 93.77 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.177 175.63 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.3 t -55.05 -42.11 72.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.352 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.1 mmtt -68.86 -39.29 79.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.477 179.314 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.69 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.37 0.605 . . . . 0.0 110.231 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.35 -31.09 70.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.322 179.115 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.12 -46.27 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.977 178.227 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -79.27 -13.92 59.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.087 -176.054 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.35 32.39 16.67 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 33.8 m -117.83 -178.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.748 0.309 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.612 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -102.46 156.15 17.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 177.937 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 93.2 t80 -126.31 119.65 27.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 177.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 124' ' ' LEU . 87.5 t -125.74 124.86 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -86.02 132.18 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.78 175.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 29.2 p -127.13 130.13 49.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 110.999 -176.282 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 15.0 m -110.73 101.63 10.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.582 178.14 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -173.534 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -76.08 -6.58 51.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.908 0.385 . . . . 0.0 111.248 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.0 p -130.69 -1.4 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.43 . . . . 0.0 110.182 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 66.31 21.58 10.96 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.796 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.54 118.89 19.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.237 -175.689 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 66.69 9.37 6.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.191 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.3 -41.97 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -76.27 -37.65 57.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.121 178.808 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -54.98 -49.5 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.353 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -34.89 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.256 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -75.6 -44.64 41.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 178.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.0 m-85 -69.64 -40.21 76.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.698 -178.118 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.83 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 110.353 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.6 tp -62.54 -43.87 97.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 176' ' ' ILE . 9.7 ptp -66.61 -29.12 69.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.527 -178.22 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 17.3 mmt180 -66.6 -47.61 72.14 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.622 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.495 ' HG3' HE22 ' A' ' 153' ' ' GLN . 5.4 mm-40 -64.48 -30.17 71.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.645 175.336 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.714 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 25.1 mt -56.32 -49.35 77.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 168.863 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.601 ' HG2' HD22 ' A' ' 12' ' ' LEU . 37.5 mtp85 -58.09 -40.19 80.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 175.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 175' ' ' GLU . 12.2 m -55.79 -39.21 70.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 178.296 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.535 ' HB3' ' HE3' ' A' ' 120' ' ' LYS . 13.6 mptt -73.45 -36.65 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.668 0.27 . . . . 0.0 111.307 178.179 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 18.2 mmmt -73.36 -34.68 65.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.434 -177.715 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.3 mtt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.465 179.867 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.446 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.0 m . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 120.787 0.327 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.71 -27.35 68.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.336 -178.618 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.71 24.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.437 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.404 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -66.09 -35.44 90.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.911 -179.839 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 402' ' ' ILE . 28.9 mm -58.48 -47.55 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.144 0.497 . . . . 0.0 110.096 177.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -58.55 -40.21 82.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.431 -179.39 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.404 ' OE2' ' HA2' ' B' ' 397' ' ' GLY . 42.9 mt-10 -60.46 -43.06 97.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.947 179.407 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 439' ' ' LEU . 30.2 mt-10 -81.08 -27.48 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.6 mt -54.73 -53.26 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 170.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -63.31 -30.76 71.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 9.7 ttm-85 -62.27 -50.71 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.288 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.468 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.6 mm-40 -70.65 -31.86 68.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.954 -176.676 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.8 mt-10 -60.01 -44.31 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.425 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -69.22 -44.14 72.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.65 177.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 57.3 mt -59.89 -51.7 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.024 -178.046 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.23 -35.07 79.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.707 0.289 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.5 -43.57 98.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 109.836 176.133 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -60.07 -51.0 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.438 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.559 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.42 -41.95 73.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.697 0.284 . . . . 0.0 111.454 175.577 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.78 -48.88 72.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.981 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.54 -39.31 91.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.662 0.268 . . . . 0.0 111.369 -177.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.88 -48.72 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.2 mp -75.07 -40.36 60.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.284 -178.738 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -69.97 -9.52 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 -179.34 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -84.92 -8.02 83.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 172.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.99 -0.21 24.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.897 176.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.749 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 55.4 mt -112.58 115.74 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.552 -177.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.574 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 28.9 t70 -150.19 171.96 16.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.504 -176.121 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.16 -32.57 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.9 0.381 . . . . 0.0 110.578 178.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 32.8 t -61.5 -31.6 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.334 0.588 . . . . 0.0 109.715 177.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' B' ' 416' ' ' LEU . 59.3 mmtt -72.1 -52.9 14.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.778 -176.24 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.9 -42.99 99.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.472 -174.498 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 41.5 mt-10 -63.94 -43.38 96.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.426 177.498 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.463 ' HA ' ' HG2' ' B' ' 431' ' ' GLU . 16.6 mmt180 -64.23 -35.92 82.41 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.311 177.701 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 28.6 mt -55.82 -53.56 55.27 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.289 -179.356 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.476 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 76.7 m95 -66.38 -41.96 88.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.964 -177.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.506 ' O ' HG13 ' B' ' 435' ' ' ILE . 10.2 pt-20 -72.69 -41.58 65.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.673 -177.159 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.746 ' HA ' HD12 ' B' ' 435' ' ' ILE . 6.8 p -66.3 -35.08 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.424 0.63 . . . . 0.0 110.328 -178.233 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -60.69 -42.35 96.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.309 175.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -57.41 -37.21 72.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.171 176.671 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' B' ' 432' ' ' VAL . 7.5 mt -68.37 -49.01 70.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.855 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' B' ' 405' ' ' GLN . 20.8 tp -58.73 -43.62 90.26 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 177.07 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 434' ' ' ARG . 7.1 t -69.2 -32.98 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -178.144 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.08 -40.59 82.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.853 174.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.68 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -57.04 -45.48 83.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 177.512 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.7 -32.92 74.56 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.337 0.589 . . . . 0.0 110.262 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.14 -46.91 60.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.7 mmmt -58.47 -39.69 80.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.037 178.395 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.453 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.2 tm? -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 -179.605 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -82.65 -2.63 54.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.436 -178.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.46 -51.75 4.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.448 176.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.477 -175.113 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.112 0.482 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.5 5.76 37.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 176.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 tp -112.09 130.71 55.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.339 178.063 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -133.25 139.06 46.74 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.862 -173.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -114.26 114.52 26.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.857 -178.147 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 58.5 t -131.91 128.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -178.384 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 HD12 ' CE2' ' A' ' 89' ' ' PHE . 42.3 mt -110.21 134.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 110.332 175.781 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 31' ' ' THR . 94.9 mmm -91.19 120.11 31.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.53 177.373 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 91' ' ' LEU . 30.9 m -94.77 170.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.583 -173.841 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 27' ' ' LYS . . . 160.06 -177.6 36.46 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.162 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -124.37 -69.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.218 0.532 . . . . 0.0 109.609 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.94 -108.88 1.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.242 176.285 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.89 63.64 2.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.5 -178.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 93.0 t -84.46 -16.09 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.717 0.77 . . . . 0.0 109.804 176.523 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA3' ' NZ ' ' A' ' 129' ' ' LYS . . . 92.15 13.8 57.0 Favored Glycine 0 C--N 1.322 -0.198 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.327 -177.571 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.07 -8.1 54.22 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.368 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t -100.59 -6.0 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 -177.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -73.19 -50.57 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 111.045 177.419 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 165' ' ' VAL . 96.2 mt -63.79 -32.3 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.551 -171.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.461 ' CG2' ' HG3' ' A' ' 19' ' ' MET . 8.2 p -63.77 -55.3 24.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 -177.675 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -35.96 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 179.48 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 86.3 mt-30 -65.53 -52.32 53.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.37 -179.397 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.37 -35.45 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.54 -176.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtm -75.0 -48.58 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.55 -4.47 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.34 33.76 22.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 36.6 tt0 -144.22 151.43 39.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 -179.011 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -75.03 115.5 14.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 176.809 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.12 114.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.267 0.556 . . . . 0.0 111.09 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -86.16 -59.88 2.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.357 174.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -124.69 129.85 51.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -174.84 89.3 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.9 mt-10 -75.88 -53.48 2.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.994 -171.594 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.38 124.19 12.96 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.544 1.496 . . . . 0.0 111.82 177.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.526 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -149.82 39.42 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 171.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 50.5 mtmt -85.48 -46.91 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.353 -177.401 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.63 7.9 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.684 0.754 . . . . 0.0 109.238 176.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.4 m-20 -79.43 80.58 5.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.333 -176.129 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 67' ' ' LEU . 50.2 m -125.35 123.66 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HE1' ' HG3' ' B' ' 440' ' ' LYS . 79.5 m-85 -118.61 149.15 41.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -174.412 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' HB3' ' A' ' 63' ' ' GLN . 43.4 mtp180 -92.24 125.77 37.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.849 -178.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -98.76 126.79 44.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.793 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -95.66 124.16 39.55 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.225 174.823 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.22 144.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.889 175.478 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 60' ' ' GLU . 4.8 p -122.06 115.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.562 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -106.79 99.81 9.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.583 0.706 . . . . 0.0 111.085 -177.866 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 57.9 43.4 21.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.713 -1.13 . . . . 0.0 112.516 177.718 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.08 -55.05 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.798 -1.192 . . . . 0.0 115.119 171.169 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -88.62 131.2 35.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.413 0.607 . . . . 0.0 111.342 -171.36 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.92 111.35 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.167 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.43 143.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.072 -172.881 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HB3' HH21 ' A' ' 52' ' ' ARG . 8.2 mm100 -113.5 117.62 32.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.726 -172.49 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.483 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 15.1 tt -111.28 126.3 68.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 0.0 110.28 175.787 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -110.46 110.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.21 151.6 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-O 121.343 0.592 . . . . 0.0 112.033 -175.692 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 68' ' ' ASP . 19.9 tp -119.77 132.19 55.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.78 174.678 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t0 -98.92 -176.2 3.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 172.311 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -153.32 148.96 27.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.915 -0.491 . . . . 0.0 111.285 -174.443 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB2' ' HG2' ' A' ' 47' ' ' LYS . . . -77.36 140.76 40.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.513 171.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.01 67.49 3.59 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.928 -177.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.9 OUTLIER -155.65 169.89 23.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.508 -177.351 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -100.66 -2.9 31.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.351 0.596 . . . . 0.0 109.707 178.548 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -63.01 -64.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.643 -178.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.53 ' H ' HD13 ' A' ' 72' ' ' LEU . 73.8 m-85 -80.58 72.27 7.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.674 -175.206 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.56 -24.07 67.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.837 176.354 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.917 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -67.06 -18.83 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.564 -179.16 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 47' ' ' LYS . 64.6 mt -92.84 -36.59 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 -178.522 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -85.52 -63.94 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.828 -178.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.83 -55.96 19.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.141 -172.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.917 HD22 ' HA ' ' A' ' 77' ' ' ALA . 57.1 m-80 -65.8 -35.43 80.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.277 -172.156 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' B' ' 409' ' ' LEU . 22.2 m-85 -73.8 -31.08 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.197 -0.314 . . . . 0.0 111.664 -179.797 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.659 ' HB3' HG21 ' A' ' 114' ' ' VAL . 4.3 m-30 -63.37 -24.64 67.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.904 -177.492 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.751 ' HG2' ' HB ' ' A' ' 114' ' ' VAL . 20.3 mtp-105 -68.01 -49.56 60.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 -178.128 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 73.2 m -85.85 21.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 175.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.39 126.1 8.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.356 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 16' ' ' LYS . 45.2 mt-10 -86.14 -74.06 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.63 0.252 . . . . 0.0 111.363 -178.036 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.94 151.45 19.5 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.398 -177.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CE2' HD12 ' A' ' 18' ' ' ILE . 88.9 m-85 -134.62 133.15 39.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.41 . . . . 0.0 111.24 -178.125 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 124' ' ' LEU . 65.2 mt -96.03 113.9 25.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 171.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 20' ' ' VAL . 28.1 tp -89.76 106.02 18.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.468 -176.212 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.863 HG12 ' HB ' ' A' ' 126' ' ' VAL . 21.3 m -119.16 142.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 111.412 -175.293 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.55 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 31.1 p90 -153.51 156.56 38.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.178 177.007 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -88.93 129.78 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.389 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.69 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.37 1.0 2.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.523 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 132' ' ' LEU . 23.7 p -85.93 -40.68 15.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.278 0.561 . . . . 0.0 109.591 174.494 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.92 104.42 16.23 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.635 -179.507 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.298 -175.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.13 -28.75 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 -177.463 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 17.9 m -64.93 -25.85 68.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 178.393 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -74.15 -34.51 63.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.273 178.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -28.38 64.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.556 0.693 . . . . 0.0 109.941 177.265 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.97 60.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.042 -176.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.463 ' HB ' ' HH2' ' A' ' 150' ' ' TRP . 41.7 p -54.2 -45.07 72.1 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.977 0.418 . . . . 0.0 111.232 -179.548 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.03 94.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 176.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.772 179.145 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 111' ' ' ILE . 25.2 m-85 -58.01 -50.95 71.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.416 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 111' ' ' ILE . 57.0 ttt180 -62.5 -46.57 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.035 -177.15 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.0 -35.24 80.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -65.64 -32.24 73.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.285 0.564 . . . . 0.0 109.922 177.321 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.7 mt -65.3 -40.11 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.153 177.746 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.18 -29.7 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 177.242 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -59.47 -31.12 69.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.751 ' HB ' ' HG2' ' A' ' 84' ' ' ARG . 31.9 m -100.06 2.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.648 -179.317 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.898 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.2 mtmm -143.44 -91.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.13 -47.09 0.62 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.927 0.891 . . . . 0.0 112.911 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -88.61 24.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.48 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.898 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 56.4 mm-40 -93.69 173.83 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.19 -179.65 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.15 -74.48 0.09 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.007 179.607 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -143.76 141.82 30.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -119.57 99.7 49.67 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -88.92 125.4 1.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.123 2.548 . . . . 0.0 113.079 -177.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 6.7 mp -117.36 151.82 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 177.183 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.653 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.0 tp -133.92 115.94 15.01 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.235 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.485 HG22 HD23 ' A' ' 91' ' ' LEU . 6.5 t -84.03 118.64 31.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.271 0.557 . . . . 0.0 110.377 -175.458 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.863 ' HB ' HG12 ' A' ' 92' ' ' VAL . 25.6 t -121.57 122.26 66.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.719 -176.492 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.46 111.24 3.52 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 173.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -89.28 145.83 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.14 0.47 . . . . 0.0 111.198 -174.452 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 131' ' ' ASP . 6.4 mppt? 61.5 40.37 13.82 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.126 178.522 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.9 m -72.81 30.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.232 0.539 . . . . 0.0 111.058 174.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 129' ' ' LYS . 28.8 t70 -87.78 -17.58 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.673 -179.459 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -68.37 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.01 178.299 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.09 -57.14 0.61 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.607 0.763 . . . . 0.0 111.966 -177.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -19.32 60.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -173.1 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -104.82 15.09 28.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.552 0.215 . . . . 0.0 111.458 178.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 136' ' ' ARG . 32.7 ttm180 -69.51 112.38 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.468 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.08 -3.15 35.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.2 p -114.24 121.17 36.92 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.433 . . . . 0.0 110.557 176.79 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.71 118.12 4.95 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.354 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -67.2 -19.81 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.606 179.47 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.84 -52.87 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.546 179.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 145' ' ' SER . 2.1 pt-20 -87.3 -18.4 30.26 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.893 178.625 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -62.89 -44.51 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.512 . . . . 0.0 110.165 176.549 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -71.38 -36.16 71.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.919 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 142' ' ' GLU . 23.3 t -60.1 -35.96 76.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.811 176.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -61.33 -38.64 87.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.687 0.28 . . . . 0.0 111.1 176.26 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.73 -44.17 97.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.24 -41.09 92.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.119 175.618 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.88 -40.39 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.246 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.463 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 40.9 m0 -92.63 -7.61 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.687 -175.704 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.55 35.99 21.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.435 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.75 -178.63 2.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.568 0.223 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.653 ' HG3' HD13 ' A' ' 124' ' ' LEU . 9.1 pt20 -103.99 157.63 16.97 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.681 174.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 89.4 t80 -121.57 122.74 40.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.607 176.172 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.55 130.04 72.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.524 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.09 140.28 29.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.6 p -127.95 130.44 48.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.115 0.483 . . . . 0.0 111.641 -174.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 14.0 m -93.81 91.49 6.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.833 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.08 -1.36 12.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.194 -174.084 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -83.83 -18.49 37.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.699 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.0 p -130.75 3.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.29 -178.59 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.402 ' HA ' HG21 ' A' ' 165' ' ' VAL . 73.5 mtp180 62.32 24.25 14.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.559 -176.103 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -71.83 118.94 15.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.996 -178.249 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 163' ' ' ALA . 4.9 m-20 74.22 0.71 3.68 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.947 0.78 . . . . 0.0 111.719 177.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.4 t -68.72 -48.55 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.376 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.85 -34.42 78.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -175.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -52.03 -51.71 55.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.084 -176.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 23.0 m -60.64 -27.37 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.323 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -74.93 -48.53 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 0.0 110.512 178.142 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -67.8 -41.12 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.25 -51.37 66.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.999 -176.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.6 tp -61.64 -35.84 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.554 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.483 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 56.8 mtm -60.88 -30.63 70.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.153 177.905 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -66.45 -42.19 87.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 178.389 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 18.8 mt-10 -66.59 -37.38 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.234 177.813 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 172' ' ' LEU . 71.7 mt -56.81 -34.05 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.852 179.536 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.05 -49.03 76.14 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.3 m -62.45 -38.96 91.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.7 mptt -62.7 -44.49 96.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.914 177.784 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.33 -34.34 74.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.237 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.949 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.429 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 8.8 m . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.232 0.539 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.2 -26.73 68.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.93 -179.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.74 -55.25 31.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.502 -177.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.12 -37.88 93.45 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.275 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 402' ' ' ILE . 29.5 mm -58.19 -50.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.625 0.25 . . . . 0.0 110.869 178.777 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 61.8 mttm -58.66 -45.62 88.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.545 -177.818 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.61 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.099 179.237 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.471 ' HG2' HD21 ' B' ' 439' ' ' LEU . 14.8 tt0 -68.0 -34.02 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.887 0.375 . . . . 0.0 110.158 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.662 ' HA ' HD23 ' B' ' 439' ' ' LEU . 45.5 mt -57.12 -51.44 69.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.346 173.599 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 399' ' ' LYS . 21.3 mmm180 -59.35 -32.97 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.681 -179.467 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.4 ttm180 -65.94 -48.4 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 177.917 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.78 -36.94 73.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.952 -175.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 67.9 mt-10 -61.28 -38.54 87.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -71.5 -43.25 66.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.099 176.591 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 71.0 mt -57.32 -46.47 83.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.306 178.716 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.604 HD11 ' OH ' ' A' ' 82' ' ' TYR . 21.9 tp -71.66 -36.88 70.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.405 -178.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 62.2 t30 -67.78 -43.15 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.951 179.824 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . 0.814 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 10.2 t -62.13 -42.65 99.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.39 -177.74 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.443 ' CB ' HD21 ' B' ' 429' ' ' LEU . 33.1 mt -63.78 -37.61 88.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 110.443 174.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.4 m170 -61.67 -33.18 73.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.811 175.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.814 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 80.3 mtm180 -74.34 -43.49 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.963 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.28 -51.63 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.935 -177.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.542 HD21 ' CG ' ' B' ' 425' ' ' LYS . 62.5 mt -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.755 -177.176 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.4 tt0 -72.43 -12.25 61.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.32 -177.254 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.34 0.45 89.67 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.41 177.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.69 -10.18 45.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.302 177.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 46.1 mt -89.07 143.21 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.537 ' HA ' HD22 ' B' ' 416' ' ' LEU . 0.5 OUTLIER -149.85 149.67 30.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 111.737 175.053 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.617 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 23.9 t70 -148.24 163.08 38.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.396 175.745 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.67 -32.64 71.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.667 0.27 . . . . 0.0 110.98 -177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 16.8 t -64.61 -31.87 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.006 0.431 . . . . 0.0 109.866 178.627 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.6 mmtt -64.06 -54.23 37.36 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.318 0.58 . . . . 0.0 110.879 -176.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.432 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 11.2 pt-20 -64.81 -36.59 84.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.195 -175.12 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.6 mt-10 -65.56 -49.75 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 23.7 mmt180 -61.09 -39.86 91.54 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.62 179.245 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' B' ' 429' ' ' LEU . 9.5 mt -57.29 -42.94 82.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.591 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -67.0 -42.17 85.47 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.291 175.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.582 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 46.0 mt-10 -59.02 -55.44 35.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.306 -178.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.6 t -58.31 -35.41 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.799 -178.331 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 26.0 tp60 -56.73 -58.43 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.288 -178.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.611 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -70.85 -25.32 62.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.988 -178.766 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 432' ' ' VAL . 81.9 mt -62.98 -49.94 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 173.644 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.02 -44.23 82.63 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.12 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.611 HG22 ' HA ' ' B' ' 434' ' ' ARG . 2.4 t -69.82 -40.45 75.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.399 -177.466 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -61.8 -35.44 78.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.5 0.667 . . . . 0.0 109.653 175.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 402' ' ' ILE . 7.4 tp -66.81 -40.27 88.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.834 179.182 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.402 ' HG3' ' HE1' ' A' ' 51' ' ' TYR . 29.7 mmtp -63.85 -33.05 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 177.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -66.43 -44.32 83.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.164 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -58.24 -37.16 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.829 178.043 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.457 ' HB2' HD11 ' B' ' 402' ' ' ILE . 3.2 tm? -62.62 -44.97 94.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.345 178.659 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -82.53 -2.35 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.402 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.28 -35.2 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.016 178.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.075 -176.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.822 0.344 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 12.9 3.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.24 0.543 . . . . 0.0 111.39 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -135.74 115.71 13.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.676 176.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 13.7 m-70 -115.4 152.68 32.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.938 -179.763 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.909 ' HG2' ' HB2' ' A' ' 65' ' ' ASP . 35.0 mtmt -135.82 122.19 20.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.363 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.04 128.73 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.256 0.55 . . . . 0.0 110.145 177.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 HG21 ' CE1' ' A' ' 83' ' ' PHE . 63.6 mt -102.2 124.33 56.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.52 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.516 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 60.7 tpp -88.04 111.82 21.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.14 150.32 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 0.0 111.002 -179.218 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.69 173.0 24.63 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -176.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 p -98.57 -175.29 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.37 0.585 . . . . 0.0 111.045 -178.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.01 35.33 2.75 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.31 -0.472 . . . . 0.0 113.424 -175.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.23 -15.41 1.01 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.676 178.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 t -75.86 -23.8 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.62 31.64 58.38 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.287 -174.198 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HE2' ' HG3' ' A' ' 19' ' ' MET . 11.4 ptmm? -58.11 -23.78 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.462 0.705 . . . . 0.0 112.663 -175.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 m -76.3 -25.77 55.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 178.012 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 159' ' ' ALA . 87.5 mt -74.02 -35.66 64.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.749 -177.71 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.536 ' HA ' ' HZ ' ' A' ' 169' ' ' PHE . 23.7 p -67.57 -54.58 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 7.4 mp -70.56 -14.58 62.56 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.558 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.32 -30.39 68.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.193 177.014 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.97 -26.45 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.1 -178.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.737 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -76.33 -35.03 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.854 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 76.9 m-85 -116.5 4.72 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -168.667 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.0 m-20 71.66 -58.0 0.59 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.646 0.591 . . . . 0.0 110.201 -175.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.11 127.53 52.61 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.704 ' HB3' ' HA ' ' A' ' 33' ' ' GLN . 2.5 t80 -154.95 128.09 8.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.438 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.563 ' HB ' ' O ' ' A' ' 39' ' ' PHE . 5.4 p -176.28 107.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 121.955 0.883 . . . . 0.0 111.131 152.538 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -98.8 12.86 34.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.462 175.145 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 40' ' ' VAL . 1.9 t70 66.04 95.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.196 -173.407 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.67 134.9 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.078 -165.606 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.746 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 8.6 tp10 -126.45 -58.31 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 174.941 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 14.4 Cg_endo -55.9 103.76 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.381 2.054 . . . . 0.0 112.952 -176.67 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.69 79.61 0.64 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.345 179.214 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -88.54 -59.07 2.33 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.858 176.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.92 -31.78 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.722 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.22 149.94 48.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.148 -170.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.5 m -151.92 -177.47 6.16 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.028 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.22 142.09 51.57 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.389 -170.485 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 6.4 tpp180 -78.07 132.42 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.746 176.917 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.737 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.1 tptt -127.8 132.37 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.176 175.363 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.61 131.68 52.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.577 174.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' A' ' 53' ' ' LYS . 26.5 m -140.36 149.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -136.56 110.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.477 0.656 . . . . 0.0 110.492 173.307 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.44 97.4 7.15 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 48.98 81.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.386 -174.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.65 -126.34 1.71 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.986 -1.102 . . . . 0.0 114.23 178.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -113.63 169.07 9.24 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.202 0.201 . . . . 0.0 110.616 -173.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.32 107.82 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.579 -179.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.8 t -106.93 140.5 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.154 -178.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.69 153.16 29.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.962 0.41 . . . . 0.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 17.4 tt -134.82 131.79 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.962 -176.84 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.909 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 20.3 m-20 -90.8 126.69 36.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 176.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.1 mm -108.91 136.03 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.645 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.76 109.21 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.704 0.288 . . . . 0.0 110.343 177.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.95 94.63 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.186 0.517 . . . . 0.0 110.054 176.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -61.07 138.34 58.2 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.291 -176.773 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -64.1 142.78 58.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.342 177.621 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 51.87 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.658 179.061 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HG ' ' HB1' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -132.56 174.59 10.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.863 -0.168 . . . . 0.0 110.732 -178.822 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.96 12.75 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.391 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HB2' HD13 ' A' ' 72' ' ' LEU . 15.7 m-20 -87.16 -76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.333 0.587 . . . . 0.0 112.095 -176.613 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -78.08 79.61 4.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.217 -169.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.42 -17.66 62.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 110.565 174.321 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.842 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.78 -6.86 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.35 179.474 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.712 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 65.6 mt -104.09 -28.88 2.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 178.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -93.21 -64.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.98 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.64 -54.63 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.268 0.556 . . . . 0.0 111.274 -176.351 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.842 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 93.5 m-20 -72.35 -16.96 61.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.444 -172.484 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.883 ' HE2' ' HE1' ' B' ' 413' ' ' HIS . 0.1 OUTLIER -92.52 -25.35 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.883 -176.228 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.613 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -75.49 68.15 2.11 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' NH2' ' HE3' ' B' ' 421' ' ' LYS . 18.9 mmt180 -129.04 -67.45 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -177.672 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -84.22 32.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.395 -178.521 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.85 135.7 12.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.025 -179.058 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.473 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 3.5 mm-40 -84.73 -65.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.847 0.356 . . . . 0.0 110.206 -177.541 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.95 157.15 15.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.247 -175.285 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -123.82 132.49 53.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 111.238 -178.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.7 mt -96.42 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.904 175.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 125' ' ' VAL . 43.7 tp -100.74 106.58 18.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.307 -176.265 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.48 140.08 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.09 0.471 . . . . 0.0 111.612 -174.299 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -140.3 172.75 12.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.709 177.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.4 p -123.6 147.73 47.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.928 0.394 . . . . 0.0 110.66 179.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -81.01 -5.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.981 -175.901 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.602 HG21 HD22 ' A' ' 132' ' ' LEU . 1.1 p -94.78 -44.96 7.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.435 174.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.96 93.26 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.677 178.354 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 46.5 t-80 -60.28 -24.18 64.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 -177.167 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.41 -48.65 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.066 177.162 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.8 p -67.1 -32.38 73.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.368 -175.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.25 -46.16 78.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.672 -179.589 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.1 m -72.71 -28.32 62.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.3 0.572 . . . . 0.0 110.434 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.21 -14.11 60.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.25 -177.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 p -50.37 -47.27 56.28 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.107 0.479 . . . . 0.0 111.403 -179.008 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.09 95.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.561 178.098 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.54 -41.65 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.141 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.473 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.9 m-85 -58.7 -48.13 82.18 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.429 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' ILE . 49.8 ttp180 -62.77 -41.82 99.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.821 -178.584 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.69 -35.32 79.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.179 179.014 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.76 -31.84 71.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.627 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 107' ' ' PHE . 83.2 mt -66.85 -52.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.643 176.294 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.5 mp -70.01 -13.63 62.31 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.984 0.421 . . . . 0.0 111.132 -179.145 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 113' ' ' ARG . 35.7 ttt180 -71.4 -35.61 71.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.182 0.515 . . . . 0.0 110.031 178.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.828 HG23 ' HG3' ' A' ' 115' ' ' LYS . 31.8 m -105.2 -25.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.072 -177.836 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.828 ' HG3' HG23 ' A' ' 114' ' ' VAL . 6.5 mtpm? -129.2 109.08 10.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.361 -179.044 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.95 14.11 0.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.748 0.309 . . . . 0.0 111.543 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -136.11 26.08 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 109.841 -177.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -96.24 -174.08 2.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.369 -175.209 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -72.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.167 172.329 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.735 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 73.9 mmtt -145.0 132.25 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.232 -177.073 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.6 mt -108.7 99.57 34.66 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.721 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 92.3 Cg_endo -84.68 136.39 6.23 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.906 2.404 . . . . 0.0 112.625 -179.551 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.58 149.33 43.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.43 179.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.771 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.5 tp -136.12 114.5 11.69 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.767 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 91' ' ' LEU . 7.4 t -87.04 119.32 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.253 0.549 . . . . 0.0 109.679 -177.879 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.88 136.18 51.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.231 -175.52 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.18 117.8 5.98 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.215 175.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 63.8 t30 -107.78 168.82 9.0 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' HD21 ' A' ' 132' ' ' LEU . 2.7 mptm? 73.0 31.65 1.46 Allowed 'General case' 0 C--O 1.223 -0.306 0 O-C-N 123.678 0.611 . . . . 0.0 111.489 -179.385 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.8 m -71.29 -2.46 16.27 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.83 -0.544 . . . . 0.0 110.366 176.598 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.45 -25.76 63.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.78 -177.059 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -81.52 -53.11 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.545 -177.743 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 66.26 -69.84 0.11 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.548 0.739 . . . . 0.0 112.153 -177.655 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.2 pt-20 -61.46 -27.05 68.29 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.127 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 27.9 mtp180 -92.0 18.05 8.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.517 -174.88 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.597 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -68.24 113.26 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.504 -179.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 36.6 tt0 -91.11 -29.55 17.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.623 -177.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.7 124.21 33.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.776 0.322 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.69 120.18 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.268 1.979 . . . . 0.0 110.895 175.753 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.0 p -71.94 -6.42 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.184 0.516 . . . . 0.0 110.82 -175.214 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.86 -52.78 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.563 176.411 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 11.4 pt-20 -74.86 -21.52 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -178.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.0 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 177.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 21.8 mtp180 -67.42 -39.13 85.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.176 0.513 . . . . 0.0 110.112 177.324 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.4 t -56.37 -34.49 66.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.878 176.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 75.2 mmtt -62.6 -47.94 81.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.816 178.027 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.14 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.28 -42.59 88.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.3 -25.16 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.524 -179.394 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -91.9 -4.34 54.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.187 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.72 41.08 89.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.337 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.42 179.21 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.771 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.83 149.19 24.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.787 176.346 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -127.44 114.95 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.607 174.41 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 168' ' ' VAL . 1.4 p -135.71 142.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.048 178.231 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.21 153.43 22.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 111.718 -176.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.0 p -141.16 166.58 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.508 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.9 m -152.67 116.23 4.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.632 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -86.13 -30.15 22.75 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.487 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.429 ' HD2' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -76.5 -23.03 53.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.933 0.397 . . . . 0.0 110.636 -175.6 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 2.1 p -106.97 -5.46 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.976 174.658 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HG3' ' OE1' ' A' ' 33' ' ' GLN . 6.5 mpt_? 60.16 80.66 0.2 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.474 -179.641 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -150.13 127.53 11.45 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 67.37 5.24 4.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 171.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.491 HG11 ' CB ' ' A' ' 33' ' ' GLN . 18.2 t -69.09 -37.1 76.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 111.079 -175.473 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -72.04 -29.77 64.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.37 -48.08 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.289 -177.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.416 HG12 HG13 ' A' ' 155' ' ' VAL . 35.5 m -69.97 -29.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.683 -175.671 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' A' ' 31' ' ' THR . 29.7 m-85 -70.38 -55.91 7.94 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.64 178.672 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.2 m-85 -61.12 -34.68 75.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.24 -178.122 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.9 -51.96 67.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 -178.22 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 176' ' ' ILE . 41.3 tp -69.47 -34.66 74.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.18 0.515 . . . . 0.0 110.246 179.181 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.6 mtp -61.05 -32.25 71.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 178.165 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 27.4 mmt180 -68.41 -43.08 77.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.606 175.935 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.0 mt-10 -60.69 -34.68 74.71 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.392 0.433 . . . . 0.0 111.499 179.078 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 172' ' ' LEU . 72.5 mt -55.88 -32.43 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.391 -178.632 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.9 m -65.84 -34.5 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.712 -178.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.735 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.7 mptt -68.84 -42.28 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -179.388 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -75.02 -29.94 60.95 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm . . . . . 0 C--N 1.328 -0.349 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.795 177.975 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.971 0.415 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -62.53 -29.9 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.006 -178.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.73 -54.61 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.24 -37.1 92.63 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.136 -179.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.424 ' O ' HG13 ' B' ' 402' ' ' ILE . 42.7 mm -58.18 -50.5 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 110.113 177.457 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 402' ' ' ILE . 60.1 mttm -61.31 -34.77 75.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.383 -178.89 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 43.0 mt-10 -61.55 -48.64 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.881 178.387 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' B' ' 404' ' ' ARG . 18.8 mt-10 -68.49 -32.46 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 88.3 mt -57.17 -52.95 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.55 -38.0 71.3 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 178.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.463 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 34.6 ttm180 -62.72 -44.81 95.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.855 -178.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.481 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.2 mm-40 -75.85 -31.3 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.327 -178.376 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.1 mt-10 -60.37 -41.7 94.28 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.154 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.12 -52.34 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.402 176.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HB2' HG21 ' B' ' 432' ' ' VAL . 93.5 mt -58.2 -48.31 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.693 179.642 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.454 ' HG ' ' NE2' ' B' ' 413' ' ' HIS . 18.9 tp -61.63 -45.96 91.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.168 -179.414 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -56.2 -44.4 79.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.086 179.517 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 17.6 t -60.77 -54.73 41.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.265 -178.591 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.592 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -57.86 -31.91 67.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.862 0.363 . . . . 0.0 111.374 178.615 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.883 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 10.9 m-70 -69.45 -46.58 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.855 176.27 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -70.73 -52.93 17.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.84 -40.67 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 111.491 -175.24 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -74.17 -25.87 59.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.916 -177.548 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.15 -20.52 65.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 176.188 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.04 -3.78 70.03 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.251 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.51 -0.38 59.72 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.07 178.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 45.3 mt -97.5 116.42 39.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.415 ' HE3' ' NH2' ' A' ' 84' ' ' ARG . 25.5 pttm -138.45 153.1 48.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.292 0.568 . . . . 0.0 110.263 177.445 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.03 163.31 37.27 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.8 mp -63.68 -29.24 70.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.8 -178.004 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.8 t -65.42 -34.97 79.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 44.3 mmtt -73.35 -47.36 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 -177.228 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 32.6 mt-10 -61.78 -47.75 83.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.957 -175.199 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.72 -36.01 82.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 175.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.531 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 tpt180 -66.53 -39.99 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.474 179.036 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.39 -53.17 60.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.48 179.358 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -64.9 -34.09 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.88 0.372 . . . . 0.0 110.794 178.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.662 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 37.2 tt0 -67.83 -56.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.035 -175.174 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.68 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.2 p -64.41 -33.96 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.289 0.566 . . . . 0.0 110.013 -178.85 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.83 -51.38 67.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.805 177.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.672 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.3 OUTLIER -70.85 -26.82 63.44 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.132 -175.314 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' B' ' 432' ' ' VAL . 33.6 mt -69.69 -47.11 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.242 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -58.53 -43.91 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.697 178.698 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.672 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.4 t -73.23 -30.23 63.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.656 0.265 . . . . 0.0 111.177 -177.007 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.15 -38.26 85.21 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 174.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.6 -34.34 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.289 175.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 35.2 mmtp -61.74 -41.48 97.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.276 0.56 . . . . 0.0 110.049 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.6 tmt_? -67.09 -42.43 84.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.376 178.806 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -58.67 -34.68 71.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.045 176.487 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.64 87.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.781 178.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' B' ' 444' ' ' ARG . 37.3 mtt180 -81.64 -1.94 48.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.687 178.714 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -85.97 -33.26 21.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.224 0.535 . . . . 0.0 109.752 174.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.831 -179.984 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.82 0.819 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.22 20.75 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.366 -174.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.0 tp -123.0 101.86 7.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.023 0.44 . . . . 0.0 109.858 177.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -112.99 133.88 54.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -171.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.777 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -96.88 125.32 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.501 0.191 . . . . 0.0 110.822 177.775 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.68 110.24 25.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.57 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -101.97 118.45 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.553 -178.017 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.691 ' HG2' HD12 ' A' ' 90' ' ' LEU . 86.4 mtp -89.94 122.92 33.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.694 178.763 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 92' ' ' VAL . 34.8 m -117.54 152.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 -176.723 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.15 167.67 40.67 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 14.8 t -58.92 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.9 0.35 . . . . 0.0 110.55 -177.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -122.26 24.46 6.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.033 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 65.57 44.29 93.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.764 -179.661 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.73 -64.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.19 33.51 2.68 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.268 -177.207 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.786 ' HG2' HG21 ' A' ' 92' ' ' VAL . 4.8 mtmp? -79.16 -21.98 45.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 110.604 -176.568 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 m -92.71 -17.88 23.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.21 -54.62 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.399 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 159' ' ' ALA . 93.1 mt -64.82 -35.66 81.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -177.082 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' MET . 2.5 p -70.46 -37.14 74.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.382 -178.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HG ' HG22 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -60.38 -43.96 96.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 109.928 176.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.699 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -62.6 -37.26 85.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.953 177.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.573 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 36.0 t80 -72.36 -12.43 61.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.021 -178.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' THR . 89.1 mtp -97.39 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.705 0.288 . . . . 0.0 111.699 -178.364 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 97.6 m-85 -118.88 2.5 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.684 -174.172 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 62.71 18.2 10.42 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.447 0.467 . . . . 0.0 111.722 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 12.0 pt-20 -106.14 155.78 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.549 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.699 ' HA ' HE22 ' A' ' 33' ' ' GLN . 54.0 t80 -80.03 148.33 31.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HG ' ' A' ' 32' ' ' LEU . 33.5 t -69.94 108.09 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.175 -177.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.22 -65.84 0.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 172.578 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -148.94 110.03 4.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.807 0.813 . . . . 0.0 110.061 172.244 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -160.32 91.5 0.93 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.844 176.074 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.7 mm-40 -90.39 -34.58 0.38 Allowed Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.074 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 75.1 Cg_exo -43.71 94.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.479 2.12 . . . . 0.0 113.925 177.575 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.4 p -154.72 22.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.271 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.08 -55.87 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.694 -175.221 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 26.91 6.73 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 171.299 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.01 93.79 4.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.984 -170.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -97.8 171.12 8.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -148.27 150.48 33.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.899 0.381 . . . . 0.0 110.629 177.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -95.2 105.97 17.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.125 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 58.8 tptt -101.41 123.9 46.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.113 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 1.1 tmmt? -107.57 120.36 41.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.008 178.218 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 m -127.64 143.8 39.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.908 -179.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.9 p -98.57 102.4 13.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.944 0.878 . . . . 0.0 109.967 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.87 99.74 11.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.029 -177.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 49.97 70.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.93 -51.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 114.277 172.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.08 135.43 37.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 117.531 0.665 . . . . 0.0 111.279 -173.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 45.1 mt-10 -82.69 108.13 15.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.706 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.99 151.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.666 -172.452 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -114.11 139.4 49.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.184 0.516 . . . . 0.0 110.116 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.75 130.01 68.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.67 -176.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 6.5 m-20 -87.73 117.46 26.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.379 178.598 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.26 121.8 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.323 177.336 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -121.3 103.91 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.776 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.6 t0 -85.11 91.33 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.289 -176.751 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 79' ' ' ARG . 34.9 p -60.02 153.04 22.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.568 -176.76 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.01 153.15 27.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.08 175.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.537 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -99.08 54.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.124 -178.76 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -160.11 152.22 20.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 110.847 179.408 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.65 -13.13 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.507 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -54.11 -64.14 0.92 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 110.264 175.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.592 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.5 m-85 -93.49 55.76 2.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.351 179.397 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -18.39 62.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.916 178.06 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.73 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -72.12 -7.42 48.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.381 176.802 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG12 ' CE1' ' B' ' 413' ' ' HIS . 78.4 mt -100.47 -41.86 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.225 0.536 . . . . 0.0 110.121 176.243 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HA ' HG22 ' A' ' 69' ' ' THR . 34.0 ttp180 -91.58 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.785 -173.676 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.01 -42.85 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.517 -166.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.73 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -67.42 -42.33 83.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 111.836 -175.151 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.458 ' OH ' HD21 ' B' ' 409' ' ' LEU . 28.7 m-85 -62.53 -15.73 52.12 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.611 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -59.01 -28.28 66.25 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.53 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.461 ' NH2' ' HA ' ' A' ' 81' ' ' ASN . 1.9 mpp_? -53.72 -52.26 60.69 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.281 0.363 . . . . 0.0 111.904 -175.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.536 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 15.0 m -93.84 21.52 6.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -178.528 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.88 143.13 17.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.603 -179.094 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 50.6 mm-40 -88.96 -75.63 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.27 157.19 15.18 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.325 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.54 132.21 48.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.049 0.452 . . . . 0.0 111.291 -174.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 19' ' ' MET . 82.6 mt -99.88 105.7 17.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 178.239 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.7 106.67 12.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.836 HG12 ' HB ' ' A' ' 126' ' ' VAL . 32.8 m -107.21 134.3 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.226 0.536 . . . . 0.0 111.314 -177.77 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -143.81 150.53 38.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 97' ' ' GLU . 3.2 p -100.95 148.57 24.85 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.751 177.399 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.57 -7.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.584 -178.314 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.502 ' CG2' HD22 ' A' ' 132' ' ' LEU . 1.6 p -94.97 -45.96 7.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.068 175.551 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 2.1 mp0 -81.44 91.55 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.006 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -65.2 -30.51 71.42 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.458 -172.255 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.83 -19.38 63.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 111.081 -175.445 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.508 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.8 m -66.11 -30.26 70.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.946 0.403 . . . . 0.0 110.739 178.205 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.649 ' HZ ' ' HG3' ' A' ' 146' ' ' LYS . 69.2 t80 -74.44 -24.53 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.312 0.577 . . . . 0.0 110.431 -179.235 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -37.66 62.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.295 0.569 . . . . 0.0 109.59 176.264 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.39 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.229 -179.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.743 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 12.4 p -59.33 -28.48 66.86 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.045 0.45 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -48.64 68.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 178.296 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.8 -25.11 61.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.57 -179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.743 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-30 -55.82 -38.15 69.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.134 -177.726 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 150' ' ' TRP . 74.9 mtp180 -53.31 -59.1 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.394 178.201 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.99 -32.13 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.638 -177.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.69 -34.64 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.901 0.382 . . . . 0.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.9 mt -72.98 -39.94 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 177.096 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.54 -15.16 63.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -76.17 -32.3 58.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 176.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.0 m -100.35 -28.1 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.356 -179.062 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 32.0 mtmt -129.38 110.58 12.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 177.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.67 1.65 1.18 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.44 173.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.01 23.23 6.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.011 0.434 . . . . 0.0 110.745 -177.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.602 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -109.39 -168.09 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.652 -177.794 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.5 m-20 -63.99 -72.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.944 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 56.9 mmtt -159.27 150.59 20.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.662 0.267 . . . . 0.0 110.512 -179.654 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.9 mt -114.4 101.85 54.45 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -176.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 132.77 4.69 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.998 2.465 . . . . 0.0 112.174 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' HG11 ' A' ' 152' ' ' VAL . 6.1 mp -127.5 150.42 49.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.33 178.742 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.834 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.4 tp -144.54 122.47 12.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.465 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -90.15 118.87 36.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.229 0.537 . . . . 0.0 109.715 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.836 ' HB ' HG12 ' A' ' 92' ' ' VAL . 40.2 t -109.15 112.81 42.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.835 -174.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.78 115.25 4.31 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 175.598 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.3 173.6 6.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.044 0.422 . . . . 0.0 111.551 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.2 OUTLIER 74.14 26.56 1.65 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.884 178.224 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 m -72.52 36.22 0.07 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.294 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.9 t70 -103.47 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.303 0.573 . . . . 0.0 110.222 178.517 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.546 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -71.3 -50.61 30.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.227 -179.28 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 66.84 -72.43 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.375 0.67 . . . . 0.0 112.211 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.8 17.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.19 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HB2' HD13 ' A' ' 132' ' ' LEU . 63.7 mtp180 -124.07 14.92 9.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.855 0.359 . . . . 0.0 110.344 176.642 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.601 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 20.8 ttm180 -67.4 113.14 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 0.0 110.145 -179.066 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -87.55 -33.64 18.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.064 -175.658 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.48 129.36 24.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -176.802 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.452 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 11.5 Cg_endo -56.37 110.43 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.676 2.251 . . . . 0.0 111.024 174.232 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.0 OUTLIER -73.09 -16.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.879 0.371 . . . . 0.0 111.026 -173.197 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -49.24 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 177.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.452 ' HG2' ' HG2' ' A' ' 139' ' ' PRO . 0.1 OUTLIER -69.11 -26.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.337 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.09 88.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.415 175.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.3 mtp180 -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 174.608 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 t -61.69 -39.19 90.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.431 177.861 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.649 ' HG3' ' HZ ' ' A' ' 101' ' ' PHE . 45.0 mmtm -58.6 -53.13 61.77 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 176.287 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.12 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.707 -178.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.14 -39.88 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.55 -39.51 88.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.212 0.529 . . . . 0.0 110.553 178.465 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.457 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 40.3 m0 -71.98 -12.64 61.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 -179.681 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.56 30.17 41.23 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.938 -178.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 123' ' ' LEU . 35.2 m -127.57 179.57 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 121.078 0.466 . . . . 0.0 111.294 -177.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.834 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -106.16 151.89 24.16 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.818 176.632 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -120.28 127.03 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.861 174.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -126.94 134.97 64.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -178.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.57 124.07 31.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.783 174.105 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.0 p -126.72 136.26 52.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.373 0.606 . . . . 0.0 111.961 -175.011 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m -123.83 105.38 9.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.194 176.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -79.48 -3.71 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.237 0.541 . . . . 0.0 110.291 179.552 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -77.89 -44.31 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.833 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.0 t -107.17 7.65 29.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 59.41 57.75 3.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.43 125.56 49.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.359 -177.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 70.37 15.09 7.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.1 0.875 . . . . 0.0 112.036 175.332 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 33' ' ' GLN . 56.5 t -67.23 -45.81 85.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.942 0.401 . . . . 0.0 110.255 178.738 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.56 -43.54 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.594 -179.486 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -46.96 -56.48 6.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.289 -177.178 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.58 -32.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -172.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -75.23 -51.36 13.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.348 179.756 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.544 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 44.1 m-85 -69.58 -37.49 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.673 -175.752 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.79 -45.48 92.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.517 -177.598 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.94 -42.55 66.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.454 -178.519 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.544 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 17.7 ptp -64.29 -28.78 69.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.723 -176.748 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -59.1 -51.13 71.36 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.535 177.331 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.628 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.2 mm-40 -54.03 -37.32 63.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.421 178.773 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 173' ' ' MET . 67.0 mt -56.28 -29.44 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.447 -177.677 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -66.74 -53.4 33.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.9 m -64.79 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.828 -176.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.944 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 11.3 mptt -59.23 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.66 177.576 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 12' ' ' LEU . 66.8 mttm -75.17 -32.67 61.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.883 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.5 mtt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.96 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.704 ' O ' HG12 ' B' ' 398' ' ' ILE . 34.3 m . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 110.639 -0.134 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.28 -38.87 69.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.037 0.446 . . . . 0.0 110.62 -178.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.14 -52.79 64.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.687 175.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.45 91.86 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 394' ' ' THR . 45.6 mm -58.27 -49.72 80.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 178.14 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -59.33 -38.85 81.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.196 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.87 -39.64 83.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.928 178.03 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' B' ' 439' ' ' LEU . 50.6 mt-10 -65.62 -43.37 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.853 176.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.664 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.4 mt -55.72 -53.14 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.303 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -54.84 -41.22 70.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 178.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 71.0 ttt180 -59.88 -52.03 67.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.707 178.163 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.1 mm-40 -70.54 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.73 -176.082 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' B' ' 436' ' ' LEU . 44.0 mt-10 -60.12 -47.96 83.73 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.67 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.77 -42.53 85.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 96.0 mt -58.74 -47.91 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 110.452 178.32 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.621 HD23 HG13 ' B' ' 432' ' ' VAL . 3.2 tm? -72.41 -36.89 68.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.446 -179.037 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 177.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 26.6 t -59.71 -49.65 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.042 178.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 70.3 mt -58.51 -40.52 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 110.539 176.097 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.423 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.1 m170 -62.79 -45.54 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.777 -179.497 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -76.94 -30.12 55.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.17 -53.47 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.24 0.543 . . . . 0.0 110.984 178.443 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.592 HD12 HD11 ' B' ' 429' ' ' LEU . 70.3 mt -68.5 -25.95 65.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.624 -176.142 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.97 -17.0 62.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.639 179.336 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.17 12.47 62.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.115 178.291 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.52 -31.72 7.78 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 50.4 mt -58.19 137.6 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.824 0.45 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.481 ' HA ' HD22 ' B' ' 416' ' ' LEU . 8.8 ptpp? -159.98 149.62 18.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.278 0.561 . . . . 0.0 111.161 174.431 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.7 t70 -150.41 159.15 44.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.035 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.451 HD23 ' H ' ' B' ' 423' ' ' LEU . 2.6 pt? -64.1 -29.26 70.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.245 -179.834 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.7 m -64.78 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.178 0.513 . . . . 0.0 110.269 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 31.6 mmtt -69.37 -53.32 20.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.094 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.66 -46.3 84.43 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.188 -174.463 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.91 -41.22 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.908 -178.307 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.538 ' O ' HG12 ' B' ' 432' ' ' VAL . 26.0 tpt180 -70.7 -31.63 68.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.35 -179.386 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.592 HD11 HD12 ' B' ' 416' ' ' LEU . 14.4 mt -55.81 -56.41 20.91 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.053 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.61 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 53.8 m95 -61.43 -41.79 97.74 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.43 0.456 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 28.2 mm-40 -64.22 -56.44 14.62 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.621 HG13 HD23 ' B' ' 409' ' ' LEU . 14.8 p -62.1 -34.29 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.271 0.558 . . . . 0.0 109.945 -178.685 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -57.31 -53.37 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.042 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.748 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.94 -26.68 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.023 -178.426 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.0 mt -65.91 -45.93 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.6 tp -58.1 -42.67 86.19 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 175.752 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.748 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -73.56 -31.14 63.47 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.517 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.84 -36.45 83.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 173.327 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.985 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -63.23 -38.29 90.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.946 176.019 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.92 -34.06 76.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.027 177.089 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.97 -46.45 81.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.985 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.2 mtpt -59.06 -36.11 74.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 178.156 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -66.26 -41.69 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.458 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -82.08 -5.18 58.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.111 0.481 . . . . 0.0 110.568 178.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.49 -34.72 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.179 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.798 -178.08 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.976 0.417 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.55 10.91 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.567 0.699 . . . . 0.0 110.532 177.863 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -139.14 129.91 26.14 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.013 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -129.31 152.45 48.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.905 0.383 . . . . 0.0 111.05 -175.598 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -122.02 109.01 14.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.3 177.639 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.55 119.24 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.143 179.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 83' ' ' PHE . 62.5 mt -115.02 131.62 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.3 mtt -92.66 117.38 29.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.082 0.468 . . . . 0.0 110.107 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.95 133.25 40.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.776 -178.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.07 157.4 29.62 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 p -72.98 -82.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.174 -176.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.74 -74.26 1.25 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.69 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.49 66.11 0.32 Allowed Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.668 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.747 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.5 t -83.41 49.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.217 0.532 . . . . 0.0 110.456 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.13 15.76 74.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.632 179.482 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' HG21 ' A' ' 92' ' ' VAL . 59.4 pttt -76.06 15.02 0.6 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.681 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -130.28 -14.23 3.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.799 173.06 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 40' ' ' VAL . . . -72.83 -55.49 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.662 -174.169 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.02 -36.63 80.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.401 -174.281 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -64.7 -40.85 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.716 179.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' VAL . 22.4 tp -64.78 -42.45 95.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 86.2 mt-30 -65.39 -35.94 82.46 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 177.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.19 -39.11 68.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 179.029 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.515 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 60.2 mtm -83.15 -50.74 8.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.106 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 80.8 m-85 -105.54 -3.05 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 21.8 t70 74.91 -15.31 0.66 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.113 0.565 . . . . 0.0 111.976 178.239 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.13 154.07 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.513 . . . . 0.0 111.26 -172.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HD1' ' NE2' ' A' ' 33' ' ' GLN . 83.8 t80 -77.5 152.51 34.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.825 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.4 t -59.08 99.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.242 0.544 . . . . 0.0 111.43 -177.365 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -90.48 -47.77 7.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -169.3 120.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.576 175.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 9.4 t80 -134.14 101.61 5.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 41.9 tt0 -78.03 -56.24 1.08 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.708 -177.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 15.7 Cg_endo -56.93 118.92 5.86 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.106 1.871 . . . . 0.0 111.626 179.293 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -165.2 0.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.524 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HE3' HD21 ' A' ' 72' ' ' LEU . 38.7 mmtm -84.88 -59.65 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.5 176.415 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.25 -5.88 6.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.31 0.576 . . . . 0.0 110.694 172.559 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -91.36 87.36 6.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.47 -173.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -101.58 -171.77 2.04 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 173.493 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 78.2 t80 -132.59 137.95 47.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.992 0.425 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' B' ' 434' ' ' ARG . 29.8 ttm180 -88.97 119.89 29.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 58.6 tptt -97.87 133.63 42.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.781 -176.56 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -100.25 126.54 46.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 175.271 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.89 178.27 5.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.7 p -140.88 103.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.524 0.678 . . . . 0.0 109.462 172.402 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.478 ' H ' HG23 ' A' ' 62' ' ' VAL . 34.5 tp -88.5 97.27 10.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.109 -173.444 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 42.79 63.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 124.342 1.026 . . . . 0.0 112.24 177.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.94 -89.61 0.2 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.344 -1.408 . . . . 0.0 114.418 177.336 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 56' ' ' VAL . 15.3 pt-20 -101.13 154.8 18.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.618 0.247 . . . . 0.0 110.519 -172.467 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -69.44 128.3 36.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.282 0.563 . . . . 0.0 110.41 -179.407 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 57' ' ' LEU . 2.2 t -112.5 143.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.794 -174.807 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 11.4 mm100 -112.15 119.14 37.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.864 -177.432 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -109.12 116.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.38 0.609 . . . . 0.0 109.659 177.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 26.1 t0 -95.4 120.66 36.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.149 -176.734 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.27 143.49 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.014 0.435 . . . . 0.0 111.331 -171.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.535 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 59.6 tp -122.85 112.99 18.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.306 172.776 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -91.04 115.73 28.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -86.48 134.2 33.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 111.776 -173.568 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 150.66 25.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.671 176.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.74 51.99 4.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.888 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.612 HD21 ' HE3' ' A' ' 47' ' ' LYS . 1.5 pp -158.41 169.08 25.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -177.476 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -102.81 -13.7 16.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.963 175.343 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -44.01 -70.2 0.11 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.146 -0.934 . . . . 0.0 113.431 -176.026 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.0 m-85 -61.24 -20.12 62.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.698 -170.608 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.21 -65.91 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.873 1.358 . . . . 0.0 112.689 176.595 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.973 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.57 -31.34 24.21 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.264 1.026 . . . . 0.0 112.351 -176.673 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 50.9 mt -67.18 -32.99 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.973 0.416 . . . . 0.0 110.209 178.818 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -94.61 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.433 178.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -46.68 21.69 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -170.199 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.973 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 27.6 m-80 -71.89 -22.63 61.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -172.619 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -82.13 -30.97 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 17.8 m-30 -65.57 -15.39 62.67 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -172.799 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -53.47 -53.56 49.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.726 0.298 . . . . 0.0 111.393 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -94.26 43.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.649 0.738 . . . . 0.0 109.761 176.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.59 157.61 21.34 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.118 178.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -121.02 -81.42 0.64 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.14 146.04 16.07 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 -179.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.82 135.68 51.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.345 -176.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 124' ' ' LEU . 90.7 mt -102.1 117.12 34.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.807 175.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.632 HD21 HD23 ' A' ' 123' ' ' LEU . 64.5 mt -86.79 106.76 17.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.849 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 27' ' ' LYS . 26.9 m -102.13 121.89 53.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.187 0.518 . . . . 0.0 111.334 -176.521 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.747 ' HA ' HG11 ' A' ' 25' ' ' VAL . 10.4 p90 -143.33 151.28 40.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.839 176.165 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 t -110.82 145.02 38.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.178 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.66 11.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.467 HG21 HD13 ' A' ' 132' ' ' LEU . 18.1 p -104.91 -23.44 12.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 173.179 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -96.79 107.13 19.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.2 -176.001 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -67.08 -27.78 67.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.06 -50.51 68.95 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.138 174.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 22.0 m -64.35 -36.18 83.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.384 -176.791 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.2 -49.36 72.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.719 0.295 . . . . 0.0 110.599 -179.319 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -69.28 -27.85 65.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.243 0.544 . . . . 0.0 110.684 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.23 -15.38 61.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.358 -178.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -55.28 -48.83 73.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.58 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.391 176.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -43.05 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.0 m-85 -58.13 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.289 176.517 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.994 -178.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -36.16 82.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.589 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.3 mt -65.93 -47.34 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.583 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.7 mp -69.78 -12.95 62.03 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -76.23 -32.96 59.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.676 0.274 . . . . 0.0 110.309 177.342 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 29.2 m -107.94 -26.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.725 -178.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.902 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 9.4 mtmt -118.9 106.63 12.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 178.159 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.57 22.91 0.23 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.92 10.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.274 -169.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.902 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.27 -78.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.615 -175.159 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 38.6 t70 -155.99 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.548 179.026 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -134.27 154.41 51.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.676 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.3 mt -127.88 98.99 26.45 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.83 0.348 . . . . 0.0 110.734 -175.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.43 123.76 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.517 2.811 . . . . 0.0 112.5 178.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.632 HD23 HD21 ' A' ' 91' ' ' LEU . 6.6 mp -116.98 135.57 53.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.204 177.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.772 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -117.63 121.41 40.83 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.283 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 91' ' ' LEU . 16.5 t -81.87 120.38 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.222 -178.543 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.35 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.632 -176.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.77 101.29 2.03 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 179.386 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.17 129.97 35.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.011 0.434 . . . . 0.0 111.353 -176.357 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt 69.85 50.56 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.396 174.499 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -63.72 -12.13 31.97 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 167.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -53.85 -22.61 10.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.13 170.536 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 95' ' ' ILE . 36.3 mt -92.05 87.25 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 177.254 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 -37.8 13.03 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.287 0.565 . . . . 0.0 110.046 176.044 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.5 pt-20 -82.3 -18.04 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.119 -175.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 81.6 mtp180 -111.59 8.52 20.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 -174.834 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -58.66 114.23 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.768 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.51 -41.42 13.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.6 p -108.38 126.01 30.59 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.074 -177.16 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.83 119.39 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.557 2.172 . . . . 0.0 111.017 175.416 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.637 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -71.29 -16.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.078 -174.039 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.6 mp0 -56.25 -49.73 73.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.638 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.85 -11.37 59.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 110.915 -178.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -83.8 -45.86 12.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.425 176.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 23.5 mtm180 -58.96 -38.58 79.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.138 0.494 . . . . 0.0 110.441 174.509 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -57.98 -28.11 64.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.952 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -67.22 -48.55 67.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.74 88.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.451 176.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.33 -45.78 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.006 176.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.76 -41.69 91.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.308 179.493 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -85.83 -0.86 56.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.456 -174.327 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.71 38.01 61.26 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.776 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.8 -171.18 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.623 0.249 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.772 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -110.75 160.66 16.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.029 0.442 . . . . 0.0 111.211 179.429 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 37.6 t80 -125.7 123.24 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.68 175.776 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.93 125.41 73.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.566 -178.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.79 127.4 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.8 p -124.85 142.72 51.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.852 -176.651 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 m -135.82 108.21 7.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.221 176.671 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.46 -13.14 60.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 178.477 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.564 177.082 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 7.9 p -127.75 3.54 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.146 -178.364 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 56.21 39.28 30.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.226 -177.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.44 131.3 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.335 -176.257 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 70.23 6.48 5.8 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.078 0.861 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.5 -33.35 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.19 0.519 . . . . 0.0 110.051 178.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.51 -47.66 82.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.831 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.26 -52.11 67.06 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.157 -170.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 23.8 m -53.26 -35.51 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -76.28 -54.06 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.706 0.289 . . . . 0.0 111.589 178.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.16 -38.24 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.751 -175.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.56 -48.85 75.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.222 -177.638 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.02 -34.53 78.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 56.4 mtm -64.05 -31.03 72.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.284 178.136 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -67.06 -46.55 73.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.563 175.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.5 mm-40 -52.36 -42.54 64.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.702 176.096 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.5 -40.38 58.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -71.29 -40.99 70.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 -177.699 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.9 m -59.78 -42.01 92.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.511 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.6 mptt -63.94 -49.93 70.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.824 177.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -60.26 -35.85 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.033 -178.085 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.201 -178.592 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 121.359 0.6 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.05 -27.75 69.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.944 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.0 -56.17 25.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.529 -178.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.08 -36.34 92.78 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.235 -179.325 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.63 ' O ' HG13 ' B' ' 402' ' ' ILE . 35.2 mm -56.23 -54.88 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.027 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.54 -42.59 88.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.695 -177.009 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.69 -45.58 89.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.081 0.467 . . . . 0.0 111.038 -179.183 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 16.2 mt-10 -79.7 -24.8 41.46 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.49 -176.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.731 HG12 ' HG ' ' B' ' 439' ' ' LEU . 63.2 mt -59.15 -52.85 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.08 -29.46 69.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 7.7 ttm-85 -62.86 -46.22 88.89 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.651 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.502 ' HB2' HD23 ' B' ' 436' ' ' LEU . 33.1 mm-40 -72.92 -41.56 64.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -178.388 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.73 -36.47 78.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.518 177.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -62.26 -50.2 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.206 174.147 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 412' ' ' LEU . 73.6 mt -57.01 -48.41 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 16.2 tp -65.08 -44.61 88.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.448 -178.815 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.21 -42.69 77.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.784 177.642 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 36.9 m -59.23 -53.77 54.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.588 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -58.33 -43.12 88.1 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.49 177.029 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.438 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 6.7 m-70 -59.04 -47.3 85.73 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.512 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 57.4 mtt180 -76.88 -43.83 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.186 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -47.42 82.07 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.485 0.659 . . . . 0.0 111.452 -175.546 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 425' ' ' LYS . 5.6 mp -64.58 -24.87 67.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.842 -171.067 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 52.4 mt-30 -56.28 -27.03 53.97 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.686 0.279 . . . . 0.0 111.19 179.12 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.65 -8.91 82.15 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.229 -176.485 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.69 -3.66 49.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.337 179.228 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.25 117.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.506 ' HB2' ' HE2' ' B' ' 425' ' ' LYS . 24.5 pttm -135.25 145.11 47.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.756 0.789 . . . . 0.0 112.083 -176.698 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.1 t70 -149.09 166.4 28.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.383 -1.281 . . . . 0.0 107.755 178.401 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.03 -30.96 70.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.498 0.666 . . . . 0.0 109.319 174.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.4 m -63.69 -44.89 92.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.269 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -66.76 -38.31 86.34 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -170.602 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.7 pt-20 -73.37 -40.81 64.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.244 -178.655 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 24.6 mm-40 -66.52 -48.14 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.203 175.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.559 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.0 mmt180 -60.62 -37.61 82.02 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.754 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.3 mt -55.63 -53.95 50.17 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.481 0.488 . . . . 0.0 110.503 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.621 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 63.5 m95 -66.59 -38.22 86.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.76 -178.421 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 51.4 mt-10 -58.64 -56.66 19.3 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.949 -178.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 7.4 p -66.35 -32.37 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.227 0.536 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 22.7 tp60 -55.57 -56.53 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 176.659 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.621 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.09 -26.72 63.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.39 -176.421 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.7 mt -64.55 -50.91 73.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.004 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.5 tm? -58.77 -46.06 88.37 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.288 -176.623 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.542 HG22 ' HA ' ' B' ' 434' ' ' ARG . 1.8 t -62.37 -45.41 93.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.273 -177.309 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.03 -38.39 88.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.201 0.524 . . . . 0.0 109.845 177.363 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.731 ' HG ' HG12 ' B' ' 402' ' ' ILE . 35.2 tp -66.98 -38.1 85.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.786 -178.581 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 9.5 mmmm -64.85 -37.71 88.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.002 0.429 . . . . 0.0 110.121 176.752 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.739 175.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.56 -31.2 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.152 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.655 ' HB2' HD11 ' B' ' 402' ' ' ILE . 61.8 tp -65.07 -48.36 74.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.261 175.452 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -5.51 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.346 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -100.93 -9.71 21.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.179 177.46 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--O 1.237 0.418 0 CA-C-O 121.179 0.514 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -91.15 13.25 17.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.35 -178.181 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -130.01 124.59 33.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.566 178.091 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 46.0 m-70 -128.92 136.0 49.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 1.091 ' HE2' ' HB2' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -119.24 114.17 22.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.901 0.382 . . . . 0.0 110.583 179.697 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.36 127.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.897 -177.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.28 124.91 68.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.812 177.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 ttm -91.49 114.33 26.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -109.19 162.67 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.076 0.465 . . . . 0.0 111.591 -175.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.9 -155.45 26.73 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -83.28 -155.36 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.733 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -53.74 -59.76 9.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 177.373 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.59 -78.28 0.22 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.102 -1.046 . . . . 0.0 112.831 179.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t 72.86 -54.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.641 0.776 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.72 26.58 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.215 -179.113 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 28' ' ' SER . 18.8 ptpt -71.99 -54.33 10.27 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.298 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 25.6 m -64.98 -23.48 67.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.724 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.65 -39.04 70.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.809 178.428 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 128' ' ' ASN . 96.7 mt -63.12 -44.66 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -177.443 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -69.88 -34.49 73.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.016 -178.425 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.9 tm? -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.721 176.481 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.826 HE22 ' HA ' ' A' ' 39' ' ' PHE . 83.5 mm-40 -57.62 -39.2 76.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.736 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -72.08 -7.87 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.633 -175.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.673 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 62.0 mtm -118.42 -4.58 10.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.886 -0.509 . . . . 0.0 112.009 -178.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 46.2 m-85 -138.43 -37.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.468 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 21.4 t0 70.99 16.06 6.54 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.442 1.115 . . . . 0.0 109.156 -170.684 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -122.26 151.18 41.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.423 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.826 ' HA ' HE22 ' A' ' 33' ' ' GLN . 53.9 t80 -80.25 126.6 31.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.422 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.691 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -61.75 124.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -175.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -102.49 -30.27 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.47 178.119 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.43 100.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -167.19 102.07 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.481 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.82 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 mm-40 -110.55 -46.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 6.1 Cg_endo -48.38 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.707 2.271 . . . . 0.0 113.186 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.1 p -151.2 11.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 179.076 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -73.3 -40.79 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.35 0.595 . . . . 0.0 109.756 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 -21.24 5.16 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.1 176.1 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -77.37 104.3 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.533 . . . . 0.0 111.022 -178.636 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.54 ' HB2' HE22 ' B' ' 433' ' ' GLN . 7.8 m -101.78 165.74 11.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.282 176.78 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.24 127.3 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 0.0 112.087 -174.03 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HE ' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttt180 -81.31 110.78 17.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.711 178.3 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.673 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 45.3 tptt -104.5 125.46 50.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.48 179.291 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -107.55 125.61 51.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -133.5 150.38 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.47 117.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 171.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.95 96.89 6.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.472 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 41.54 77.93 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.445 1.091 . . . . 0.0 111.552 -176.549 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.65 -111.16 0.52 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.789 -1.196 . . . . 0.0 114.472 178.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.34 160.67 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.298 -169.274 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.69 112.32 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.059 178.66 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.9 t -107.6 151.5 9.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.197 -174.805 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.403 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 24.7 mt-30 -113.64 141.43 47.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.215 0.531 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 9.2 tt -150.61 114.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.229 175.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 1.091 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 5.3 m-20 -88.85 134.99 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.41 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.496 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 43.7 mm -107.31 130.57 59.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.945 0.402 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 82' ' ' TYR . 34.5 tp -109.92 123.99 50.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 33.9 t70 -97.41 135.6 39.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.25 178.912 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.8 p -101.49 138.16 38.85 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.97 133.84 35.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 174.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -95.4 70.03 1.04 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.091 -178.27 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -147.51 167.01 25.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -176.689 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -91.85 -6.91 50.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.711 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.519 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -58.71 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.625 -178.388 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.529 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 7.6 m-85 -115.28 92.42 3.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.965 -175.197 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.615 0.721 . . . . 0.0 109.527 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.753 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.46 -6.84 46.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.533 177.615 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.6 mt -97.82 -37.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 0.0 110.119 175.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -91.84 -66.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.997 0.427 . . . . 0.0 111.264 -178.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.14 -49.96 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.951 -170.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.753 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 56.2 m-80 -69.33 -17.4 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.381 -172.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.1 m-85 -92.1 -11.74 34.89 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.643 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 114' ' ' VAL . 8.0 m-30 -77.97 5.73 9.22 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.505 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HG2' ' OE1' ' B' ' 426' ' ' GLU . 2.0 mpt_? -87.96 -76.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.276 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.0 m -79.33 44.11 0.58 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.234 0.54 . . . . 0.0 112.036 -176.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.15 18.59 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.469 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.628 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.5 mt-10 -119.83 -62.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.158 0.479 . . . . 0.0 111.034 -176.676 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.34 127.26 7.84 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.022 -176.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -128.54 131.96 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 111.105 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.3 mt -104.66 122.46 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.198 177.144 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 mt -93.37 107.69 19.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.647 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.7 m -108.44 129.62 62.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.398 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -138.66 166.1 25.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.771 176.002 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 p -103.11 138.97 39.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.368 -179.028 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.59 9.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 111.499 -177.951 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.632 HG21 HD13 ' A' ' 132' ' ' LEU . 12.1 p -115.7 -11.2 11.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.713 0.292 . . . . 0.0 111.57 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -113.27 112.24 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.441 . . . . 0.0 110.425 -179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -74.63 -20.71 59.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.24 -52.21 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.274 175.409 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.6 p -70.38 -28.79 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.35 -50.02 75.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.486 176.658 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -68.26 -34.33 76.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.294 0.569 . . . . 0.0 110.814 178.333 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.24 -20.25 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.4 -176.378 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.1 p -55.21 -36.49 66.02 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.056 0.455 . . . . 0.0 111.437 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.46 72.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.55 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.5 -34.84 79.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.21 -177.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 21.6 m-85 -56.95 -42.12 79.53 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 176.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -68.31 -48.31 65.25 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.041 174.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.15 -39.49 66.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.922 -175.055 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -34.51 76.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.92 0.39 . . . . 0.0 110.216 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.06 -41.52 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 177.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.66 -27.46 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 176.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -66.74 -37.65 85.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.623 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.7 m -92.08 -12.08 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.545 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 114' ' ' VAL . 60.1 mttm -122.56 -115.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.739 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.36 -45.85 0.42 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.13 0.972 . . . . 0.0 112.747 -178.158 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.39 15.99 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 0.0 111.326 -178.6 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -108.07 -149.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.493 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 21.6 t0 -91.12 -80.03 0.35 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.289 -172.296 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.7 mptt -139.32 144.13 38.15 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 122.055 -0.403 . . . . 0.0 110.947 -179.202 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.4 mt -112.94 92.33 20.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 176.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 27.4 Cg_exo -61.79 104.98 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 178.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mt -105.23 144.05 32.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 125' ' ' VAL . 6.0 tp -147.51 121.61 9.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.502 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.5 t -89.85 115.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.282 -176.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.647 ' HB ' HG12 ' A' ' 92' ' ' VAL . 56.1 t -112.36 114.42 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.173 -177.603 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.53 117.13 4.41 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 177.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 8.2 p30 -107.95 170.55 7.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.048 0.424 . . . . 0.0 110.451 -179.35 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 14.0 mmmm 67.51 16.66 9.97 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.919 0.762 . . . . 0.0 110.719 -177.378 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.9 m -67.54 -6.28 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 111.15 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -3.54 32.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.029 174.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.632 HD13 HG21 ' A' ' 96' ' ' THR . 64.0 mt -71.69 -48.33 48.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.692 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 64.74 -75.69 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.682 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.42 -31.05 65.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.218 -173.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 96' ' ' THR . 64.4 mtt180 -82.29 1.65 35.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.852 -177.05 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.8 ttm105 -52.8 113.35 1.06 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.107 0.48 . . . . 0.0 110.187 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -91.65 -29.44 16.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.832 -174.514 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.8 p -106.75 124.28 35.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.439 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 116.84 3.33 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.537 2.158 . . . . 0.0 110.554 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.696 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.51 -16.31 13.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.546 -169.635 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.523 ' OE1' ' HD3' ' A' ' 144' ' ' ARG . 5.5 tp10 -61.62 -47.48 85.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.384 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.29 -21.21 61.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 110.507 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.56 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.631 173.404 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 41.2 mtp180 -67.46 -34.28 76.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.634 175.414 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.0 t -60.76 -34.62 74.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.631 178.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.4 mmtt -65.01 -33.1 75.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.166 178.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.76 -41.73 96.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.888 0.375 . . . . 0.0 110.238 175.716 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.08 -36.06 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.965 178.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.23 -40.65 94.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.856 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -91.58 -11.55 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.193 -176.08 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.92 35.37 18.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 178.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.61 -175.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -105.66 155.42 19.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.198 175.688 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.3 t80 -123.14 128.56 50.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.769 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.14 129.59 50.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.191 -178.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.91 135.8 33.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.988 0.423 . . . . 0.0 110.056 176.34 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.711 ' HB ' HG22 ' A' ' 165' ' ' VAL . 43.6 p -124.85 129.56 50.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.207 -176.292 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.9 m -91.68 115.78 28.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.518 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -90.93 -24.65 20.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.149 -173.66 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -74.98 -21.91 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.0 p -123.4 -5.46 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 -176.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? 61.21 87.13 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 -178.652 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.41 130.97 21.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.877 178.443 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 73.06 -15.14 0.55 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.813 0.845 . . . . 0.0 112.289 176.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.711 HG22 ' HB ' ' A' ' 157' ' ' THR . 25.6 t -59.81 -39.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.562 . . . . 0.0 110.78 -178.06 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 -38.02 85.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.33 -175.786 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 171' ' ' ASP . 20.0 ttpp -65.49 -48.61 71.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.845 -169.735 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.84 -31.27 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.555 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 173' ' ' MET . 80.0 m-85 -67.92 -43.64 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -69.78 -46.27 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.092 -178.418 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 167' ' ' LYS . 46.0 m-20 -57.44 -46.39 83.63 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.314 0.383 . . . . 0.0 111.522 -178.117 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.7 tp -60.66 -30.86 70.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 19.9 mtt -62.39 -31.1 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -179.324 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 0.0 OUTLIER -71.71 -44.82 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.486 179.321 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 10.4 mm-40 -55.15 -50.96 67.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.292 -0.163 . . . . 0.0 111.432 173.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 172' ' ' LEU . 69.7 mt -56.14 -48.13 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 17.3 ptp180 -65.93 -29.12 69.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.654 -177.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.1 m -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.597 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 64.0 mmtt -68.38 -35.79 78.21 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.324 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 23.0 mmmt -66.98 -31.96 72.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -179.837 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 176.659 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 121.063 0.458 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.51 -28.93 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.499 -177.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.98 -56.05 18.94 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.222 0.326 . . . . 0.0 111.656 -177.682 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.2 97.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.194 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.553 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.1 mm -58.89 -50.56 79.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.805 179.376 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.26 -33.53 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.73 -176.471 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.4 mt-10 -62.52 -43.68 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 177.339 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.84 -32.36 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.105 179.088 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.617 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.3 mt -60.13 -47.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.852 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.66 -39.75 68.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 175.68 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 12.8 ttp180 -61.99 -47.49 84.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.049 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.413 ' OE1' HG23 ' B' ' 432' ' ' VAL . 70.6 mm-40 -73.76 -34.71 64.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.672 -177.73 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 436' ' ' LEU . 60.0 mt-10 -61.44 -44.13 97.66 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.39 -51.68 67.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.859 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.602 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.0 mt -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.096 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 65.2 tp -71.85 -32.77 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.375 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -66.99 -41.34 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.147 0.499 . . . . 0.0 109.862 175.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.8 t -60.03 -53.45 57.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -55.99 -44.74 78.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 174.614 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.4 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 7.3 m-70 -61.37 -46.82 88.61 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -177.104 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -76.54 -36.23 57.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.582 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.13 -40.64 86.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -173.233 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 90.0 mt -63.38 -33.9 76.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -170.038 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 75' ' ' TYR . 1.5 mp0 -64.92 -15.79 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.867 -179.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.12 -4.48 63.39 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.655 -178.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.73 35.68 5.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.214 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 74.6 mt -119.46 138.15 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.057 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -145.77 143.68 29.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.633 0.73 . . . . 0.0 111.854 178.594 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.682 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.9 t70 -149.4 159.48 44.25 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 169.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.33 -29.56 70.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.918 0.866 . . . . 0.0 109.108 175.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.2 m -65.37 -38.28 89.58 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.709 -178.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.0 OUTLIER -69.89 -29.35 66.53 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.165 -173.277 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.691 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 1.9 mt-10 -72.47 -47.9 45.13 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.312 0.577 . . . . 0.0 109.543 179.356 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.8 mm-40 -64.3 -40.44 95.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.586 176.728 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.614 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -60.27 -41.67 93.77 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.121 178.839 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 20.1 mt -55.22 -49.39 72.07 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.276 0.36 . . . . 0.0 110.38 178.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 90.3 m95 -65.62 -45.89 81.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.198 179.052 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 50.2 mt-10 -57.35 -54.9 41.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.621 0.248 . . . . 0.0 111.575 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -64.49 -35.9 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.629 -172.823 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.54 HE22 ' HB2' ' A' ' 50' ' ' SER . 0.0 OUTLIER -69.77 -29.69 67.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -177.796 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -70.07 -35.21 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 177.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' B' ' 432' ' ' VAL . 2.8 mt -70.86 -42.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.488 175.538 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.2 tm? -55.74 -45.15 78.05 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.536 178.426 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.3 t -75.87 -36.29 59.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.016 -174.177 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.52 -38.64 84.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.107 0.479 . . . . 0.0 110.231 177.496 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.617 ' HB3' HG12 ' B' ' 402' ' ' ILE . 26.4 mt -68.16 -40.95 82.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.354 178.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' B' ' 443' ' ' LEU . 38.5 mttp -66.77 -30.2 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.797 177.028 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.512 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 2.8 tmt_? -66.58 -45.41 79.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.4 mmmm -63.49 -26.19 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 177.375 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.551 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.8 tp -63.94 -42.5 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.493 174.388 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.41 -8.4 59.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 177.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.492 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 5.2 tp10 -83.84 -26.74 29.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.677 175.575 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.756 -179.218 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.1 mt . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.95 11.41 27.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 0.0 110.397 178.735 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 92.6 mt -131.51 117.44 18.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.554 177.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -123.09 142.86 50.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.652 -176.776 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' CD ' ' A' ' 87' ' ' GLU . 1.2 mmtp -123.12 118.15 27.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.711 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 66' ' ' ILE . 7.3 p -121.86 128.83 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.228 0.537 . . . . 0.0 109.696 175.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -106.09 129.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.631 -177.106 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 17.9 mmt -81.89 107.22 14.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.564 174.343 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.6 m -94.74 140.46 16.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 110.365 -177.313 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 157.92 158.49 9.01 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 49.6 m -101.1 -71.2 0.72 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -178.002 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.44 148.42 48.54 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 173.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.63 58.5 4.47 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.51 -177.295 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.98 -50.83 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 122.961 0.504 . . . . 0.0 111.234 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.24 30.64 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.503 176.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 53.0 pttt -79.64 1.41 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.573 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -117.67 -24.41 7.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 175.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.87 -53.96 13.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.261 -175.207 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.45 -33.53 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.648 0.737 . . . . 0.0 110.348 -179.197 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.614 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.44 -47.1 80.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.378 -173.551 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 40' ' ' VAL . 7.3 tt -71.78 -28.09 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -175.365 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.589 HE22 ' HA ' ' A' ' 39' ' ' PHE . 10.7 mm100 -59.89 -45.76 91.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.19 0.519 . . . . 0.0 109.845 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -72.73 -32.1 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.638 177.368 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.43 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 44.9 ttm -66.22 -50.87 62.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.322 -178.89 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 41.5 m-85 -101.08 -82.82 0.46 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.671 179.177 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 27.4 t70 171.62 -46.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.815 0.697 . . . . 0.0 109.858 -179.865 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.85 -178.75 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.639 -178.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' HA ' HE22 ' A' ' 33' ' ' GLN . 59.9 t80 -75.11 136.5 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.408 -172.019 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 32' ' ' LEU . 2.7 p -55.51 124.35 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.469 -179.07 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -97.45 -48.07 5.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.539 174.583 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.5 t70 -153.8 117.7 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.463 -176.1 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -167.88 93.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 39.8 tt0 -83.47 -51.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.333 -176.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 22.3 Cg_exo -65.19 105.54 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.981 1.788 . . . . 0.0 113.138 -175.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 10.5 p -136.59 36.6 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 168.484 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -85.53 -55.71 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.935 -177.449 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.34 21.94 7.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.76 0.79 . . . . 0.0 108.931 172.435 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.1 m-20 -100.2 92.54 5.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.977 -167.001 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -90.96 153.17 20.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.251 170.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -143.59 112.87 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.107 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 63' ' ' GLN . 11.9 ttp180 -75.42 119.66 19.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.501 -173.596 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 35' ' ' MET . 46.2 tptt -101.26 127.11 48.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.942 -179.705 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 3.9 tmmt? -100.86 117.31 34.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.981 0.419 . . . . 0.0 110.343 178.643 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.13 154.15 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.402 -179.644 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' C ' ' A' ' 60' ' ' GLU . 9.6 p -112.15 133.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 173.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD12 ' NH1' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -132.93 103.4 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.769 -179.106 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 43.97 35.1 1.05 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.548 1.155 . . . . 0.0 112.277 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.0 -116.43 0.43 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.92 -178.027 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' C ' HG23 ' A' ' 56' ' ' VAL . 14.6 pt-20 -106.71 167.38 9.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.148 0.179 . . . . 0.0 110.59 -174.928 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 41.6 mt-10 -73.86 112.91 10.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 109.854 179.132 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' ' 13' ' ' ALA . 59.3 t -106.48 147.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.062 -174.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.654 ' HB3' ' HD2' ' A' ' 52' ' ' ARG . 50.1 mt-30 -111.81 117.88 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.376 0.608 . . . . 0.0 110.43 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.1 124.07 72.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.142 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.65 132.37 47.37 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.2 mm -108.13 127.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.215 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 tp -98.71 115.37 28.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.138 176.212 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 10.9 t70 -92.53 138.82 31.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 175.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.0 p -109.13 147.8 31.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.92 -172.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.45 161.94 29.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.024 173.181 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -134.82 70.9 0.5 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.11 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.5 pt? -152.06 162.02 41.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -82.31 29.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.185 0.517 . . . . 0.0 111.144 -175.834 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.491 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m-20 -115.53 -74.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.506 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -79.74 74.84 6.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.836 -173.034 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.05 -19.12 60.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.289 175.515 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -70.87 -6.59 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.716 -177.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' B' ' 413' ' ' HIS . 42.4 mt -95.05 -33.47 4.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -178.882 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.97 -64.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.112 0.482 . . . . 0.0 111.171 -176.16 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.13 -38.11 66.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.084 -170.233 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.559 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 2.8 m-20 -71.43 -17.64 62.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.576 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -97.58 -14.3 21.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.337 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 114' ' ' VAL . 7.9 m-30 -60.65 -32.59 71.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.338 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -57.03 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.021 -175.414 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 8.0 m -90.28 22.86 3.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.945 0.403 . . . . 0.0 111.146 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.77 137.22 14.38 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.33 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.459 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 92.4 mt-10 -88.32 -70.08 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.683 0.277 . . . . 0.0 110.626 -179.58 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.57 147.25 17.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.196 -178.771 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' HZ ' ' HD2' ' A' ' 115' ' ' LYS . 48.5 m-85 -127.78 123.88 36.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.302 . . . . 0.0 110.589 -178.16 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 20' ' ' VAL . 85.2 mt -103.45 121.9 43.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.552 178.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.8 mp -94.17 107.9 19.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.38 129.15 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.057 0.456 . . . . 0.0 111.811 -177.211 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -148.24 165.26 31.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.964 176.707 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -109.07 148.74 30.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.759 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.47 16.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.091 -178.59 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 132' ' ' LEU . 13.7 p -123.19 -2.86 8.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 176.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.25 111.59 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.578 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -78.04 -29.81 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.895 -173.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.53 -31.82 67.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.121 0.486 . . . . 0.0 110.429 -174.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 -28.24 69.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.701 175.436 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.3 -40.52 81.7 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.156 0.503 . . . . 0.0 109.652 175.624 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -63.94 -42.16 97.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.498 0.666 . . . . 0.0 109.761 174.331 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.74 80.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.398 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.63 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 10.9 p -58.54 -32.36 68.81 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.531 -178.86 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.2 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 110.461 177.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.64 -27.4 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.681 -178.235 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 14.3 m-85 -56.61 -42.3 78.52 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.633 179.667 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.531 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 ttt180 -55.36 -53.04 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.431 -178.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.25 -27.31 65.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.32 -36.34 71.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.09 0.472 . . . . 0.0 109.883 -179.081 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.579 ' HA ' HG22 ' A' ' 114' ' ' VAL . 64.1 mt -71.46 -33.96 51.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.201 177.057 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.7 mm? -58.91 -28.93 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.517 174.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -78.67 -44.89 22.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.255 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 83' ' ' PHE . 30.9 m -76.88 -34.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.555 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB2' HD11 ' A' ' 121' ' ' ILE . 51.0 mtpt -98.9 -71.65 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.659 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.63 -80.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 177.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.68 28.18 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.011 0.434 . . . . 0.0 111.694 -170.166 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 6.6 mm-40 -81.92 -161.44 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.114 178.147 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 120' ' ' LYS . 1.8 p-10 -61.67 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 174.197 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.691 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 44.2 mmtm -146.81 -178.41 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.255 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 115' ' ' LYS . 67.8 mt -139.81 93.23 9.61 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.519 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.74 126.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.592 2.861 . . . . 0.0 112.607 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.15 145.38 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.047 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 125' ' ' VAL . 4.2 tp -136.71 117.92 14.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.274 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 124' ' ' LEU . 9.1 t -87.34 118.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.884 -177.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.47 109.89 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.565 -175.381 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.73 113.57 3.8 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 177.18 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.469 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 6.5 p30 -109.69 176.2 5.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.884 0.342 . . . . 0.0 110.967 -176.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.469 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 33.6 mmtp 69.17 31.31 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.858 0.724 . . . . 0.0 110.376 -178.282 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 m -58.19 -12.4 3.53 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -177.82 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.72 -14.06 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.654 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.2 mt -85.35 41.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.808 179.761 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.14 -26.1 67.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -176.183 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -101.37 -10.07 20.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.997 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.3 mtt180 -107.48 -3.53 19.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.609 -178.22 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.561 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.1 ttm180 -53.31 117.72 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.639 179.603 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 6.0 tp60 -107.52 -22.45 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.513 178.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.17 118.94 52.57 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.742 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.51 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 48.7 Cg_exo -55.42 115.72 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.783 2.322 . . . . 0.0 111.485 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -70.21 -25.21 27.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.933 -176.384 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.74 -50.5 73.01 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.314 -178.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.7 pt-20 -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.375 -179.723 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.81 77.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.352 176.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.702 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 27.7 mtm180 -64.05 -40.14 95.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.501 175.386 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 22.7 t -67.59 -20.34 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.023 179.424 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.47 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 54.4 mmtt -71.1 -41.91 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.748 175.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -61.61 -36.09 79.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 109.403 172.772 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 145' ' ' SER . 32.6 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.107 177.045 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 145' ' ' SER . 42.3 mt-10 -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.25 -179.304 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.3 -13.01 50.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.59 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.96 26.45 37.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.429 179.365 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.603 HG23 ' HB1' ' A' ' 147' ' ' ALA . 17.0 m -121.48 -175.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 178.916 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.422 ' HG3' HD13 ' A' ' 124' ' ' LEU . 28.6 pt20 -105.83 162.67 13.35 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.619 178.394 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.702 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 66.0 t80 -130.16 122.35 28.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.602 176.538 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.09 123.0 59.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -84.42 129.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -131.97 156.66 45.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.366 0.603 . . . . 0.0 111.675 -172.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.3 p -138.44 102.93 4.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.764 173.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.587 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -60.82 -18.7 57.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.69 -177.512 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -67.6 -18.71 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.294 -178.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.9 t -141.06 10.37 2.15 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.113 0.483 . . . . 0.0 110.617 178.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 61.63 25.91 15.7 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.582 178.128 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -72.25 109.52 6.05 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.679 178.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.428 ' HB2' HG22 ' A' ' 157' ' ' THR . 85.4 m-20 70.31 4.16 4.77 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.025 0.828 . . . . 0.0 112.207 176.543 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 159' ' ' ALA . 97.1 t -71.2 -47.43 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 -176.062 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.93 -36.8 82.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.471 . . . . 0.0 110.52 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.39 -50.99 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.01 -176.47 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -57.89 -26.96 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -175.525 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -74.24 -56.44 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.128 175.141 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.7 m-85 -61.41 -41.84 97.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.617 -175.205 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -51.11 70.7 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.416 179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.1 tp -65.18 -34.61 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.389 0.614 . . . . 0.0 109.955 179.755 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.2 mtp -64.08 -29.66 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.519 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 6.9 mmm180 -70.8 -39.46 73.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.834 -0.167 . . . . 0.0 110.574 -179.684 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.22 -37.0 76.42 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.693 176.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.6 mt -57.21 -32.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.0 0.429 . . . . 0.0 110.73 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' A' ' 181' ' ' MET . 73.7 mtt180 -67.06 -52.25 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.183 176.717 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.8 m -63.79 -36.54 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.886 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.5 mptt -63.64 -49.14 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.795 179.454 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -74.69 -18.92 60.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -176.278 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 60.0 mtt . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.413 . . . . 0.0 110.07 175.202 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.468 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.3 m . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 121.158 0.504 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -58.44 -30.58 67.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.076 -179.753 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.62 -52.39 65.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.725 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.582 ' HA2' ' HG2' ' B' ' 400' ' ' GLU . . . -68.38 -31.06 73.63 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.22 -179.583 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.468 HG12 ' O ' ' B' ' 394' ' ' THR . 44.9 mm -63.46 -48.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 0.0 110.086 175.745 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' B' ' 402' ' ' ILE . 97.4 mttt -64.06 -43.69 94.71 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.672 -178.389 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.582 ' HG2' ' HA2' ' B' ' 397' ' ' GLY . 12.1 pt-20 -66.95 -32.56 73.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.817 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.662 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 9.0 tp10 -69.82 -42.22 73.96 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.642 ' HA ' HD23 ' B' ' 439' ' ' LEU . 89.7 mt -53.07 -51.42 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 174.316 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 31.5 mmt180 -57.02 -42.99 81.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 178.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.662 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 49.8 ttt180 -59.92 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 80.3 mm-40 -73.42 -27.22 61.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.934 -177.042 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 33.8 mt-10 -59.58 -43.19 93.72 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.032 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.58 -45.52 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.042 0.448 . . . . 0.0 111.06 -178.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.578 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.9 tm? -63.77 -43.95 94.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.606 176.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 48.9 t30 -56.41 -43.74 79.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.194 178.084 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.0 t -60.11 -55.85 28.86 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 -179.148 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' B' ' 429' ' ' LEU . 3.2 mm? -55.0 -37.07 66.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.007 0.432 . . . . 0.0 111.055 176.771 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.0 m170 -66.94 -40.39 87.57 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.671 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 36.0 mtp180 -78.64 -49.29 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.598 -178.401 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -62.98 -35.15 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.932 -175.09 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.559 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -84.65 -25.92 28.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.77 -179.209 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.621 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.7 tt0 -59.26 -25.44 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.672 0.389 . . . . 0.0 111.708 -175.086 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.17 -11.15 70.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.506 178.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 120.97 -20.41 8.59 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.189 178.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.8 mt -80.02 117.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.684 0.278 . . . . 0.0 110.67 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.492 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -136.38 162.58 32.64 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.032 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.745 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 13.6 t70 -147.02 155.39 42.2 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.533 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.07 -23.86 67.29 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.364 -174.849 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.7 m -68.42 -36.06 78.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.437 0.637 . . . . 0.0 109.446 174.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.745 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 23.7 mttm -74.13 -39.39 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.974 -177.455 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.72 -44.88 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.185 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 8.6 mm-40 -66.52 -39.79 88.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.598 175.659 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.62 ' O ' HG23 ' B' ' 432' ' ' VAL . 0.4 OUTLIER -60.18 -40.41 89.89 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.272 177.796 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' B' ' 412' ' ' LEU . 12.2 mt -58.71 -50.57 73.4 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.205 -179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.448 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 72.9 m95 -64.35 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.183 0.302 . . . . 0.0 110.876 177.187 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.616 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 48.1 mt-10 -65.08 -55.62 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.645 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -62.36 -36.02 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.816 0.817 . . . . 0.0 109.038 179.623 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.6 tp60 -56.62 -57.02 14.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.084 -1.417 . . . . 0.0 111.818 178.711 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.616 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 3.7 ptm180 -60.52 -28.16 68.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.899 -177.149 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -71.4 -49.2 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.336 177.67 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.457 HD11 HG23 ' B' ' 402' ' ' ILE . 26.1 tp -63.12 -41.15 99.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.1 t -65.88 -39.74 90.94 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.15 0.5 . . . . 0.0 110.032 179.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.15 -37.57 81.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.134 176.391 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.9 mp -61.69 -40.44 94.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.744 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -60.21 -42.7 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.12 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -45.96 90.37 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.927 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -59.17 -32.65 70.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.395 -179.765 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 443' ' ' LEU . 0.5 OUTLIER -62.81 -45.98 90.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.182 0.515 . . . . 0.0 109.925 176.602 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -80.85 -4.61 55.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.286 -179.519 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -96.84 -9.99 27.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 -178.226 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.32 179.705 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 180' ' ' LYS . 74.9 mt . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 55.41 13.23 0.87 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -155.29 130.26 9.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.699 0.285 . . . . 0.0 110.327 -178.01 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -138.06 136.53 36.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.816 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -106.43 106.85 17.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.337 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.84 137.42 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.489 178.195 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.21 120.56 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.663 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 43.3 mtt -86.56 139.06 31.21 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 172.443 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 91' ' ' LEU . 23.1 m -110.09 170.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.327 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.26 150.74 5.51 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.927 178.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -80.05 94.93 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.362 0.601 . . . . 0.0 109.893 176.646 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.61 -83.52 0.71 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.7 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.01 -43.24 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.293 177.91 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 93' ' ' PHE . 58.2 t 70.14 -58.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 123.526 0.73 . . . . 0.0 111.208 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.23 22.93 0.06 OUTLIER Glycine 0 C--N 1.313 -0.698 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.052 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 1.016 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 86.7 tttt -66.43 -60.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.67 -0.765 . . . . 0.0 111.81 -174.227 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 32' ' ' LEU . 44.1 m -59.72 -22.5 62.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.809 -177.38 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.27 -49.0 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.234 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.7 mt -73.52 -32.93 64.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -175.415 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.1 p -66.12 -47.38 74.33 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.055 -178.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.14 -33.64 73.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.428 179.185 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' A' ' 165' ' ' VAL . 18.3 mm-40 -59.43 -45.01 92.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.545 176.15 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -72.24 -28.63 63.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.317 0.58 . . . . 0.0 110.677 179.381 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtp -78.01 -59.62 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.067 -176.255 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.37 3.12 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -173.18 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 30.9 t70 74.07 -19.32 0.36 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.278 0.631 . . . . 0.0 112.074 177.216 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.087 0.47 . . . . 0.0 111.388 -178.023 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -75.8 147.75 38.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.182 -179.202 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.36 108.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -178.303 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.08 -54.21 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.172 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -155.24 90.44 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.276 178.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -153.25 102.56 2.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.44 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 4.4 mm-40 -105.07 -49.53 0.12 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -174.814 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.65 101.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.545 2.163 . . . . 0.0 113.808 -176.685 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.537 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -155.27 52.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.611 177.028 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -73.23 -59.55 2.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.123 -174.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.61 -48.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.436 0.636 . . . . 0.0 110.528 176.635 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.29 136.4 36.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.165 -175.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.4 m -126.81 -172.66 2.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.016 178.397 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -114.86 144.73 43.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.621 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 39.4 ttm180 -93.18 146.45 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 110.303 -178.475 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG3' HG13 ' A' ' 55' ' ' VAL . 56.0 tptt -118.92 133.59 55.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.684 -178.844 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -97.84 127.36 43.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 171.636 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.1 m -136.43 144.54 32.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 175.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 56' ' ' VAL . 10.2 p -111.6 105.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.776 0.798 . . . . 0.0 109.504 174.836 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 99.3 11.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 178.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 77.09 -39.62 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.57 -1.196 . . . . 0.0 113.145 175.59 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.61 -68.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.39 -170.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.8 pt-20 -92.62 138.65 31.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.184 0.492 . . . . 0.0 111.153 -171.586 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -68.76 110.85 4.52 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 170.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 60' ' ' GLU . 6.9 t -106.87 151.94 8.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.824 -174.323 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.621 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 47.6 mt-30 -110.54 116.98 32.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.325 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -106.61 111.89 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 CA-C-O 121.886 0.85 . . . . 0.0 109.144 178.152 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' HB3' ' CE ' ' A' ' 16' ' ' LYS . 16.3 t70 -90.22 125.87 35.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.064 -175.735 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' SER . 38.2 mm -106.63 145.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.35 -171.052 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD22 ' CZ2' ' B' ' 430' ' ' TRP . 52.2 tp -127.35 104.05 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 177.312 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 1.016 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 15.5 t70 -97.45 144.53 27.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.468 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -133.82 140.48 46.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -165.434 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.05 94.14 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 169.575 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.58 77.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.721 -177.714 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -142.74 172.13 13.11 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.477 0.179 . . . . 0.0 110.579 179.865 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.45 -19.63 61.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.854 -171.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.524 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.2 m-20 -68.36 -69.4 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.563 0.697 . . . . 0.0 111.101 -178.394 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HB3' HG13 ' A' ' 78' ' ' ILE . 55.3 m-85 -84.17 65.29 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.319 -174.567 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.72 -28.93 70.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.143 178.289 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.88 -6.3 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.525 -179.078 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.612 HG12 ' CE1' ' B' ' 413' ' ' HIS . 30.8 mt -98.95 -27.42 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.601 179.171 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -92.41 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.67 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.664 -170.398 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.26 -17.64 63.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.824 -172.347 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.431 ' OH ' HD11 ' B' ' 409' ' ' LEU . 0.0 OUTLIER -87.04 -12.42 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.293 -175.642 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -74.43 2.65 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 178.169 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 3.5 tmt_? -62.19 -63.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.101 -176.005 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.0 t -95.12 44.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.324 0.583 . . . . 0.0 110.515 -175.168 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.72 133.41 11.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.969 179.1 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.0 mt-10 -89.51 -70.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 110.045 -179.8 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.26 139.65 14.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.215 -178.214 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -123.2 137.68 54.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.6 . . . . 0.0 111.454 -176.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 87.9 mt -111.26 116.55 31.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.183 178.167 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 125' ' ' VAL . 38.0 mt -87.68 107.39 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.519 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.7 t -108.45 127.57 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.93 -175.383 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HA ' HG11 ' A' ' 25' ' ' VAL . 5.7 p90 -146.71 158.83 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.863 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p -100.21 141.91 32.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.676 0.274 . . . . 0.0 110.496 177.462 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.79 24.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 112.225 -175.512 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.461 HG21 HD13 ' A' ' 132' ' ' LEU . 36.5 p -121.61 -31.53 3.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.983 0.421 . . . . 0.0 110.541 174.489 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -94.12 99.36 11.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.392 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -74.54 -19.7 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.017 -175.724 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.99 -43.39 95.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.502 176.06 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -64.06 -33.99 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.338 177.31 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.57 -17.18 63.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.364 0.602 . . . . 0.0 110.835 176.645 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -89.7 -28.54 19.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.521 0.677 . . . . 0.0 109.709 175.845 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.21 -20.48 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.579 -179.047 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 2.5 p -62.08 -31.67 72.13 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 111.518 179.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.77 88.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.042 0.449 . . . . 0.0 109.937 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.36 -45.65 92.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.753 178.245 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.643 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 16.9 m-85 -57.51 -49.11 77.37 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.188 -179.424 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -56.31 -51.17 69.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.653 -179.166 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.79 -37.17 83.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.576 -179.364 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.94 -35.74 81.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.224 0.535 . . . . 0.0 110.081 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.3 mt -61.05 -40.11 84.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.964 178.597 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -77.94 -38.68 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.77 178.623 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -57.65 -41.39 81.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 111.556 -177.619 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.2 m -82.22 -8.83 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.82 -178.414 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 37.8 mtmm -138.38 -112.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.193 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.5 11.36 3.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.326 0.65 . . . . 0.0 111.412 -176.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -129.22 2.97 5.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.956 -176.297 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.35 -78.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.418 -177.295 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.409 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 27.1 t70 -156.98 -80.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.426 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 74.2 mmtt -144.44 136.27 25.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 110.437 -176.907 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.38 111.15 36.78 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.785 -177.296 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 83.6 Cg_endo -89.51 138.72 3.23 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 123.035 2.49 . . . . 0.0 112.445 176.134 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.01 133.33 49.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 111.249 -178.501 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.7 tp -128.2 123.3 33.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.511 175.348 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 HD12 ' A' ' 91' ' ' LEU . 12.3 t -92.73 129.08 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.822 -178.715 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.25 124.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.538 -176.26 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.82 112.62 4.05 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.422 178.034 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -101.02 157.8 16.49 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.435 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 70.37 19.06 6.56 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.064 0.546 . . . . 0.0 111.559 179.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -59.89 -18.85 47.9 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.518 0.675 . . . . 0.0 109.95 177.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.55 -22.2 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.861 175.891 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 96' ' ' THR . 92.0 mt -72.0 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.564 178.482 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 65.11 -67.37 0.13 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.61 0.764 . . . . 0.0 112.684 177.384 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.06 -34.46 78.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.036 0.446 . . . . 0.0 111.273 -177.772 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -92.3 17.09 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -177.679 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.7 113.7 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -177.6 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.55 -16.46 17.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.6 -178.218 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.73 111.34 64.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.729 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.2 Cg_exo -56.36 101.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.572 1.515 . . . . 0.0 109.636 172.364 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.8 -11.84 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.227 0.537 . . . . 0.0 110.725 -168.329 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.7 mp0 -56.48 -42.64 78.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.583 175.001 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 11.2 pt-20 -72.12 -27.59 62.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.818 0.342 . . . . 0.0 110.368 -179.703 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.79 -42.74 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.2 0.524 . . . . 0.0 110.192 176.849 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 144' ' ' ARG . 11.2 mtp180 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.29 177.257 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.2 t -64.49 -45.53 86.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 175.689 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 62.5 mmtt -61.56 -33.02 73.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.432 -177.57 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -56.57 -47.73 78.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.411 . . . . 0.0 110.494 175.605 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.48 -32.85 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.419 -179.051 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -84.73 -19.64 32.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 110.614 -179.459 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.88 30.25 18.34 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.625 -179.099 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.02 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.088 0.47 . . . . 0.0 110.674 -178.827 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.824 ' HG2' HD13 ' A' ' 124' ' ' LEU . 9.3 pm0 -118.71 149.68 41.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.661 177.129 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.2 t80 -129.11 118.94 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 178.033 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.2 130.9 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.514 -178.273 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -90.09 138.37 31.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 36.1 p -128.75 143.51 50.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.168 0.508 . . . . 0.0 111.613 -175.719 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.61 108.76 12.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.422 172.856 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.23 -7.59 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 -176.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.95 -44.9 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 0.0 110.232 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.7 p -95.03 -6.22 42.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.588 -178.342 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 60.66 70.45 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.194 -175.704 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -134.52 133.44 40.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.577 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.46 15.29 10.06 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.497 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 33' ' ' GLN . 59.6 t -73.09 -56.28 10.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.778 0.323 . . . . 0.0 110.69 -178.303 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.83 -35.65 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.201 0.524 . . . . 0.0 110.763 178.725 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -53.76 -51.18 64.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.087 -176.67 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.5 m -66.57 -28.24 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -174.722 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -75.37 -56.3 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.811 176.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -61.87 -35.15 77.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.55 -175.171 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.29 -51.71 68.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 110.572 -179.862 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.0 tp -65.24 -40.03 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 178.581 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 64' ' ' ILE . 64.8 mtp -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.498 -179.859 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.71 -46.72 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.314 -0.155 . . . . 0.0 111.03 178.294 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.64 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.702 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 172' ' ' LEU . 68.8 mt -57.79 -30.61 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 181' ' ' MET . 56.6 mtm180 -59.97 -51.66 68.72 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.468 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.7 m -59.0 -39.3 81.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.032 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.792 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -64.96 -51.83 59.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.3 178.663 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 12' ' ' LEU . 29.1 mtpp -70.53 -26.2 63.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.504 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.423 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.1 mtt . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.551 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.923 0.392 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -61.73 -31.84 72.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.138 -178.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -54.48 -55.16 31.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.075 -179.777 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 394' ' ' THR . 50.0 mm -60.28 -50.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.421 178.27 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.96 -34.22 77.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.208 -177.469 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.1 mt-10 -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 0.0 110.231 176.495 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 47.1 mt-10 -74.11 -33.51 63.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.293 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 398' ' ' ILE . 81.9 mt -57.86 -53.81 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.563 176.765 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 403' ' ' ARG . 43.7 mtp180 -61.94 -33.29 74.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.8 179.447 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 67.7 ttt180 -58.05 -50.48 73.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.9 177.426 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.616 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -76.51 -27.54 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 35.8 mt-10 -59.95 -47.67 84.83 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 173.339 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.29 -48.84 80.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.934 176.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.8 mt -60.26 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -177.529 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.456 HD13 HG13 ' B' ' 432' ' ' VAL . 35.0 tp -66.49 -37.36 84.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.468 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 -45.92 88.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.465 -179.72 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -60.77 -50.08 74.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.854 -178.79 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 92.9 mt -62.39 -31.65 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.147 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.612 ' CE1' HG12 ' A' ' 78' ' ' ILE . 7.0 m-70 -70.48 -48.32 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.989 177.499 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.79 -33.67 75.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.238 -179.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.2 -54.68 42.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.726 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 20.5 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.383 -179.116 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -21.93 65.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.991 179.379 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.29 -9.38 73.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.539 179.239 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 108.0 -1.39 33.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.542 179.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.726 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 26.0 mt -92.74 146.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.745 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.488 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -155.9 150.73 26.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.507 0.67 . . . . 0.0 111.397 175.148 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.439 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 17.3 t70 -149.21 149.08 30.41 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 171.461 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.516 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 2.7 pt? -61.22 -26.59 67.85 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.314 -177.099 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.0 m -65.29 -34.73 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 178.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 6.9 mttt -73.16 -42.4 62.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 -176.66 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 26.4 mt-10 -60.05 -48.44 81.72 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.009 -176.503 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -69.41 -41.56 76.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.253 -178.27 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.545 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.4 tpt180 -67.34 -32.08 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.316 179.431 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.1 mt -56.42 -47.35 79.24 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.038 177.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.531 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 49.5 m95 -70.03 -35.61 74.43 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.546 178.411 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 51.2 mt-10 -63.25 -54.61 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -60.6 -35.15 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.548 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.29 -48.1 77.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.494 175.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 16.1 mtp180 -63.39 -35.31 80.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.254 179.157 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 432' ' ' VAL . 28.9 mt -74.63 -45.5 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -178.079 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -56.92 -42.51 80.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.979 178.198 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 -35.5 63.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.79 0.328 . . . . 0.0 111.14 -177.668 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.36 80.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.284 0.564 . . . . 0.0 109.88 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -34.61 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.536 177.211 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.51 -35.88 80.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.94 0.4 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.14 -45.68 84.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.545 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.2 mmmt -58.5 -35.92 72.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.345 178.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.414 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -63.31 -48.31 78.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.708 0.29 . . . . 0.0 110.971 178.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -82.49 -1.96 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.27 0.557 . . . . 0.0 110.47 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.62 -24.88 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.925 178.893 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.563 179.954 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 180' ' ' LYS . 25.1 mt . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.898 0.38 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -0.73 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.014 -171.114 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.68 123.2 48.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.38 178.922 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' ND1' ' HG3' ' A' ' 173' ' ' MET . 47.1 m-70 -134.1 123.4 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 -177.145 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 15.6 mmtp -105.76 115.53 30.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.48 . . . . 0.0 111.399 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.84 116.02 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.096 179.346 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.763 -178.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 90' ' ' LEU . 90.5 mtp -95.41 108.52 20.73 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.619 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 35.1 m -104.8 160.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.813 -173.851 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.2 161.03 22.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.411 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -86.9 109.33 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.211 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 -102.48 1.11 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.6 -176.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.97 86.05 0.19 Allowed Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.233 178.387 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.69 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.9 t -88.16 41.6 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.734 0.778 . . . . 0.0 109.957 177.299 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.19 77.66 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.051 -179.565 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -83.29 17.04 2.21 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.876 0.338 . . . . 0.0 111.835 -174.903 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -117.78 -15.64 10.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.237 171.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.52 -54.56 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -176.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 165' ' ' VAL . 80.9 mt -61.54 -32.79 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -65.29 -36.9 85.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.193 -178.05 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.2 tm? -74.32 -40.28 62.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.433 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.677 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.8 mm-40 -55.07 -50.71 68.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.161 176.47 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' HE2' HD13 ' A' ' 64' ' ' ILE . 49.9 t80 -73.21 -0.86 15.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.579 -179.604 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 50.4 ttm -105.39 -53.06 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.942 -0.474 . . . . 0.0 111.721 -177.531 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' GLU . 57.2 m-85 -116.62 8.2 13.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.337 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.9 m-20 73.24 -28.25 0.19 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.533 0.733 . . . . 0.0 112.492 176.174 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 36' ' ' TYR . 15.7 mm-40 -97.32 -178.69 4.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 -175.158 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' HA ' HE22 ' A' ' 33' ' ' GLN . 80.2 t80 -74.32 148.8 41.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.044 -174.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 32' ' ' LEU . 3.4 p -74.41 106.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.892 -176.855 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -90.03 -43.95 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.483 175.293 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -156.43 158.63 37.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.423 177.661 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 11.1 t80 -155.61 91.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.7 mt-10 -61.28 -56.46 33.88 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.59 -174.554 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 41.6 Cg_endo -68.14 103.22 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.629 1.553 . . . . 0.0 110.988 178.122 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -157.41 -22.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -171.807 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.95 -59.24 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.649 -178.032 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.89 -17.4 5.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.5 173.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 1.5 m-20 -81.62 143.99 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.334 -178.515 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 67.5 m -137.24 155.45 49.48 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.095 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.512 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 34.9 t80 -127.6 117.5 22.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 110.528 -174.268 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.67 161.71 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.391 -179.304 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 166.61 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.621 179.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -93.25 115.95 28.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 -178.634 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' HB ' ' A' ' 62' ' ' VAL . 30.7 m -118.3 147.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.11 178.397 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLU . 74.8 t -133.44 113.76 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.023 0.439 . . . . 0.0 111.428 179.496 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.3 mt -88.61 99.46 12.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 163.871 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -5.39 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.396 1.685 . . . . 0.0 113.734 -167.569 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.66 -79.52 0.2 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.478 -0.868 . . . . 0.0 113.204 -179.839 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.68 138.92 33.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.659 0.266 . . . . 0.0 111.237 -172.403 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' HG22 ' A' ' 56' ' ' VAL . 43.0 mt-10 -77.98 105.99 9.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.216 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.403 ' HB ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -106.01 142.09 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -169.839 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -112.43 115.86 29.38 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.519 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 34' ' ' PHE . 12.4 tt -104.0 110.85 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-O 121.852 0.834 . . . . 0.0 109.329 179.658 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.614 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 21.1 t0 -95.59 109.54 21.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.947 -174.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.539 HG21 HG23 ' A' ' 31' ' ' THR . 48.6 mm -109.12 121.97 63.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.31 -175.638 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.0 tp -97.87 121.86 40.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.375 -178.32 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -105.7 150.52 25.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 170.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 p -141.65 160.59 39.86 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -166.16 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.49 120.01 22.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.188 170.103 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.48 70.47 2.8 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.328 -176.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -155.63 168.8 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.688 0.28 . . . . 0.0 110.737 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.14 -18.73 31.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.754 -174.928 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.492 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -55.48 -67.03 0.32 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.725 0.774 . . . . 0.0 110.596 178.459 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' ILE . 84.3 m-85 -83.8 61.44 6.36 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.831 -178.644 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.63 -23.95 60.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.605 175.277 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.6 -6.16 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.62 178.491 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 75' ' ' TYR . 44.3 mt -101.14 -21.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.006 0.432 . . . . 0.0 110.025 176.372 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.93 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.794 179.483 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 8.0 t70 -62.4 -51.38 67.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.297 0.57 . . . . 0.0 111.345 -175.322 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.568 ' HB3' HD12 ' B' ' 429' ' ' LEU . 87.0 m-20 -68.58 -19.84 64.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.559 -170.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.33 -38.23 11.6 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.196 177.219 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.9 m-85 -54.8 -31.59 59.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.882 0.372 . . . . 0.0 111.572 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 29.5 mmt180 -52.57 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.975 -175.892 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.494 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.8 m -86.29 29.33 0.76 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.4 151.29 19.96 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.483 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.1 mt-10 -103.13 -74.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.411 177.802 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.69 148.02 18.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.226 -177.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -125.25 127.31 46.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.083 0.468 . . . . 0.0 111.411 -178.064 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 124' ' ' LEU . 73.8 mt -98.12 110.15 22.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.054 175.682 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 104' ' ' THR . 11.1 mp -92.19 106.99 18.89 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -108.02 134.95 48.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.982 0.42 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HA ' HG11 ' A' ' 25' ' ' VAL . 29.9 p90 -142.54 147.65 36.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.92 178.062 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.5 t -83.96 138.13 33.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.701 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -68.89 -3.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.702 0.287 . . . . 0.0 111.749 -179.721 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.527 ' CG2' HD22 ' A' ' 132' ' ' LEU . 12.1 p -87.56 -17.6 31.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.28 171.076 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.744 -173.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.22 -25.82 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.343 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.96 -46.1 69.01 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.04 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.5 m -65.3 -31.15 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.275 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -62.59 -43.78 97.96 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 173.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -68.84 -27.75 66.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.7 62.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.899 -178.648 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.421 ' CB ' HD23 ' A' ' 91' ' ' LEU . 49.5 p -58.82 -33.97 70.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.781 177.366 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.94 84.12 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 177.305 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.77 -47.98 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.441 178.753 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.538 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.7 m-85 -58.27 -46.26 86.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.35 177.26 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.65 -51.03 68.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -178.516 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.14 -37.48 87.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.349 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.8 0.333 . . . . 0.0 110.212 178.707 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 107' ' ' PHE . 99.2 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.647 178.39 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 10.6 mp -66.71 -37.41 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 178.576 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -61.35 -37.98 85.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.746 0.308 . . . . 0.0 111.313 -178.04 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.734 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.0 m -95.48 -3.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.712 -175.807 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.734 ' HG3' HG23 ' A' ' 114' ' ' VAL . 26.4 mtpp -133.99 -90.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.33 -0.231 . . . . 0.0 110.691 -177.748 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 65.76 -61.05 0.27 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.508 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.51 36.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.813 0.445 . . . . 0.0 111.262 -173.544 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.611 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 4.5 mm-40 -99.69 -172.12 2.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.609 -173.73 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.59 -71.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.9 175.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -144.95 133.41 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.8 mt -111.73 101.5 51.36 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.36 179.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 0.9 OUTLIER -84.51 123.55 2.97 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.276 2.651 . . . . 0.0 112.533 179.141 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.76 159.14 19.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.617 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 153' ' ' GLN . 8.0 tp -150.62 121.33 7.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.613 174.37 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.442 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.3 t -97.47 117.82 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.537 -179.665 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.607 ' HB ' HG12 ' A' ' 92' ' ' VAL . 22.8 t -109.78 132.33 58.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.874 -173.511 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.7 94.54 2.0 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.145 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -82.45 164.84 20.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.79 0.329 . . . . 0.0 111.347 -175.598 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm 70.41 28.12 3.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.594 170.555 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -72.02 84.18 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.596 0.712 . . . . 0.0 109.505 178.064 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 160' ' ' LYS . 13.5 t70 -154.87 -39.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.756 -176.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -60.68 -29.64 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.839 176.472 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 49.21 -68.83 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.448 1.499 . . . . 0.0 114.761 -177.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 132' ' ' LEU . 11.3 pt-20 -75.98 -22.63 55.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 118.086 0.403 . . . . 0.0 111.129 -170.829 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 99.7 mtt180 -83.78 12.18 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.248 -178.344 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.647 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 41.8 ttm105 -64.41 112.48 3.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.267 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -101.96 -11.55 18.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 -175.31 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.3 p -114.73 113.5 44.79 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.961 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.61 129.45 33.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.377 2.051 . . . . 0.0 111.397 177.297 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.8 t -60.26 -19.44 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.005 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.55 -56.3 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.051 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.3 -28.29 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -178.143 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.2 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 176.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 79.1 mtp180 -69.38 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.115 179.163 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -56.08 -56.77 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 174.818 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -59.4 -39.02 82.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.732 -178.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.08 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 175.537 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.95 -37.35 84.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.771 179.338 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.02 -37.65 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 179.35 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -88.5 -7.06 57.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 -178.059 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.52 52.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.184 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.52 177.56 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.702 0.287 . . . . 0.0 111.147 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.644 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.5 pt20 -98.81 161.4 13.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.826 178.198 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.442 ' CE2' HG13 ' A' ' 140' ' ' VAL . 91.6 t80 -131.92 121.59 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 175.149 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.26 134.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.272 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.17 135.0 33.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 174.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 40.2 p -118.82 145.3 45.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.22 0.533 . . . . 0.0 110.873 -177.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.2 p -126.83 113.39 16.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.159 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.76 1.17 31.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.518 0.675 . . . . 0.0 109.728 176.386 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 131' ' ' ASP . 21.5 tptm -80.11 -68.74 0.65 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.206 178.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.0 p -93.7 0.23 56.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.301 -179.281 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 60.48 75.21 0.42 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.333 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.77 129.56 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.445 177.455 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 69.43 4.31 4.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.877 0.735 . . . . 0.0 111.794 177.869 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.442 HG13 HD22 ' A' ' 30' ' ' LEU . 95.8 t -65.18 -49.7 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -177.223 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.03 -23.42 58.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -177.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.85 -54.52 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.601 -176.927 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.33 -28.2 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.281 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -74.71 -48.03 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 177.164 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.61 -45.13 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.408 -178.576 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.8 70.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.749 -177.823 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.04 -36.16 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 -177.106 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.436 ' HG3' ' ND1' ' A' ' 15' ' ' HIS . 10.7 ttp -70.08 -31.3 68.82 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -178.836 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.728 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 6.6 mmt180 -63.95 -41.6 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.908 176.574 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -59.75 -32.35 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.132 177.249 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.3 mt -58.06 -36.49 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -178.602 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.728 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 20.6 ptt180 -68.11 -32.34 72.58 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 -179.036 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.0 m -70.55 -36.09 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -66.33 -39.17 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.194 175.192 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 66.2 mmtt -62.69 -54.64 36.3 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 110.768 177.334 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.958 -174.352 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.598 ' O ' HG12 ' B' ' 398' ' ' ILE . 51.3 m . . . . . 0 C--O 1.231 0.092 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 34.4 tt0 -55.01 -41.21 71.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.124 0.487 . . . . 0.0 110.221 178.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.14 87.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.314 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.44 94.78 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.019 178.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 394' ' ' THR . 37.9 mm -58.27 -55.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.128 175.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' B' ' 402' ' ' ILE . 52.4 mtpt -60.92 -42.09 97.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.91 -174.44 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.8 mm-40 -64.22 -39.21 93.49 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.295 -178.709 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' B' ' 439' ' ' LEU . 3.1 mm-40 -71.5 -36.9 71.26 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.523 175.703 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.708 HG12 ' HB3' ' B' ' 439' ' ' LEU . 97.1 mt -53.94 -54.21 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 172.739 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' B' ' 400' ' ' GLU . 44.5 mtm180 -62.77 -30.05 71.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -178.882 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.508 ' HD2' ' OE1' ' B' ' 401' ' ' GLU . 22.6 ttm180 -71.41 -44.73 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 178.393 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 83.6 mm-40 -71.41 -34.11 70.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.27 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG2' HD21 ' B' ' 436' ' ' LEU . 98.2 mt-10 -62.7 -40.17 96.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.211 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.16 -44.4 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.701 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.9 mt -60.63 -45.46 93.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.296 177.63 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 15.0 tp -65.2 -45.63 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 0.0 109.708 179.194 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -56.34 -52.43 64.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.217 178.007 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -40.05 96.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.906 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' B' ' 429' ' ' LEU . 0.5 OUTLIER -52.62 -50.72 62.53 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.196 0.522 . . . . 0.0 110.397 170.766 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 75.1 m-70 -67.83 -32.99 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.185 -177.415 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -75.71 -44.7 40.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -179.309 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.34 -46.44 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.483 0.658 . . . . 0.0 110.945 -177.139 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' B' ' 425' ' ' LYS . 69.7 mt -73.66 -25.77 60.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.914 -176.097 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 22.6 tt0 -54.11 -25.21 20.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.121 0.569 . . . . 0.0 112.233 -173.857 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.39 -5.17 85.44 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.252 -178.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.74 27.85 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.73 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 60.1 mt -99.58 131.48 46.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.557 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -134.0 145.34 49.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.774 0.797 . . . . 0.0 112.41 -177.244 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.6 t70 -149.8 170.57 18.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.161 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.79 -29.9 66.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.482 0.658 . . . . 0.0 109.236 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 7.4 m -66.02 -39.48 90.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.53 -177.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.97 -38.98 89.95 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.066 -172.544 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.9 pt-20 -73.31 -40.48 64.47 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.782 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -63.24 -42.18 99.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 176.682 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.56 -42.37 82.72 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.324 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' B' ' 412' ' ' LEU . 7.5 mt -56.03 -51.82 66.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -178.24 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 77.9 m95 -65.48 -31.46 72.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 178.264 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.923 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 42.3 tt0 -65.85 -49.34 68.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 178.439 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 37.7 t -57.39 -41.55 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.485 0.659 . . . . 0.0 109.414 177.093 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.628 HE21 ' HB ' ' B' ' 437' ' ' THR . 19.6 tp60 -56.77 -43.0 80.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.697 178.076 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.923 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 55.3 mtp180 -55.5 -51.73 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.408 0.623 . . . . 0.0 110.375 179.294 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 432' ' ' VAL . 5.7 mt -64.65 -50.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.544 -177.323 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 23.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.559 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.628 ' HB ' HE21 ' B' ' 433' ' ' GLN . 5.6 t -66.39 -37.59 85.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -175.563 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.43 -35.97 76.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.36 0.6 . . . . 0.0 109.913 176.467 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.708 ' HB3' HG12 ' B' ' 402' ' ' ILE . 4.6 mp -65.94 -37.67 86.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.519 177.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 68.2 mmtt -59.05 -43.56 91.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.653 0.74 . . . . 0.0 109.336 175.349 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -62.85 -47.88 81.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.179 177.751 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.8 mmmt -65.57 -25.0 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.299 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.632 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.3 tp -62.3 -44.34 96.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.025 0.44 . . . . 0.0 110.178 172.723 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -81.99 -5.65 58.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 110.454 178.761 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' B' ' 442' ' ' LYS . 1.8 tp10 -80.73 -35.66 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.971 177.383 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.439 ' HB3' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.654 -177.351 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt . . . . . 0 N--CA 1.469 0.504 0 CA-C-O 120.707 0.289 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 63.15 17.04 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.461 0.705 . . . . 0.0 112.801 175.05 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' HE3' ' A' ' 16' ' ' LYS . 30.2 tp -122.61 127.66 49.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.108 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 93.0 m-70 -137.46 138.72 40.05 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.954 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -130.36 127.03 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.467 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -136.47 140.48 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -120.2 137.69 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.2 mmm -88.65 124.72 34.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.808 179.211 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD23 ' A' ' 91' ' ' LEU . 28.8 m -105.26 143.83 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 111.104 -179.081 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.17 161.38 11.11 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.114 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.435 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 12.4 t -81.44 70.47 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.501 0.651 . . . . 0.0 110.323 -175.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 -67.4 3.51 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.708 177.009 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.568 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -79.3 -105.1 0.23 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 121.392 -0.433 . . . . 0.0 112.836 -178.064 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 21.8 t 56.99 16.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 -176.722 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.68 32.65 25.26 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.531 -178.538 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 27.7 mtmm -68.13 -43.29 78.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -175.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.734 -174.608 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.94 83.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.987 -178.532 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.19 -41.97 63.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 -177.967 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.6 p -71.12 -31.34 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.039 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.2 -42.47 88.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.373 178.014 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 94.1 mt-30 -71.02 -26.52 63.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 0.0 110.968 178.179 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -72.76 -30.63 64.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 177.475 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.452 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.1 mtm -98.81 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.454 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -83.72 -26.22 29.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.001 -177.165 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.9 t0 68.3 21.21 8.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.511 -179.164 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.233 176.123 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -76.37 140.07 41.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.229 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.77 111.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.713 0.768 . . . . 0.0 112.298 -172.901 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -106.11 -39.64 5.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.528 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -149.38 96.22 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.057 176.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -167.89 91.29 0.33 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.772 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 6.6 mm-40 -103.96 -39.37 0.19 Allowed Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.559 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.772 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 3.9 Cg_endo -46.97 101.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.665 2.243 . . . . 0.0 113.194 179.112 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.05 39.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.104 176.549 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.31 -54.29 4.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.723 0.773 . . . . 0.0 108.979 -177.415 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.46 7.78 8.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.591 172.219 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.5 m-20 -79.39 121.37 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.157 -171.333 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.78 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 12.2 t -133.64 150.33 51.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.382 178.445 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -137.52 137.88 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.692 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -88.58 118.18 28.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.644 -178.122 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 60.8 tptt -103.14 128.19 50.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.607 -179.578 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -107.12 130.44 54.69 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.323 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -132.29 145.95 33.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.785 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.5 p -100.97 104.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.788 0.804 . . . . 0.0 109.482 178.148 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 tp -96.74 108.43 21.08 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.017 -175.113 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 73.63 -29.56 0.2 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.183 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.22 -42.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.805 -1.188 . . . . 0.0 113.784 -178.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.02 149.02 24.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.457 0.629 . . . . 0.0 111.081 -178.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.0 mt-10 -81.78 122.09 27.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.555 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.443 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -107.09 149.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.923 -177.187 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.83 117.77 32.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 110.922 -178.211 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.549 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.5 tt -114.68 139.46 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 -178.394 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.954 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 51.9 t0 -108.47 116.88 32.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.484 -176.02 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.9 mm -109.07 126.93 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.28 -171.758 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' B' ' 430' ' ' TRP . 3.0 mt -131.04 126.29 35.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.249 0.547 . . . . 0.0 111.312 173.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 t0 -100.58 145.46 28.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.549 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 p -124.41 151.6 44.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.302 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.53 111.2 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.379 171.453 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -83.43 63.66 4.43 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.731 -176.056 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -129.75 168.03 17.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.682 0.277 . . . . 0.0 110.977 -179.653 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.2 -12.41 54.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.4 m-20 -64.9 -78.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.345 -177.632 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.534 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.0 m-85 -85.09 81.33 8.91 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.051 -175.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.7 -18.58 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 175.626 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.836 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -70.25 -7.03 39.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.813 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.7 mt -99.51 -40.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.763 177.844 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 36.0 ptt180 -85.19 -64.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.825 -176.463 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 4.1 t70 -60.62 -43.74 97.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.818 0.818 . . . . 0.0 111.102 -177.027 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.836 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 44.7 m-80 -75.68 -27.2 58.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.41 -168.723 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.39 -34.86 15.49 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.912 175.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.662 ' HB3' HG21 ' A' ' 114' ' ' VAL . 5.7 m-30 -60.08 -22.84 63.25 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.48 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.731 HH21 ' HA ' ' A' ' 115' ' ' LYS . 3.7 mmp_? -56.78 -73.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.479 178.394 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.8 m -81.54 14.31 2.61 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.895 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' O ' ' HE2' ' A' ' 115' ' ' LYS . . . -99.66 104.07 2.79 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.637 178.53 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.47 -60.8 2.17 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.14 144.18 16.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.597 -0.811 . . . . 0.0 113.137 -174.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.99 136.92 49.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 111.067 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 20' ' ' VAL . 86.6 mt -106.25 112.75 25.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.161 175.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.571 HD23 HG21 ' A' ' 20' ' ' VAL . 58.3 mt -83.96 106.77 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.249 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.4 t -111.4 142.98 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.704 -174.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -155.65 144.51 20.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.526 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.533 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 29.6 t -83.57 138.9 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.778 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.684 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -70.35 -7.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.827 0.346 . . . . 0.0 111.622 -178.462 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 132' ' ' LEU . 16.8 p -84.83 -19.05 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.249 0.547 . . . . 0.0 109.914 173.737 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 45.4 mt-10 -103.33 100.36 10.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.326 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.12 -25.1 65.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.986 176.701 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.16 -49.2 46.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.103 -179.758 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -58.09 -36.92 73.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.723 0.297 . . . . 0.0 110.577 176.595 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.53 -40.23 93.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 176.658 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.2 m -76.0 -33.29 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.321 0.581 . . . . 0.0 110.495 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.83 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.211 -178.119 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.8 p -56.81 -37.84 71.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.0 110.494 178.661 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.1 98.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.335 177.33 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.44 -45.73 91.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.939 178.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.1 m-85 -58.69 -49.75 76.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.58 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 108' ' ' ARG . 34.8 ttt180 -53.78 -54.28 40.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.964 -178.347 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.53 -28.62 67.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.085 -176.98 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.1 -35.47 74.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.452 . . . . 0.0 110.027 178.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.2 mt -62.44 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.416 175.598 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.54 -26.11 68.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 177.734 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.58 -49.09 28.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 177.409 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 83' ' ' PHE . 27.0 m -74.88 -23.94 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.806 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.768 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 38.4 mttm -106.55 -85.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.65 -73.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.682 0.793 . . . . 0.0 113.07 -178.851 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.39 59.1 5.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.503 . . . . 0.0 111.334 -174.59 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.768 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 14.5 mm-40 -114.9 -170.37 1.73 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -77.57 -71.93 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 172.466 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 31.8 mmmt -143.28 153.44 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.5 mt -122.35 105.94 36.04 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.378 -0.374 . . . . 0.0 109.992 177.594 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HB2' HD11 ' A' ' 172' ' ' LEU . 55.8 Cg_endo -90.72 132.93 1.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.268 2.646 . . . . 0.0 112.667 179.526 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.539 HD23 HD11 ' A' ' 91' ' ' LEU . 5.6 mp -129.0 142.41 50.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 111.09 -178.598 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.93 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.4 tp -136.17 125.07 24.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.24 174.453 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 124' ' ' LEU . 15.3 t -92.58 125.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.959 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.7 t -118.14 116.4 51.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.947 -176.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.48 102.23 2.89 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 173.15 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 157' ' ' THR . 32.9 p-10 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.464 0.649 . . . . 0.0 112.353 -168.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 131' ' ' ASP . 54.6 mttt 70.28 57.36 0.27 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.299 177.122 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -78.74 15.79 0.99 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.271 0.558 . . . . 0.0 110.096 176.4 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 129' ' ' LYS . 18.7 t70 -75.5 -25.08 56.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.563 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -73.06 -57.8 3.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.414 177.476 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 65.26 -67.02 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.765 0.826 . . . . 0.0 112.279 -179.465 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.885 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.0 pt-20 -57.74 -29.38 64.72 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.083 0.468 . . . . 0.0 111.957 -176.617 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.885 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 74.8 mtt180 -100.28 17.77 20.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.655 -171.823 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.68 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 35.4 ttm180 -63.93 111.97 2.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.274 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -86.13 -33.58 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.057 -172.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.87 122.42 42.54 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.468 179.424 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.17 113.27 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.409 2.073 . . . . 0.0 111.314 176.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -72.27 -12.02 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.085 0.469 . . . . 0.0 110.795 -171.889 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.46 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.544 177.63 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.37 -20.59 54.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.69 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.41 80.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 109.939 175.394 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 69.2 mtp180 -68.03 -32.56 73.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.804 176.152 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.8 t -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.453 177.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.85 -40.27 94.75 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 175.599 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.63 -37.93 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 176.517 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.4 -42.26 96.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.051 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.25 -40.43 90.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.968 179.596 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -85.76 -5.67 59.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 0.0 111.407 -175.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.95 35.94 80.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.185 -179.21 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 -174.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.751 0.31 . . . . 0.0 110.244 -178.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.93 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.3 pm0 -113.39 154.26 27.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 176.758 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -123.95 125.69 45.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.979 178.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.3 t -132.32 129.33 59.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -178.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.79 125.94 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.917 0.389 . . . . 0.0 110.562 175.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.602 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 93.1 m -125.47 137.47 53.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.578 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.06 110.95 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 -178.314 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.71 -14.43 59.95 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.417 -178.521 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -78.49 -4.55 49.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.741 -176.555 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 7.1 0.79 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.868 -177.719 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 62.94 33.8 14.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.267 175.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.91 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.527 -176.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 67.24 18.17 10.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.745 175.187 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 -47.34 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.083 0.468 . . . . 0.0 110.647 -177.688 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -76.29 -27.4 56.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.976 -178.218 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.27 -50.08 70.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.795 -177.428 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.0 -32.72 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.32 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -73.35 -55.95 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.375 -179.517 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 52.9 m-85 -61.91 -31.75 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 -176.643 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -51.92 62.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -178.894 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.6 tp -67.93 -31.25 70.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.316 0.579 . . . . 0.0 110.253 -179.783 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.549 ' SD ' HD12 ' A' ' 64' ' ' ILE . 67.4 mtp -62.17 -32.04 72.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.487 179.186 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 24.6 mmt180 -61.33 -49.82 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.814 179.701 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.776 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 8.6 mm-40 -57.24 -35.88 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.426 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 65.0 mt -55.33 -27.42 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.902 0.382 . . . . 0.0 111.579 -175.074 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -70.23 -51.89 27.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 0.0 110.274 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.5 m -65.45 -30.74 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.504 -174.306 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.776 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 59.1 mmtt -64.55 -39.8 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -74.14 -33.01 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.36 -179.69 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.562 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.495 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 17.0 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 121.561 0.696 . . . . 0.0 109.763 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -61.84 -26.77 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.38 21.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.55 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.36 -32.42 83.56 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.881 179.017 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 394' ' ' THR . 45.0 mm -64.11 -46.22 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.52 -38.89 92.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.5 0.191 . . . . 0.0 111.233 -179.367 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.37 -45.5 93.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 109.755 175.315 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.92 -44.5 80.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.287 -178.896 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.601 ' HA ' HD23 ' B' ' 439' ' ' LEU . 65.1 mt -54.13 -53.68 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.988 177.016 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -59.93 -33.56 72.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 0.0 111.019 -179.312 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -63.21 -47.41 82.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.77 176.311 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.672 HE21 HG23 ' B' ' 432' ' ' VAL . 16.2 mm100 -76.75 -31.58 57.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.662 -177.145 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.4 mt-10 -65.57 -36.29 83.34 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.044 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -67.98 -39.21 83.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.482 176.648 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 64.6 mt -60.49 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 175.031 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.0 tp -61.79 -43.64 98.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.554 0.692 . . . . 0.0 109.313 178.224 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.62 -44.17 80.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.789 176.336 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 13.3 t -62.36 -53.17 58.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.917 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -53.26 -41.97 66.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 110.776 176.043 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.648 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.0 m-70 -65.88 -32.25 73.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.668 178.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -79.46 -51.88 8.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.724 0.297 . . . . 0.0 111.662 177.496 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.9 -55.0 29.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.999 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' B' ' 425' ' ' LYS . 3.1 mp -65.52 -25.55 67.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.427 -175.677 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.648 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.5 tt0 -61.96 -18.29 59.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.195 -177.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.88 -6.78 73.89 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.653 179.566 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.73 14.51 40.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.17 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.16 124.72 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.751 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.4 pttp -126.79 144.3 51.0 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.346 1.07 . . . . 0.0 113.019 -178.232 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 13.0 t70 -150.46 170.35 19.29 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.045 178.517 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 3.7 mm? -73.74 -35.04 64.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 171.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 70.4 m -65.37 -32.06 73.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.545 -178.73 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.0 OUTLIER -71.6 -35.98 70.68 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.271 -172.733 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.62 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 13.1 pt-20 -72.31 -42.8 65.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.145 178.21 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.21 -49.48 77.45 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 179.016 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.413 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.9 tpt180 -62.23 -39.81 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.772 -177.014 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -60.88 -55.81 28.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.104 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 74.6 m95 -63.11 -37.03 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.63 179.303 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.89 -55.57 32.56 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -176.859 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.672 HG23 HE21 ' B' ' 405' ' ' GLN . 7.6 p -63.15 -33.41 60.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.78 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 37.3 tp60 -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.944 178.106 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.648 ' HA ' HG22 ' B' ' 437' ' ' THR . 1.9 mpt_? -65.21 -34.92 79.5 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.355 -176.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 432' ' ' VAL . 54.6 mt -61.13 -43.28 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 175.157 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' B' ' 406' ' ' GLU . 46.9 tp -65.23 -46.11 81.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.004 178.428 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.648 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.3 t -65.85 -35.91 81.98 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.946 0.403 . . . . 0.0 110.404 -176.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.55 -36.13 78.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.956 0.408 . . . . 0.0 109.958 173.905 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.1 mp -65.89 -34.73 78.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.619 178.736 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -65.81 -36.39 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.317 0.58 . . . . 0.0 109.762 175.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.32 -41.08 85.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.049 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.5 mmmt -58.05 -36.72 73.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.998 175.087 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' B' ' 402' ' ' ILE . 56.0 tp -60.91 -40.32 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.853 177.583 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -79.16 -12.29 59.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 179.191 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.58 -20.9 17.38 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -178.675 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.876 -173.084 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.601 0.238 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.89 3.74 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.325 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -139.94 106.97 5.43 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.048 179.029 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.64 151.69 29.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.139 -173.087 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 2.2 mmtp -118.38 122.69 43.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.765 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' ILE . 69.4 t -116.19 118.86 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.398 . . . . 0.0 110.861 179.718 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.58 126.65 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.322 179.16 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.805 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 62.6 mtt -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 176.032 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 91' ' ' LEU . 33.6 m -110.98 177.14 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.211 175.3 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.81 160.36 9.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.118 -0.563 . . . . 0.0 111.981 178.815 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -83.54 45.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.938 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.91 -56.03 0.75 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.11 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.72 111.88 0.33 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.0 t -88.95 -68.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.937 0.399 . . . . 0.0 110.312 176.916 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.87 34.88 1.98 Allowed Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.208 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.805 ' HE3' ' HB2' ' A' ' 19' ' ' MET . 26.2 mttp -58.71 -74.81 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 111.102 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 16.9 p -69.11 -11.92 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.184 -175.701 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.95 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.458 . . . . 0.0 110.357 175.072 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.76 -38.98 67.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 69.8 p -67.0 -40.35 87.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.505 -176.886 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.12 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.082 178.367 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -65.03 -40.95 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 110.292 174.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 53' ' ' LYS . 64.6 t80 -72.72 -22.9 60.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.531 -177.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 67.5 mtm -104.93 -53.75 2.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -102.37 -11.72 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.486 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 67.01 32.09 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.787 0.803 . . . . 0.0 110.236 -178.098 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -135.0 142.24 46.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.101 -178.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -78.52 144.12 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.484 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.35 116.39 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.804 0.812 . . . . 0.0 112.569 -176.002 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -117.78 -44.12 2.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.675 171.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -127.1 107.62 10.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.749 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -169.71 91.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.739 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.543 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.7 mm-40 -74.57 -51.16 4.25 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.561 -177.776 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 9.3 Cg_endo -52.77 106.68 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 111.712 177.294 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -158.21 1.5 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.097 -176.187 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.52 -54.55 4.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -125.48 -40.85 2.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.125 176.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' OD2' ' HE3' ' B' ' 440' ' ' LYS . 16.1 t70 -59.07 122.11 12.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -174.876 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -134.15 -175.47 3.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.101 -176.614 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 8.4 t80 -143.21 146.85 34.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -176.124 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -92.62 140.72 29.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.552 178.072 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HG2' ' CE2' ' A' ' 34' ' ' PHE . 48.9 tptt -116.69 136.78 52.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -177.248 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 19.5 mttp -97.78 131.06 44.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.124 0.488 . . . . 0.0 110.554 170.864 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.23 145.47 30.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.88 176.676 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 61' ' ' GLU . 2.1 p -138.62 108.64 4.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 121.321 0.582 . . . . 0.0 110.643 177.131 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -93.28 96.94 10.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.912 179.193 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 39.69 67.75 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.368 1.043 . . . . 0.0 111.871 -178.637 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.22 -122.71 0.94 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.968 -179.859 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -113.25 162.93 15.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.162 0.481 . . . . 0.0 110.112 -177.603 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 46.7 mt-10 -59.74 119.35 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.316 0.579 . . . . 0.0 111.955 -176.303 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 t -107.63 148.61 11.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.067 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -117.15 140.05 50.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.38 0.609 . . . . 0.0 112.057 -176.7 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 17' ' ' VAL . 4.8 tt -134.73 125.87 46.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.188 -179.41 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -94.02 128.43 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.473 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -108.15 129.75 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.364 -177.727 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.65 124.68 51.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.029 0.443 . . . . 0.0 111.814 -177.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.3 t0 -94.71 158.54 15.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 171.815 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.0 p -142.67 141.86 31.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.771 0.32 . . . . 0.0 111.819 -171.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' A' ' 78' ' ' ILE . . . -78.58 96.47 5.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 165.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.21 71.07 1.79 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.056 -175.422 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -149.94 173.39 13.86 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.54 -20.05 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.581 -173.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.2 m-20 -60.11 -67.24 0.41 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.204 0.526 . . . . 0.0 110.942 179.355 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -80.41 63.88 5.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.313 -178.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.84 63.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.744 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -58.1 -23.77 56.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.997 176.556 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.667 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 33.9 mt -93.24 -21.84 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.623 -179.053 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -83.51 -63.48 1.35 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.725 179.049 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.52 ' HA ' HG11 ' A' ' 114' ' ' VAL . 20.9 m-20 -68.06 -57.96 5.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.201 0.524 . . . . 0.0 111.808 -172.434 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.744 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 13.2 m-80 -71.17 -40.08 71.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.243 -168.544 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.667 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 11.5 m-85 -72.25 -25.91 61.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.554 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' A' ' 114' ' ' VAL . 5.8 m-30 -75.15 -5.73 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 111.436 -177.665 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -70.06 -63.44 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 14.02 4.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -171.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.41 135.44 12.19 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.645 177.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 2.1 mt-10 -80.39 -69.42 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.853 0.327 . . . . 0.0 111.259 -177.803 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.62 152.22 19.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.064 -174.115 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.2 m-85 -128.2 135.96 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 -178.152 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 93.6 mt -106.69 115.42 30.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.018 177.219 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HG22 ' A' ' 20' ' ' VAL . 40.5 mt -83.71 106.41 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.031 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 126' ' ' VAL . 40.3 t -109.91 127.68 66.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.409 -173.162 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.439 ' HA ' HG21 ' A' ' 25' ' ' VAL . 43.9 p90 -138.96 175.37 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.026 176.159 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.88 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 43.3 t -122.84 151.33 41.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.301 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.83 1.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -177.573 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.594 ' CG2' HD13 ' A' ' 132' ' ' LEU . 31.8 p -108.98 -29.99 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.278 0.561 . . . . 0.0 109.907 169.84 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.88 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.0 mm-40 -82.35 77.07 9.18 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.801 179.78 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -65.91 -26.05 67.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 -177.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.51 -44.55 90.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.495 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.9 m -66.56 -32.41 73.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 176.966 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.9 -43.68 98.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 177.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -77.25 -30.2 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 110.921 179.038 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.47 62.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.191 -178.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.583 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -53.95 -33.17 56.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.927 0.394 . . . . 0.0 111.263 178.45 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.34 88.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.778 177.799 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.18 -40.02 93.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 178.448 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 22.7 m-85 -57.39 -45.03 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.66 -177.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.01 -54.04 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 110.257 179.092 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.27 -28.65 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.14 -33.95 72.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.001 179.359 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.2 mt -71.8 -40.99 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.15 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.622 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.2 mp -71.71 -11.13 60.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.145 0.498 . . . . 0.0 111.056 176.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -79.4 -26.26 41.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.273 177.152 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 80' ' ' ASP . 17.6 m -110.85 -23.23 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.63 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 43.4 mtmt -137.88 135.94 36.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.133 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.54 -76.18 0.48 Allowed 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.456 178.75 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.26 35.09 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -173.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -58.39 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -171.5 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.377 176.214 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.581 ' HG3' ' HD2' ' A' ' 179' ' ' LYS . 35.7 mmtm -144.43 150.33 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 175.271 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 111' ' ' ILE . 62.9 mt -120.61 92.29 47.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.043 178.339 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.68 125.1 10.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.079 2.519 . . . . 0.0 112.013 -178.462 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.8 mt -119.21 122.44 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.15 0.5 . . . . 0.0 111.161 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.864 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -121.29 122.82 40.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.013 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.0 t -86.67 127.18 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.161 -177.465 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.571 ' HB ' HG22 ' A' ' 92' ' ' VAL . 58.8 t -117.65 116.14 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.73 -176.72 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.05 124.53 8.16 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 175.749 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -120.36 176.23 5.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.179 0.49 . . . . 0.0 110.016 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 66.93 27.65 8.84 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 123.586 0.554 . . . . 0.0 110.837 -176.235 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -10.01 4.14 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.723 178.468 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -67.1 -20.43 65.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.909 176.023 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 96' ' ' THR . 40.1 mt -78.52 49.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.568 174.103 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.36 -25.91 68.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.041 -176.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.37 -26.18 13.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 -177.003 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -91.73 11.37 24.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.17 179.222 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.2 ttp180 -61.9 112.15 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.428 . . . . 0.0 110.332 -177.593 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -94.75 -29.23 14.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 7.2 p -111.41 121.4 40.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.328 175.734 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.91 121.3 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.662 2.241 . . . . 0.0 111.854 178.069 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.49 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.5 OUTLIER -71.16 -13.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.457 0.646 . . . . 0.0 109.702 -178.363 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.6 -49.88 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.869 176.556 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.97 -22.74 49.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.72 94.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.928 174.052 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.46 -33.35 75.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.435 174.168 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.1 t -62.79 -42.31 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.29 179.441 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -54.47 -40.03 68.04 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.15 -47.72 80.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.048 0.451 . . . . 0.0 110.725 177.245 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.78 -33.78 74.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.338 179.23 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.5 -42.0 98.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.604 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -87.44 -17.21 32.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.283 -176.85 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.67 32.45 18.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.887 -179.027 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.18 -168.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.711 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.864 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -116.74 153.68 31.96 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.588 173.889 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 41.4 t80 -133.53 125.21 28.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.396 177.477 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.76 134.39 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 -178.303 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -84.87 121.79 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.312 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.4 p -109.97 129.05 55.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 111.21 -177.147 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.4 m -112.17 99.21 7.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.892 178.558 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.63 -16.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -179.215 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -69.21 -42.51 75.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.585 -179.482 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.6 p -112.23 7.41 19.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.231 -178.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 54.7 73.29 0.41 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.121 -177.387 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.28 127.47 37.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 178.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 65.89 16.34 10.43 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.04 0.837 . . . . 0.0 111.768 178.334 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.93 -55.2 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.68 -25.23 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -179.184 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.91 -47.33 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.52 -32.52 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -69.63 -45.48 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 34.4 m-85 -68.81 -37.14 79.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.299 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.57 -51.1 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -178.596 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.62 -39.48 88.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.433 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 56.1 mtm -62.09 -31.1 71.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.419 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 8.4 mmm180 -71.29 -43.05 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.604 178.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 1.3 mt-10 -55.49 -43.53 75.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.57 176.402 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.9 mt -56.3 -47.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 123.548 0.53 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 173' ' ' MET . 69.1 mtt180 -56.15 -51.31 68.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.695 177.499 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.8 m -57.83 -38.48 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.68 -178.134 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 45.9 mmtm -64.64 -46.53 82.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.613 -179.461 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 43.4 mtpt -69.89 -31.62 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 -177.778 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.292 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' B' ' 398' ' ' ILE . 18.4 mt-30 -58.35 -32.03 68.16 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.122 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' B' ' 399' ' ' LYS . . . -65.27 -41.16 94.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.002 -176.531 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.0 -36.65 93.75 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 173.528 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.563 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.6 mm -60.71 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.195 -0.502 . . . . 0.0 109.909 174.553 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' B' ' 396' ' ' ALA . 11.6 mmmm -57.82 -44.56 86.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.552 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.33 -49.32 77.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.37 -179.351 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.702 -178.481 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.587 HG12 ' HB3' ' B' ' 439' ' ' LEU . 83.7 mt -58.64 -52.88 54.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.622 0.249 . . . . 0.0 110.612 -178.641 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 403' ' ' ARG . 38.4 mtm-85 -62.9 -29.1 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -177.27 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.648 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 33.9 ttt180 -61.56 -51.01 70.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.931 0.395 . . . . 0.0 109.983 176.017 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.507 ' OE1' HG23 ' B' ' 432' ' ' VAL . 80.7 mm-40 -71.79 -29.58 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.518 -178.446 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.0 mt-10 -60.45 -41.82 94.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -71.95 -39.99 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.568 176.467 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.8 mt -62.22 -51.72 66.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.723 0.297 . . . . 0.0 110.951 -178.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.606 HD11 ' OH ' ' A' ' 82' ' ' TYR . 58.4 tp -62.03 -32.51 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.956 0.407 . . . . 0.0 110.186 176.801 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.51 -42.4 87.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.313 178.096 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 98.8 p -60.52 -48.72 80.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.602 -177.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.5 mm? -57.65 -45.86 84.95 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.785 173.746 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.481 ' HE1' ' HB2' ' A' ' 48' ' ' ALA . 1.9 m170 -57.99 -47.28 83.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.303 -175.847 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -77.53 -35.07 53.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.637 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.39 -53.78 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.943 0.401 . . . . 0.0 111.577 -175.018 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' B' ' 425' ' ' LYS . 68.2 mt -63.53 -34.09 77.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 -176.373 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.5 tt0 -61.92 -21.37 64.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.099 -177.572 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.82 87.17 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.828 -178.826 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.82 12.35 5.0 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.789 178.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 64.6 mt -106.95 136.41 42.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.444 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -163.34 140.79 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.443 0.639 . . . . 0.0 111.42 175.909 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 14.5 t70 -149.45 161.45 42.08 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.803 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.57 -31.79 70.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.163 0.506 . . . . 0.0 110.879 -177.388 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.39 -31.98 73.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.228 178.591 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 57.4 mmtt -72.78 -42.5 63.89 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.279 -176.779 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.444 ' HG2' ' H ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -57.34 -47.07 82.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.497 -178.866 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -68.72 -37.42 79.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.874 -179.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.541 ' O ' HG12 ' B' ' 432' ' ' VAL . 18.0 mmt180 -64.43 -45.56 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.745 178.233 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 429' ' ' LEU . 10.5 mt -55.96 -50.36 71.01 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 123.299 0.374 . . . . 0.0 111.642 -178.389 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.454 ' HE3' ' HD2' ' B' ' 434' ' ' ARG . 7.4 m95 -66.39 -44.25 83.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.508 179.898 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.424 ' O ' HG13 ' B' ' 435' ' ' ILE . 18.1 tp10 -60.45 -55.72 30.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.829 -0.168 . . . . 0.0 111.185 -175.034 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.597 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.5 p -62.34 -34.61 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.16 0.505 . . . . 0.0 110.467 -178.709 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.2 tp60 -56.61 -50.3 72.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.738 176.513 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.519 ' HA ' HG22 ' B' ' 437' ' ' THR . 18.1 mtp180 -69.04 -33.25 73.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 -177.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.9 mt -67.24 -45.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.23 176.632 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.29 -47.35 81.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 177.417 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.519 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.9 t -72.09 -34.27 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.76 0.314 . . . . 0.0 111.063 -176.388 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.89 -36.43 83.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.477 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.587 ' HB3' HG12 ' B' ' 402' ' ' ILE . 40.1 mt -69.78 -36.59 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.554 178.902 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.505 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 70.4 mmtt -59.35 -40.24 85.78 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.659 0.742 . . . . 0.0 109.037 173.57 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -66.37 -44.73 82.34 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.064 179.139 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -58.48 -33.07 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.344 177.811 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 398' ' ' ILE . 46.7 tp -61.43 -55.07 35.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 178.586 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -82.05 -0.32 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 0.0 111.107 -179.767 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.57 -28.94 30.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.707 178.605 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.161 -177.365 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 HD22 ' HG3' ' A' ' 180' ' ' LYS . 28.2 mt . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.81 10.91 12.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.547 -173.591 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 tp -110.98 125.55 53.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -135.1 144.45 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.351 -178.245 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.81 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.25 118.74 26.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.836 0.35 . . . . 0.0 110.224 173.399 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.5 129.12 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.489 0.661 . . . . 0.0 110.671 -179.036 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.94 120.96 60.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.838 178.178 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 87.1 mtp -96.63 114.84 26.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.261 0.553 . . . . 0.0 109.904 179.241 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -94.67 160.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.402 -171.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' A' ' 71' ' ' GLY . . . 176.76 -167.03 38.22 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.051 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -142.46 -61.48 0.44 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.48 0.64 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.81 -111.55 1.59 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.11 178.661 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 -66.7 1.01 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.275 -178.919 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.523 HG11 HG23 ' A' ' 92' ' ' VAL . 98.0 t 71.36 -53.2 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 123.272 0.629 . . . . 0.0 111.779 178.924 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.01 19.36 9.1 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.474 -177.117 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.8 pttp -78.92 -23.02 44.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.232 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -69.75 -32.48 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.884 178.329 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.72 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.557 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.69 -36.3 78.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.736 -175.602 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.9 p -70.29 -44.16 68.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.159 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG22 ' A' ' 40' ' ' VAL . 6.4 tt -67.88 -35.91 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' OE1' ' HG2' ' A' ' 162' ' ' ARG . 81.1 mt-30 -65.57 -37.7 87.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.521 176.194 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.98 -34.02 68.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 61.0 mtm -73.85 -49.22 26.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.367 -179.839 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.8 m-85 -111.8 -76.65 0.59 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.047 -175.707 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 24.2 t70 168.45 -30.34 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.681 0.613 . . . . 0.0 111.047 -174.687 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -95.62 160.03 14.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.395 0.616 . . . . 0.0 112.036 -168.007 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.09 149.62 37.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.708 176.743 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.671 HG22 HD13 ' A' ' 32' ' ' LEU . 48.8 t -72.38 100.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 111.177 -179.123 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -79.86 -46.67 16.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.682 176.535 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.72 109.31 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 110.809 -178.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -172.86 91.24 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.946 176.344 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 40.7 tt0 -72.18 -63.29 1.28 Allowed Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.288 -176.001 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 26.6 Cg_exo -26.14 -103.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 125.001 3.8 . . . . 0.0 115.814 -167.755 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.54 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 24.2 p 45.23 40.07 4.74 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.016 0.526 . . . . 0.0 112.216 -178.478 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.04 -59.17 2.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.273 0.559 . . . . 0.0 109.761 179.17 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.16 7.94 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.17 171.669 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.74 125.13 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.415 -171.079 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB2' HD13 ' A' ' 67' ' ' LEU . 34.3 t -118.21 138.19 52.49 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.319 0.58 . . . . 0.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.44 145.18 33.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.465 178.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -105.87 154.25 20.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.253 0.549 . . . . 0.0 110.861 -176.34 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HG3' HG13 ' A' ' 55' ' ' VAL . 51.6 tptt -127.23 131.17 50.66 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.624 176.901 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.08 117.16 29.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.003 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.9 m -127.2 144.14 38.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.134 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 60' ' ' GLU . 7.5 p -110.66 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.656 0.741 . . . . 0.0 109.246 175.206 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.45 102.81 14.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.818 -179.708 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 77.6 -34.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.786 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.57 -70.29 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.042 -1.551 . . . . 0.0 115.587 -170.548 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -109.12 152.59 24.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.579 0.689 . . . . 0.0 111.612 -168.395 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.28 111.01 6.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.71 178.354 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' GLU . 40.6 t -106.68 141.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.077 -174.151 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.07 121.06 43.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.072 0.463 . . . . 0.0 110.154 -176.249 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 tt -123.29 127.21 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -178.21 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.81 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 60.6 m-20 -87.64 129.28 35.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.949 177.893 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -107.64 128.24 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 50' ' ' SER . 45.0 tp -123.53 108.46 12.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.867 0.365 . . . . 0.0 110.369 176.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.54 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 28.4 t0 -94.7 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.111 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -93.81 147.58 22.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.132 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.09 124.68 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.636 169.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 21' ' ' GLY . . . -95.11 85.44 0.96 Allowed Glycine 0 C--O 1.235 0.201 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.772 -176.193 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 2.5 pt? -152.64 167.31 29.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -73.62 -23.62 59.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.135 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.5 m-20 -58.66 -66.64 0.46 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.141 -176.659 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 72.0 m-85 -81.49 78.69 8.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.633 0.73 . . . . 0.0 111.4 -174.057 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -28.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.776 -179.636 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.901 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -73.74 -12.78 60.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 110.867 -179.404 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.705 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 17.0 mt -96.82 -32.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 178.773 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -92.08 -64.2 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.093 0.473 . . . . 0.0 110.567 178.194 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.64 -55.1 9.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.967 -174.306 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.848 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.3 m-20 -78.0 -18.01 56.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -171.187 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.09 -30.98 13.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.861 -0.524 . . . . 0.0 112.224 -175.926 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.583 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.6 m-30 -66.72 -25.19 66.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.21 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 1.6 tmt_? -59.47 -41.15 89.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.158 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.562 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -92.38 24.8 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.756 0.312 . . . . 0.0 111.621 -178.35 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.93 151.93 17.68 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -96.54 -71.23 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.615 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -110.72 154.66 16.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.219 -176.691 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -131.36 135.99 47.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.998 0.428 . . . . 0.0 111.075 -176.653 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 62.9 mt -104.52 107.58 18.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.211 177.65 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 8.0 mp -80.68 106.48 12.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.06 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 1.083 HG12 ' HB ' ' A' ' 126' ' ' VAL . 18.0 m -117.1 135.87 56.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.033 0.445 . . . . 0.0 110.285 -177.918 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -142.21 171.88 13.45 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 12.2 t -112.52 138.94 48.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.872 177.723 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.96 5.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.454 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 15.4 p -126.87 -0.57 6.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.174 0.511 . . . . 0.0 110.844 176.356 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 32.7 mt-10 -116.93 84.29 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.047 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.641 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 20.7 t-80 -59.02 -30.2 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.756 -170.637 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.26 -46.11 72.57 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 p -70.6 -27.97 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -177.358 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.64 -44.85 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.6 m -72.27 -32.98 67.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.027 0.441 . . . . 0.0 110.683 179.571 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.26 -13.94 62.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.212 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 p -51.1 -48.97 61.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.72 0.295 . . . . 0.0 111.628 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.53 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.61 -42.79 98.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.449 178.676 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.519 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -60.64 -51.73 68.13 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.56 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -50.75 -55.92 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.998 -177.472 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -37.43 78.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.927 -177.38 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.91 -34.8 71.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.756 0.312 . . . . 0.0 110.454 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 121' ' ' ILE . 96.9 mt -61.86 -45.28 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.629 177.573 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -40.77 92.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.794 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -57.13 -47.54 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.762 -177.88 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.583 HG21 ' HB2' ' A' ' 83' ' ' PHE . 33.1 m -81.09 -10.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.169 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.533 ' HB3' ' OE2' ' A' ' 118' ' ' GLU . 30.3 mtmt -126.9 -99.39 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.508 -178.625 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.62 -49.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 177.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.8 60.37 3.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.31 0.576 . . . . 0.0 110.886 -175.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.533 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 pt-20 -142.42 -157.93 0.82 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.15 179.668 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.46 -67.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.923 176.521 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.449 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 9.4 mmtp -160.68 138.24 9.41 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -176.634 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 111' ' ' ILE . 58.9 mt -98.65 109.38 52.95 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.559 177.345 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.615 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.2 Cg_endo -82.45 126.11 4.67 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 178.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.95 132.99 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.436 0.636 . . . . 0.0 111.002 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.808 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -129.75 118.04 21.22 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.785 172.867 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 17.5 t -90.39 127.36 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.923 -177.289 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 1.083 ' HB ' HG12 ' A' ' 92' ' ' VAL . 49.6 t -120.48 131.34 72.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.95 -175.535 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.97 122.49 7.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.726 178.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -113.38 177.58 4.58 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 69.32 16.84 8.32 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.185 0.594 . . . . 0.0 110.689 -179.164 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 m -65.33 -5.66 7.92 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.925 -177.855 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.67 -22.78 62.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.134 -179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 64.0 mt -68.22 -49.1 62.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.476 -179.103 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 62.04 -74.13 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 124.116 0.885 . . . . 0.0 112.494 178.191 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.98 -21.69 56.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.077 0.465 . . . . 0.0 110.952 -175.671 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 81.1 mtp180 -85.59 1.6 48.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.622 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -54.56 114.99 1.89 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.282 -176.824 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.641 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 35.9 tt0 -81.22 -39.35 25.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 -178.695 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.7 p -117.9 123.88 29.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 -179.338 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 51.4 Cg_exo -56.7 126.08 21.09 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.053 2.502 . . . . 0.0 112.426 -179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.4 -22.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.056 178.926 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.7 -53.07 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.863 179.559 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -73.46 -29.5 62.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.806 178.595 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.1 mtp180 -60.25 -40.81 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.378 0.609 . . . . 0.0 110.93 177.532 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -75.32 -31.82 60.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.453 -172.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 14.0 tppt? -63.38 -48.95 75.77 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.241 178.031 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 152' ' ' VAL . . . -65.18 -37.11 86.32 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.703 177.386 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.38 -37.97 85.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 -178.718 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.44 -25.62 66.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.43 178.166 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.429 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 48.4 m0 -84.01 -4.36 58.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.93 0.395 . . . . 0.0 110.447 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.96 20.02 76.63 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.851 -178.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 147' ' ' ALA . 15.6 m -110.76 -179.94 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.266 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.808 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -110.63 149.68 30.08 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.458 177.088 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 86.9 t80 -121.89 122.64 39.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.871 176.642 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 40.4 t -122.77 135.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.309 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.9 143.91 27.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 178.691 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.2 p -131.12 154.75 47.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 178.414 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.2 m -133.35 103.56 6.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.618 176.735 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.71 6.92 13.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -178.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -87.1 -50.1 6.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.95 179.831 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 p -97.06 -2.61 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.428 ' HG2' ' OE1' ' A' ' 33' ' ' GLN . 87.6 mtm180 62.36 61.98 1.21 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.108 -175.243 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -121.71 134.71 54.95 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.843 -178.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 70.0 10.82 7.55 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.833 0.708 . . . . 0.0 111.667 176.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.76 -54.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.812 -176.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -74.16 -24.95 59.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 -178.514 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.7 -49.61 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.686 -176.897 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 35.7 m -68.34 -24.75 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.902 -177.151 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -74.36 -56.33 4.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.483 179.188 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -63.09 -32.89 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.307 -175.198 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.19 -51.06 65.6 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.787 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.575 HD11 HD11 ' A' ' 176' ' ' ILE . 1.7 tm? -65.12 -39.17 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.896 177.352 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.8 mtp -60.59 -31.25 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.478 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -67.85 -48.09 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.812 176.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.67 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 4.3 mm-40 -52.61 -44.93 66.33 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 177.359 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 172' ' ' LEU . 60.8 mt -58.89 -29.38 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.511 -177.246 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -65.1 -49.61 69.31 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.3 m -57.55 -32.4 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -178.204 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.1 mptt -70.28 -48.55 56.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 12' ' ' LEU . 14.2 ptpt -75.83 -20.07 58.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.649 179.037 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.5 mtm . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.563 0.221 . . . . 0.0 110.918 174.686 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 111.809 0.299 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.484 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 31.7 mt-30 -59.87 -28.89 67.91 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.62 0.247 . . . . 0.0 110.951 -178.189 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.14 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 110.503 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.39 91.72 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.843 177.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.633 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.9 mm -59.06 -48.69 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 175.906 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -58.59 -40.28 82.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.342 -178.954 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.06 -38.37 90.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 179.052 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.548 ' HB3' HD11 ' B' ' 439' ' ' LEU . 3.4 tp10 -73.94 -35.77 64.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.053 179.507 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 398' ' ' ILE . 74.0 mt -57.98 -54.28 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.748 175.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -63.32 -29.41 70.73 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 77.4 ttt180 -59.2 -50.68 73.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.047 174.843 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -73.02 -29.77 63.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 -179.122 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 81.4 mt-10 -61.96 -40.33 95.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.899 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.66 -44.23 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.689 176.317 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.3 mt -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.227 -178.519 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 40.9 tp -68.78 -32.46 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.229 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.73 -44.86 93.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.124 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 7.6 t -60.89 -54.49 44.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.839 177.662 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.5 mm? -52.73 -32.94 45.73 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.469 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.509 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 14.2 m-70 -71.24 -50.69 30.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.008 177.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -77.07 -39.96 47.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -171.574 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -64.13 -39.41 93.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.916 0.388 . . . . 0.0 110.732 -178.653 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.578 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -78.22 -33.53 49.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.901 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 1.8 mt-30 -71.49 -12.29 61.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.078 174.055 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.85 -8.45 84.28 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.953 175.538 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 7.35 32.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.412 175.643 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 70.5 mt -102.6 117.26 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.006 0.403 . . . . 0.0 110.23 176.746 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.12 144.73 47.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.743 0.782 . . . . 0.0 111.503 179.42 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.1 t70 -148.67 161.73 41.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.28 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.512 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.1 mp -66.02 -26.33 67.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.11 0.481 . . . . 0.0 110.504 -177.791 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.4 m -66.98 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.0 176.007 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.3 mmtt -73.41 -44.09 59.09 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.382 -175.665 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 24.8 mt-10 -60.53 -48.46 81.67 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.038 -178.379 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 6.4 mm-40 -64.26 -44.71 90.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.791 177.765 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.489 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 tpt180 -68.61 -32.28 72.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 -177.1 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.461 HD22 ' CZ ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -56.18 -49.92 72.68 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.27 0.557 . . . . 0.0 109.568 176.727 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -65.26 -45.08 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.1 176.595 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.51 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 48.4 mt-10 -57.66 -55.85 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.073 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.0 p -61.35 -35.52 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.595 -176.783 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -62.28 -48.47 79.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.059 0.457 . . . . 0.0 110.762 174.519 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.51 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 31.5 mtp180 -59.99 -38.54 82.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -70.53 -42.26 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.452 178.121 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' B' ' 406' ' ' GLU . 3.2 tm? -57.63 -50.93 71.54 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.212 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 4.5 t -69.43 -30.89 68.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 -177.013 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.05 -38.05 75.7 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.33 174.922 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -59.85 -44.59 94.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.651 179.742 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -68.07 -42.92 79.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.16 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.1 mmmt -61.54 -27.95 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.973 176.418 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.27 -41.08 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -77.36 -16.81 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.359 176.361 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.54 -9.22 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.989 -175.312 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.484 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.6 179.005 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.234 0.27 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.54 15.06 2.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.743 174.226 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -149.25 112.4 4.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.119 0.485 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 10.3 m170 -126.81 136.2 52.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.424 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -111.54 123.58 50.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.308 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.7 120.01 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.593 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.7 mt -106.15 131.34 56.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 0.0 111.588 -174.682 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.772 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 9.1 mmt -88.59 111.93 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.799 175.015 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 90' ' ' LEU . 19.8 m -94.76 175.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.587 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.88 175.29 39.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.861 -1.162 . . . . 0.0 113.021 179.467 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.773 ' HB2' ' HE1' ' A' ' 107' ' ' PHE . 5.1 t -153.64 25.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.48 -139.25 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.277 -176.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.16 -73.74 1.01 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 119.865 -1.16 . . . . 0.0 112.185 178.097 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t 69.55 -46.56 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 112.158 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.51 31.59 4.23 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.158 -178.691 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.909 ' HB3' HG21 ' A' ' 92' ' ' VAL . 58.5 pttt -66.75 -40.64 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -174.45 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . 17.0 p -78.08 1.72 20.17 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.83 -174.462 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.96 -48.62 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 170.564 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.72 -40.93 96.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.292 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.5 p -65.4 -43.21 91.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.241 -176.771 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.93 -41.99 81.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.598 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.24 -35.23 79.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 178.505 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -69.13 -46.13 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 178.756 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 71.8 mtm -74.91 -41.43 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.649 -175.253 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -93.57 5.14 52.6 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.335 -176.037 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 73.36 -38.46 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.686 0.794 . . . . 0.0 112.664 172.351 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -106.29 -177.87 3.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.473 . . . . 0.0 111.407 -176.169 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -74.68 142.47 44.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.164 178.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG11 ' HD1' ' A' ' 43' ' ' TYR . 9.6 t -72.34 104.39 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.611 -173.702 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -100.09 -21.69 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.556 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.38 85.32 2.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.447 172.6 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.438 ' HD1' HG11 ' A' ' 40' ' ' VAL . 48.9 t80 -105.17 116.93 32.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.95 -177.119 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -120.88 146.01 42.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.95 107.03 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.276 2.651 . . . . 0.0 113.407 -178.192 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -87.7 93.03 9.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -87.75 -56.84 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 110.524 175.61 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.62 14.13 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.7 0.762 . . . . 0.0 109.537 175.054 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -86.83 103.94 15.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.077 -173.333 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -109.51 171.74 7.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.734 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 6.8 t80 -161.47 168.79 23.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.11 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' CB ' ' A' ' 52' ' ' ARG . 1.3 ptp180 -136.51 161.23 36.44 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.527 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 64' ' ' ILE . 49.1 tptt -127.64 143.01 51.2 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.617 -178.474 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -94.96 120.46 35.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 109.983 172.08 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.31 143.5 36.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.602 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 6.7 p -94.28 102.37 13.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.823 0.82 . . . . 0.0 109.308 178.279 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.72 102.07 14.68 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.944 -174.533 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.25 5.78 4.42 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.334 170.186 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.84 -30.23 1.81 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.257 176.679 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.4 pt-20 -95.74 130.18 42.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.192 0.496 . . . . 0.0 109.861 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -71.76 111.73 7.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 169.566 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.1 t -106.08 153.52 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.259 -166.816 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.29 119.25 38.63 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 167.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' LYS . 12.1 tt -101.03 111.16 29.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.872 0.844 . . . . 0.0 109.273 -178.42 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.662 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 21.2 t70 -87.95 109.52 19.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.959 -173.596 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mm -108.65 120.73 60.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.131 -173.059 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 82' ' ' TYR . 57.6 tp -111.49 118.51 35.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.262 176.946 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.567 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 24.0 t0 -98.77 94.98 6.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.34 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -78.17 149.59 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.088 -172.53 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.62 106.92 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 172.491 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' ' 79' ' ' ARG . . . -81.49 72.65 2.73 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.476 -178.048 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -150.6 170.99 17.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.818 0.342 . . . . 0.0 110.656 178.778 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 -24.69 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.874 -175.175 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.455 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.4 m-20 -61.94 -73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.353 0.596 . . . . 0.0 111.294 -177.471 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.401 ' CB ' HD12 ' A' ' 78' ' ' ILE . 65.5 m-85 -78.12 68.09 4.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.195 -176.507 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.14 68.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.216 177.258 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.778 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -72.19 -15.71 61.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.271 -179.698 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 64.9 mt -96.57 -32.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.722 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 27.5 ttp180 -92.35 -61.07 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.042 177.855 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.6 -53.96 10.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.591 -173.633 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.778 HD22 ' HA ' ' A' ' 77' ' ' ALA . 59.0 m-80 -76.0 -17.65 59.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.668 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -79.64 -23.78 42.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.33 -179.382 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB2' HG21 ' A' ' 114' ' ' VAL . 22.1 m-30 -73.67 81.3 1.54 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.694 ' HG3' ' HB2' ' B' ' 426' ' ' GLU . 86.5 mmt-85 -133.88 -84.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.125 177.671 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.25 40.22 0.48 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.11 0.481 . . . . 0.0 111.733 -174.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.65 134.65 9.43 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.714 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 15.9 mp0 -87.6 -65.31 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.788 0.327 . . . . 0.0 110.81 -178.531 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.65 139.8 14.81 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.147 -171.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.516 ' CE2' HD12 ' A' ' 18' ' ' ILE . 94.7 m-85 -125.33 126.68 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 178.578 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 97.3 mt -96.66 116.61 29.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.428 179.493 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 123' ' ' LEU . 57.3 mt -90.47 107.18 19.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.128 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.909 HG21 ' HB3' ' A' ' 27' ' ' LYS . 18.8 m -108.87 139.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 -175.415 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -153.42 164.94 37.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 t -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.176 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.45 5.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.494 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.58 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.5 p -92.56 -27.16 17.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.213 0.53 . . . . 0.0 110.403 174.766 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.15 110.85 22.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.329 -178.489 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -70.88 -19.51 62.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.815 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.37 -55.01 24.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.407 179.118 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 m -59.0 -33.14 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.531 177.739 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -63.92 -36.08 82.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 177.57 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -79.87 -29.42 39.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.413 0.625 . . . . 0.0 110.096 178.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -13.91 62.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.933 -178.823 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 35.8 p -54.22 -39.63 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 178.112 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.08 82.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.759 177.469 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.49 87.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.34 179.197 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.773 ' HE1' ' HB2' ' A' ' 22' ' ' SER . 5.3 m-85 -57.76 -49.17 77.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.415 0.626 . . . . 0.0 109.721 178.064 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -59.23 -50.76 72.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.808 -176.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -32.64 74.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.953 -176.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.499 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.911 0.386 . . . . 0.0 109.976 177.676 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 107' ' ' PHE . 61.7 mt -62.72 -50.19 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.093 179.084 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.88 -24.19 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.262 -178.135 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 -178.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB2' ' A' ' 83' ' ' PHE . 22.6 m -95.35 -21.2 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.054 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HG2' HG23 ' A' ' 114' ' ' VAL . 6.7 mmmt -109.61 -84.09 0.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -177.876 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.6 -64.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.622 0.769 . . . . 0.0 112.915 179.231 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -80.11 54.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.147 0.499 . . . . 0.0 111.375 -175.392 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -103.92 178.31 4.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.801 -178.535 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.98 -69.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 170.62 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 35.0 mmtm -157.48 134.73 10.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.742 172.599 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 53.5 mt -101.52 104.36 33.68 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.501 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 7.9 Cg_endo -88.61 120.92 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.395 2.73 . . . . 0.0 112.665 179.794 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 91' ' ' LEU . 7.3 mp -109.89 153.89 23.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.29 177.799 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.9 tp -136.67 121.5 18.68 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.472 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.494 ' N ' HD12 ' A' ' 124' ' ' LEU . 23.1 t -86.06 116.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.094 -178.923 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -110.26 119.08 58.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.381 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.66 113.22 4.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.234 177.756 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -104.34 169.53 8.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 -177.404 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 69.14 33.01 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.697 0.623 . . . . 0.0 111.17 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -75.27 54.33 0.7 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.6 0.714 . . . . 0.0 109.692 174.682 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -135.01 0.9 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.032 -175.798 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.58 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.4 OUTLIER -99.78 -51.04 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 -179.467 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 64.59 -71.33 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 112.371 179.361 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 10.5 pt-20 -66.43 -21.47 66.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.995 0.426 . . . . 0.0 111.652 -175.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 54.0 mtt-85 -93.0 21.39 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -175.285 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.578 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 48.1 ttp180 -63.36 113.71 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -178.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -92.52 -27.68 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.156 0.503 . . . . 0.0 110.039 175.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 4.2 p -130.97 122.98 19.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 36.3 Cg_exo -62.27 133.48 43.75 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.916 2.411 . . . . 0.0 112.645 178.594 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -54.16 -28.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.021 174.625 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.44 -42.49 78.2 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.778 178.004 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.12 -39.0 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.277 179.515 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.02 88.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 178.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.6 mtp180 -70.29 -32.88 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.5 179.223 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.8 t -58.22 -45.01 88.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 178.311 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.74 -42.83 99.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.98 88.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.426 . . . . 0.0 110.528 177.339 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.76 -42.08 98.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.479 178.882 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.27 -36.45 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -178.423 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -83.77 -9.82 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -178.016 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.28 25.3 61.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.322 178.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.41 176.83 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 120.577 0.227 . . . . 0.0 110.696 -177.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.3 pm0 -102.2 157.79 16.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.087 175.519 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -120.7 121.2 37.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.156 175.749 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 127.44 74.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -177.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.56 122.88 30.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.496 178.709 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.6 p -129.87 150.83 50.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.372 0.606 . . . . 0.0 111.706 -177.02 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.8 p -136.68 102.31 4.87 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 173.721 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.73 -12.25 33.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.172 178.949 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -61.91 -36.31 80.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.423 179.762 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -130.93 12.68 5.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 -178.767 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 66.59 22.75 10.47 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.598 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.17 119.44 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.289 -177.215 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 69.59 7.74 6.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.765 175.628 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -42.19 94.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -175.796 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.86 -25.33 53.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.358 -176.901 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.89 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -175.545 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.38 -28.65 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.433 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -74.76 -51.3 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.693 0.283 . . . . 0.0 110.555 179.649 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -67.29 -39.69 86.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.063 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.768 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.166 -178.36 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.488 ' HA ' HD12 ' A' ' 176' ' ' ILE . 46.9 mtm -63.82 -29.94 71.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.728 -179.409 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -59.12 -43.85 91.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.032 178.518 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.82 -32.79 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 178.278 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 173' ' ' MET . 73.3 mt -59.23 -31.89 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.181 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -66.81 -51.62 53.55 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.526 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.0 m -60.65 -39.56 88.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.146 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.1 mptt -67.41 -45.05 77.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -178.924 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -73.89 -31.03 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 177.21 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.205 0.526 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 81.2 mt-30 -62.6 -27.75 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.673 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -59.95 -55.71 30.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.588 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.79 91.87 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 45.7 mm -61.87 -53.21 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.651 0.262 . . . . 0.0 110.85 177.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.2 mttt -63.84 -36.47 84.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.728 -175.814 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 70.6 mm-40 -58.93 -47.61 84.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.162 0.506 . . . . 0.0 109.963 176.371 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.73 -37.88 82.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.335 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 97.3 mt -55.92 -53.29 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.518 178.28 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.461 HH11 ' HD2' ' B' ' 403' ' ' ARG . 56.4 mtt85 -58.38 -35.37 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.287 -177.7 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -69.0 -44.82 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.864 179.129 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 12.5 mm100 -72.55 -29.89 63.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.538 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 51.5 mt-10 -60.01 -46.47 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 173.7 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.2 -43.11 99.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.032 178.176 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 412' ' ' LEU . 38.0 mt -60.99 -52.46 64.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.786 179.593 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.42 -44.39 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.141 0.496 . . . . 0.0 110.027 178.579 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.46 -47.11 79.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.072 177.762 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 14.0 t -60.0 -55.45 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.714 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.9 mm? -56.17 -35.75 67.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.983 0.421 . . . . 0.0 111.5 179.459 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.571 ' HD2' HD21 ' B' ' 429' ' ' LEU . 21.4 m170 -70.39 -34.15 72.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.92 -50.71 10.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.639 0.257 . . . . 0.0 111.349 177.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -57.55 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.82 -174.375 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.9 mp -69.13 -26.74 65.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.702 -178.527 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.7 tt0 -69.43 -35.82 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.183 0.516 . . . . 0.0 109.857 177.282 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.41 -25.47 74.24 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.377 178.057 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.14 18.24 3.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.24 116.66 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -139.03 144.97 39.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.949 0.881 . . . . 0.0 111.95 179.469 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.747 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.9 t70 -149.49 162.54 39.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.459 179.068 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.69 -30.65 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.014 0.435 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.1 m -66.31 -32.22 73.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 177.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.747 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.6 mmtt -69.65 -52.45 25.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.734 -175.007 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.694 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . 6.2 pt-20 -66.44 -37.12 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.646 -175.124 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.35 -41.6 76.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.669 0.271 . . . . 0.0 111.131 175.276 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -61.65 -41.24 97.24 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.704 0.288 . . . . 0.0 110.564 174.489 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -55.4 -53.42 56.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.014 -176.143 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.503 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 48.0 m95 -62.54 -47.96 81.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.489 -179.316 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.28 -49.91 73.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.057 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.7 p -62.48 -35.24 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.945 0.402 . . . . 0.0 110.505 179.833 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 19.5 tp60 -56.86 -49.06 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 173.906 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 33.9 mtt180 -68.2 -37.75 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.445 179.655 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -61.15 -46.29 96.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.31 176.885 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 30.0 tp -64.2 -37.51 87.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.155 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.563 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.12 -39.89 68.53 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.643 -178.708 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.81 -35.82 80.94 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 109.613 174.665 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.486 ' HG ' HG12 ' B' ' 402' ' ' ILE . 30.9 tp -66.74 -35.78 80.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.183 178.662 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.58 -43.3 93.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.269 0.557 . . . . 0.0 109.759 173.461 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -59.55 -44.46 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.459 177.781 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.0 mmmt -58.98 -34.12 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.441 178.537 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 60.1 tp -66.02 -44.54 84.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.441 178.249 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -82.53 -2.1 52.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.454 179.589 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.51 -25.75 22.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.089 179.387 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.699 179.96 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 177' ' ' ARG . 76.1 mt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.706 0.288 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 2.23 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 178.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -123.48 123.33 40.41 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.654 178.745 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HE1' ' HB3' ' A' ' 177' ' ' ARG . 15.0 m-70 -133.27 135.41 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.017 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.46 125.95 50.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.259 0.552 . . . . 0.0 110.727 176.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.8 129.17 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.78 -174.243 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.79 122.24 63.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 29.5 mtt -90.63 127.95 36.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.205 175.431 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.99 173.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.16 -173.0 27.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.875 -179.387 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -87.22 -10.08 53.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.325 0.583 . . . . 0.0 110.556 179.71 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.96 -45.66 1.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.085 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.11 -1.55 49.6 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.431 -0.384 . . . . 0.0 113.033 -178.316 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 29.7 m -78.18 -0.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.775 -177.524 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.84 26.17 63.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.602 178.186 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 9.8 ptmm? -62.48 -31.0 71.67 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.764 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 m -75.33 -24.03 57.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 178.06 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.5 68.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.457 -177.175 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 128' ' ' ASN . 80.6 mt -68.99 -39.27 79.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.899 -176.635 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -67.41 -46.68 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.81 -178.208 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.77 -40.02 72.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 177.057 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -60.81 -52.17 66.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.417 177.18 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -67.68 -27.69 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -176.514 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -91.47 -52.58 4.71 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -174.04 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -109.89 -5.35 15.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.45 22.5 7.81 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.448 0.468 . . . . 0.0 111.522 179.88 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -125.32 159.12 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.953 0.406 . . . . 0.0 110.63 179.609 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.32 146.83 24.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.649 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.66 110.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 122.01 0.909 . . . . 0.0 111.53 -176.174 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -101.59 -43.75 5.79 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.802 175.7 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.8 94.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 177.504 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -170.57 90.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.564 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.617 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 62.0 mm-40 -104.26 -42.64 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.8 Cg_exo -26.59 -81.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 123.907 3.071 . . . . 0.0 114.98 -175.67 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 11.8 p 44.49 45.4 7.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.323 0.582 . . . . 0.0 111.649 -177.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.64 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 109.353 178.303 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' B' ' 409' ' ' LEU . . . -126.53 26.81 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.991 172.868 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.815 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -84.04 65.59 8.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.766 -171.777 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m -91.68 150.94 20.89 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 75.8 m-85 -142.43 160.19 40.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.958 0.409 . . . . 0.0 111.345 -176.542 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.53 ' HD2' ' OE1' ' A' ' 63' ' ' GLN . 4.0 tpp180 -94.42 108.15 20.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.344 -176.59 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -110.78 119.67 39.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.921 0.391 . . . . 0.0 110.152 177.678 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.49 126.39 41.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.541 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.53 147.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.52 175.806 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.05 115.03 44.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.13 178.552 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 170' ' ' PHE . 86.4 mt -93.95 96.04 9.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.505 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 20.79 85.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 125.272 1.607 . . . . 0.0 113.699 -174.273 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.01 -57.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.811 175.372 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.39 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.192 0.496 . . . . 0.0 111.875 -172.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.1 109.68 7.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 168.673 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -106.68 139.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -175.152 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.53 ' OE1' ' HD2' ' A' ' 52' ' ' ARG . 72.8 mt-30 -113.45 127.43 56.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.68 125.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.533 0.682 . . . . 0.0 110.337 177.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.36 117.77 35.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.444 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.88 128.6 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.744 -174.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 430' ' ' TRP . 57.1 tp -116.77 114.31 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.468 172.472 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.483 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.7 t70 -94.03 94.53 8.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.688 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -72.59 148.53 44.81 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.086 -175.317 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -75.97 142.94 41.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.968 174.388 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.61 22.44 39.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.993 -179.598 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -103.72 163.46 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 111.33 -177.525 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -93.57 -3.68 52.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.265 -178.734 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -59.16 -72.96 0.09 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.672 -178.518 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.57 -54.3 9.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.406 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.98 -45.55 0.5 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.096 -173.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.21 -38.18 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.432 0.693 . . . . 0.0 112.483 179.557 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.59 -36.78 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.22 0.325 . . . . 0.0 110.996 -177.204 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.0 ttm180 -93.52 -64.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.398 0.618 . . . . 0.0 111.262 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 3.4 m-20 -74.68 -41.78 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.34 -168.217 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -76.21 -15.79 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -176.584 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 77' ' ' ALA . 12.7 m-85 -89.01 1.42 55.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.477 176.51 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 8.0 m-30 -72.66 -169.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.767 -178.746 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.724 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 89.4 mtt180 70.22 -68.04 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.713 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 m -63.02 -24.22 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.904 0.383 . . . . 0.0 110.426 179.713 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.18 136.24 23.58 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 173.587 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.41 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -175.327 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.48 145.32 17.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.95 -176.913 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -128.57 135.42 49.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.146 0.498 . . . . 0.0 110.95 -179.159 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 95.2 mt -111.44 114.61 27.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.169 177.901 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 125' ' ' VAL . 45.7 mt -85.49 106.52 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -109.8 132.75 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.423 -175.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 26.2 p90 -147.98 160.88 42.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.073 178.04 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 39.9 t -95.18 146.28 24.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.145 176.767 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.49 6.36 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.161 0.505 . . . . 0.0 111.348 -178.305 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.911 HG21 HD22 ' A' ' 132' ' ' LEU . 42.4 p -123.92 5.9 8.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.88 0.371 . . . . 0.0 111.33 176.507 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 61.1 mt-10 -109.74 96.79 6.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.012 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -66.21 -30.05 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.338 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.24 -53.14 59.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.562 177.331 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -64.66 -32.39 74.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 110.576 179.015 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.58 -49.38 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.234 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 m -67.29 -29.19 68.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.194 0.521 . . . . 0.0 110.769 178.272 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.61 -21.96 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.207 -177.164 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.601 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.5 p -58.99 -35.88 73.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 -179.456 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.19 92.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.637 177.226 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.45 -42.16 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.436 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.5 m-85 -58.31 -51.48 69.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -178.464 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 108' ' ' ARG . 2.2 ptm180 -62.36 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -175.8 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.7 -33.43 73.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.99 -179.084 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.82 -33.74 76.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 178.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.7 mt -65.49 -47.18 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.05 178.376 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.81 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.749 178.377 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -63.81 -30.41 71.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.165 -179.329 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.7 m -108.76 -21.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.293 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.724 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 29.8 mtpp -106.64 -91.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -177.24 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.29 -68.1 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.601 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.41 38.76 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.819 0.448 . . . . 0.0 112.179 -172.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.687 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 3.6 mm-40 -100.34 -162.25 0.93 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.075 -176.183 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 62.7 m-20 -63.55 -79.35 0.04 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.703 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.913 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.4 mmtm -157.18 141.72 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.514 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 111' ' ' ILE . 44.8 mt -98.65 107.73 44.39 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 120.65 0.262 . . . . 0.0 110.612 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -93.39 122.14 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 123.328 2.686 . . . . 0.0 111.851 176.699 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.4 mp -117.54 124.89 49.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 0.0 110.351 -179.338 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.747 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -115.49 117.43 30.36 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 174.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.744 HG22 HD12 ' A' ' 91' ' ' LEU . 13.1 t -84.25 116.14 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.574 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.03 109.24 27.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.438 -176.371 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.62 115.07 3.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 174.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.611 HD21 HD21 ' A' ' 30' ' ' LEU . 6.2 t-20 -124.85 -169.97 2.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.986 0.393 . . . . 0.0 109.987 -176.37 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 131' ' ' ASP . 29.3 mmmt 60.85 24.9 14.84 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.464 0.477 . . . . 0.0 110.278 -176.311 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.41 ' HB2' ' HB3' ' A' ' 158' ' ' SER . 19.2 m -72.2 30.11 0.05 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.464 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.7 t70 -84.61 -28.42 26.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.595 0.712 . . . . 0.0 109.373 176.267 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.911 HD22 HG21 ' A' ' 96' ' ' THR . 6.1 mp -82.04 80.74 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.573 178.117 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -82.29 -42.88 18.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.513 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -82.06 -22.14 36.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.141 -178.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -105.89 8.53 32.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.735 -174.708 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.0 ttm105 -52.71 114.51 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.945 -178.129 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.612 ' HB2' ' HA ' ' A' ' 96' ' ' THR . 30.3 mm-40 -87.71 -33.13 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.785 -176.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 p -118.58 120.97 31.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.044 0.45 . . . . 0.0 110.695 176.908 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 123.26 13.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.064 2.509 . . . . 0.0 111.925 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.634 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -70.29 -18.28 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.937 -176.524 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.81 -50.82 69.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.274 178.826 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.77 -24.47 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.184 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.48 85.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.237 173.693 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.706 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 23.1 mtp180 -64.21 -39.57 94.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.179 0.514 . . . . 0.0 110.074 175.138 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.0 t -63.61 -33.0 74.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.609 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -65.81 -37.25 85.76 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -62.3 -37.43 85.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 0.0 110.095 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.42 -40.2 85.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.601 178.407 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.54 -40.57 92.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.919 179.453 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -88.66 -4.33 58.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.13 -176.431 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.22 40.8 70.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.625 179.17 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 29.2 m -125.62 -173.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.549 0.214 . . . . 0.0 111.22 -178.38 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.747 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -99.86 155.15 17.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.485 177.029 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.706 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 58.0 t80 -132.28 124.67 29.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.44 124.64 67.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 -179.276 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -85.19 115.1 22.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.061 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 80.6 p -121.62 162.02 21.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -174.317 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 30.0 p -152.93 130.13 11.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.362 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.75 -0.55 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.437 0.636 . . . . 0.0 110.166 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -79.51 -44.59 20.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.51 -179.925 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 40.1 p -99.99 -9.17 23.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 -178.336 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 45.56 9.99 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.452 -177.256 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -115.99 136.11 53.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 70.44 7.97 6.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.879 176.846 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 168' ' ' VAL . 82.4 t -70.52 -52.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.655 0.264 . . . . 0.0 110.622 -178.583 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -72.29 -23.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -57.83 -47.11 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.522 -176.596 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -65.03 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.901 -174.841 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -70.95 -50.86 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.637 -179.556 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.453 ' CD1' HD21 ' A' ' 57' ' ' LEU . 47.4 m-85 -68.11 -38.91 82.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.276 -177.421 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.53 -51.91 67.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.628 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 176' ' ' ILE . 37.8 tp -61.64 -42.94 99.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.552 -179.003 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.8 mtm -61.24 -30.82 70.68 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.648 -178.515 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 9.5 mmm180 -68.0 -39.9 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.907 179.412 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.733 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 21.3 mt-10 -72.7 -37.29 67.88 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.795 175.127 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -54.63 -48.12 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.606 0.241 . . . . 0.0 111.082 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 181' ' ' MET . 13.9 ptp180 -67.86 -29.12 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.767 -178.377 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.2 m -77.19 -31.32 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -178.22 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.913 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 70.7 mmtt -66.11 -36.51 83.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.068 0.461 . . . . 0.0 110.255 178.934 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 24.5 mtpp -74.11 -21.65 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 -177.742 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 61.6 mtt . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.552 ' O ' HG12 ' B' ' 398' ' ' ILE . 46.9 m . . . . . 0 N--CA 1.464 0.245 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.94 -30.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.87 -54.91 41.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.19 -34.81 90.98 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.963 178.845 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 394' ' ' THR . 46.4 mm -60.45 -52.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.338 . . . . 0.0 110.168 176.374 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 63.0 mttm -59.11 -43.98 91.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.606 -178.084 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.21 -38.55 90.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.164 -178.157 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.648 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 8.5 tp10 -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.686 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.5 mt -53.62 -53.58 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.592 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 79.2 mtp180 -61.79 -35.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.939 -177.17 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.648 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 38.0 ttm180 -61.2 -52.56 64.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.37 176.637 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.1 mm-40 -68.77 -27.8 66.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.14 -176.93 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.9 mt-10 -60.38 -37.41 80.7 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.019 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.99 -49.44 67.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 178.27 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.549 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.9 mp -56.09 -52.2 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.999 176.028 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.514 HD23 HG13 ' B' ' 432' ' ' VAL . 2.4 tm? -56.21 -47.1 79.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.12 177.574 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.58 -45.8 84.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.167 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.73 -55.27 36.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.379 -178.294 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -52.17 -43.08 63.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.92 0.391 . . . . 0.0 111.033 177.863 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.83 -44.14 96.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.374 -179.85 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -76.48 -41.03 48.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.28 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.3 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.384 -179.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 38.6 mt -70.4 -27.52 64.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.443 -175.624 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.23 -23.99 62.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 178.285 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.72 3.35 56.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.156 -178.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.82 28.76 10.64 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.908 178.494 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.5 133.58 68.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.843 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -155.52 144.77 20.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 0.0 111.798 178.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.578 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 24.8 t70 -150.86 166.88 29.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.761 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.26 -23.94 62.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.416 0.627 . . . . 0.0 110.603 -179.43 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -67.86 -31.48 71.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.615 175.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 60.8 mmtt -72.72 -49.74 29.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.61 -176.567 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.5 ' OE1' ' HD2' ' A' ' 84' ' ' ARG . 8.9 pt-20 -59.34 -45.65 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.997 -177.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.2 mm-40 -63.23 -47.01 84.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.004 178.433 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.553 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.5 mmt180 -61.09 -37.23 81.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.898 178.242 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.407 HD11 HD12 ' B' ' 416' ' ' LEU . 9.1 mt -56.37 -49.93 73.02 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.004 177.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.555 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 93.7 m95 -70.66 -34.35 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.867 -177.489 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.553 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 54.4 mt-10 -61.61 -56.4 20.3 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.803 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.9 p -64.96 -33.26 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.408 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -54.88 -52.23 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.394 177.271 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.2 mpt_? -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.245 -178.196 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.8 mt -65.77 -47.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.826 0.345 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.423 HD11 HG23 ' B' ' 402' ' ' ILE . 34.8 tp -59.85 -42.91 94.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.686 -179.068 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.2 -34.46 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.289 -178.308 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.33 -39.49 94.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.031 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.686 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.2 mp -59.3 -44.14 92.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 175.824 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -58.45 -41.35 84.92 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.244 0.545 . . . . 0.0 110.194 177.102 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 2.4 tmt_? -67.39 -43.68 80.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.572 179.166 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.5 mmmm -57.98 -35.97 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.018 176.786 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.1 -45.01 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.548 178.028 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.33 -2.93 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.38 179.2 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -91.61 -20.14 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.398 0.618 . . . . 0.0 109.518 175.454 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.438 179.357 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--O 1.235 0.342 0 CA-C-O 120.953 0.406 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -93.86 17.52 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.508 -177.976 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 36.1 tp -130.24 127.42 39.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.487 174.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -132.25 144.57 50.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -175.435 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 30.8 mmtp -118.54 132.05 56.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.847 0.356 . . . . 0.0 110.063 179.161 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.453 ' HB ' HD13 ' A' ' 66' ' ' ILE . 83.3 t -127.85 117.98 47.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.685 177.76 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.2 mt -91.98 116.74 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.552 175.797 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.445 ' HE3' HG21 ' A' ' 92' ' ' VAL . 8.3 tpt -84.57 103.84 14.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.91 -176.54 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.95 143.21 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -175.011 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.83 -176.67 38.62 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.213 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -110.51 8.19 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.513 0.673 . . . . 0.0 109.991 -176.738 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.13 -80.85 0.36 Allowed Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.686 -178.286 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.7 46.32 1.29 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.401 -175.713 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 27' ' ' LYS . 34.5 m -86.86 9.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.338 0.589 . . . . 0.0 110.083 175.6 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.62 40.7 79.76 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.369 -177.775 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 25' ' ' VAL . 18.6 pttp -82.78 -16.58 47.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.6 m -77.26 -19.55 56.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 177.234 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -70.39 -50.15 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.28 -39.82 95.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.16 -176.667 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -69.91 -36.95 75.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -177.932 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -60.29 -49.51 77.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.754 177.567 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' ' 39' ' ' PHE . 45.2 mt-30 -66.25 -35.23 79.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.259 -176.706 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 87.6 t80 -69.13 -37.91 78.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.335 -178.764 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.6 mtm -91.83 -47.93 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.759 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' ' 32' ' ' LEU . 96.4 m-85 -91.93 -1.5 57.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.38 -175.42 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 69.97 2.35 3.86 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.715 0.634 . . . . 0.0 112.394 171.306 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 45.2 mt-10 -131.97 165.91 22.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.021 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.639 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 69.8 t80 -75.74 141.03 42.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.895 0.379 . . . . 0.0 110.597 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.592 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -70.02 123.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.446 0.641 . . . . 0.0 111.331 -179.566 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.62 -47.06 3.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.597 178.532 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -148.82 100.43 3.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.279 176.055 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -163.5 107.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.918 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 mm-40 -116.53 -42.23 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -179.422 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 5.7 Cg_endo -48.31 102.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.735 2.29 . . . . 0.0 113.354 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.52 70.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.826 177.256 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -88.29 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 109.169 170.405 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HD21 ' B' ' 409' ' ' LEU . . . -127.52 15.33 7.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.641 170.365 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.6 m-20 -79.44 80.01 5.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.129 -173.435 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -90.68 167.31 12.61 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.978 177.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -136.06 149.27 48.69 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.473 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -95.22 111.96 23.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.861 0.363 . . . . 0.0 110.598 -175.114 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 55.6 tptt -101.6 135.01 43.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -111.46 125.02 53.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.887 0.375 . . . . 0.0 110.289 174.215 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.59 144.9 34.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.655 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.402 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 p -100.36 125.36 54.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.129 0.49 . . . . 0.0 109.959 178.056 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.1 tp -108.97 109.44 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.697 178.572 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 72.83 -46.48 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.256 0.972 . . . . 0.0 112.589 177.797 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.84 -49.34 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.995 -1.097 . . . . 0.0 113.933 -174.275 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -95.34 141.13 29.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 117.79 0.795 . . . . 0.0 111.191 -177.138 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 50.9 mt-10 -75.4 131.28 40.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.353 179.541 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -121.75 145.47 28.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.715 -177.371 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.32 149.37 34.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.054 0.454 . . . . 0.0 110.036 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 173' ' ' MET . 12.2 tt -144.85 131.61 15.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 -176.37 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 43.1 m-20 -101.62 125.82 48.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.428 176.372 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.453 HD13 ' HB ' ' A' ' 17' ' ' VAL . 43.3 mm -107.64 112.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.629 -178.013 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 tp -96.77 104.29 16.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -178.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.95 99.94 12.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.843 176.932 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -86.06 167.24 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.673 -173.236 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.58 129.4 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.068 175.455 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.81 39.76 2.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.215 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -116.75 168.08 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.505 0.193 . . . . 0.0 110.95 -178.19 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HA ' HH21 ' A' ' 79' ' ' ARG . 21.3 mm-40 -70.14 -35.69 74.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.979 -172.462 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.8 m-20 -56.11 -75.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.314 0.578 . . . . 0.0 111.794 -178.609 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.406 ' HB3' HD12 ' A' ' 78' ' ' ILE . 98.0 m-85 -81.27 57.44 3.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.16 -175.159 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.88 -24.22 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.343 0.592 . . . . 0.0 110.225 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.531 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -67.16 -10.11 46.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.428 177.765 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 57.0 mt -94.18 -34.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.89 178.837 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.545 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 14.7 ptt180 -92.15 -64.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.384 177.514 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 3.8 m-20 -62.08 -51.43 67.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 111.411 -175.001 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.531 HD22 ' HA ' ' A' ' 77' ' ' ALA . 80.4 m-20 -76.41 -15.3 59.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.554 -172.001 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -91.87 -12.52 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.068 -0.395 . . . . 0.0 111.792 178.888 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.83 -34.41 77.87 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.826 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -47.23 85.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.803 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.733 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 16.7 m -91.25 18.82 6.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -171.875 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 143.38 15.82 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.486 175.512 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.639 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -98.91 -38.77 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.616 0.708 . . . . 0.0 111.368 -179.345 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.91 125.57 8.39 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.013 -174.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CE2' ' HE3' ' A' ' 115' ' ' LYS . 97.9 m-85 -121.16 115.73 23.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.789 -179.028 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.8 mt -93.89 111.42 23.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.706 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 107' ' ' PHE . 31.6 tp -92.73 106.34 18.33 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.844 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' A' ' 126' ' ' VAL . 48.3 t -119.36 131.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -171.888 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.473 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 35.8 p90 -144.13 158.83 43.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.474 173.419 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.662 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 1.5 m -83.54 139.34 32.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.855 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.484 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -70.83 8.9 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.468 -178.408 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.4 p -106.56 -0.93 23.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.235 0.541 . . . . 0.0 110.344 173.018 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 94' ' ' SER . 33.8 mt-10 -108.35 101.55 10.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.191 179.557 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -79.58 -28.45 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.38 -48.04 76.98 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -61.41 -30.48 70.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 178.303 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 142' ' ' GLU . 43.5 t80 -66.92 -48.55 68.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.798 175.388 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -35.2 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.125 0.488 . . . . 0.0 110.825 178.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 -14.64 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.617 -175.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 51.9 p -53.45 -38.57 63.69 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.563 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.95 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.04 -41.85 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 -178.19 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 91' ' ' LEU . 35.6 m-85 -57.38 -47.22 82.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.628 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -56.85 -54.02 51.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.213 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.28 -39.95 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -176.615 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' A' ' 113' ' ' ARG . 7.4 tp-100 -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.722 -177.716 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.3 mt -65.59 -39.27 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.696 178.26 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.87 -26.13 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 110' ' ' GLN . 69.1 ttt180 -65.15 -36.78 85.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -178.742 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.8 m -90.51 -4.89 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.409 . . . . 0.0 111.33 -178.667 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.9 mttm -124.59 -106.65 0.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.392 -175.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.88 -46.7 0.51 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.237 1.015 . . . . 0.0 113.405 178.409 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.42 1.86 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.116 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.08 -163.46 1.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.483 178.525 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.79 -90.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.049 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 33.4 mmtp -143.81 148.24 35.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -175.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 33.5 mt -111.92 95.48 29.26 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -177.178 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.639 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 4.2 Cg_exo -78.16 129.82 9.86 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.422 2.748 . . . . 0.0 112.205 179.218 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 89' ' ' PHE . 35.6 mt -119.99 156.53 30.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.544 ' CD1' ' HG2' ' A' ' 153' ' ' GLN . 15.0 tp -150.49 122.29 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 171.085 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.3 t -96.77 122.2 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.014 0.435 . . . . 0.0 110.083 -178.21 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 92' ' ' VAL . 46.2 t -108.16 127.51 64.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.706 -176.635 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 90.65 1.56 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.711 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -88.96 168.94 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.702 -0.293 . . . . 0.0 110.451 -174.649 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 29.3 mmtp 72.47 15.12 5.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 178.715 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 156' ' ' GLU . 23.2 t -61.77 -9.41 6.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.417 0.627 . . . . 0.0 110.655 -179.518 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 158' ' ' SER . 34.2 t70 -63.12 -14.59 50.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.68 177.685 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.6 mt -75.05 -43.54 52.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.205 176.412 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 63.28 -77.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.747 0.819 . . . . 0.0 112.636 177.239 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.59 4.52 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.432 . . . . 0.0 110.978 -172.186 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 75.6 mtt180 -110.08 7.5 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.831 179.307 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -56.36 118.71 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.287 -177.23 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.669 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 51.8 tp60 -92.0 -29.73 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -177.222 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.8 p -109.25 113.75 58.41 Favored Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.568 ' HD2' ' OE2' ' A' ' 142' ' ' GLU . 74.6 Cg_exo -52.11 125.52 17.61 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.637 2.225 . . . . 0.0 111.243 174.372 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.686 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.6 t -54.15 -28.89 18.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.861 -178.018 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.29 -41.48 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.513 -178.565 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.568 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 42.8 mt-10 -57.88 -46.12 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.75 0.786 . . . . 0.0 110.207 178.06 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.38 60.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.436 -1.257 . . . . 0.0 112.106 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' HG12 ' A' ' 140' ' ' VAL . 20.1 mtp180 -63.39 -41.62 98.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.137 0.494 . . . . 0.0 110.462 178.576 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -58.57 -34.45 71.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 176.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 48.0 mmtm -69.84 -43.77 71.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.29 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.04 -40.62 77.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.615 -178.698 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.07 -42.79 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.749 -179.53 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.33 -34.11 76.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.747 -178.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -87.65 -16.78 33.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.043 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.27 38.07 22.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.266 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.0 m -128.64 177.26 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.472 . . . . 0.0 111.264 -178.595 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.544 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -96.14 147.59 23.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.708 176.257 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.521 ' HE2' HG13 ' A' ' 140' ' ' VAL . 66.2 t80 -132.67 113.57 13.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.073 0.463 . . . . 0.0 109.761 171.221 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 167' ' ' LYS . 2.5 p -137.38 147.59 26.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.399 178.364 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 130' ' ' SER . 43.0 mt-10 -84.81 138.07 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 111.13 -175.205 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.5 m -122.39 140.23 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.483 -178.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 131' ' ' ASP . 59.3 p -126.28 132.8 51.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.714 175.574 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.5 -41.17 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.901 0.382 . . . . 0.0 111.605 -174.238 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -67.94 -35.59 78.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.973 -174.561 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.84 -4.97 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.554 176.639 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.442 ' HG2' HE22 ' A' ' 33' ' ' GLN . 51.9 mtm180 52.04 80.64 0.09 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.379 0.671 . . . . 0.0 111.922 -177.274 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.57 122.89 14.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 178.094 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 70.6 22.18 5.14 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.805 0.69 . . . . 0.0 112.246 175.629 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 34.2 t -78.39 -21.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.95 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.311 -177.662 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HD3' HG11 ' A' ' 155' ' ' VAL . 3.4 ptpp? -58.07 -52.76 64.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.282 -0.872 . . . . 0.0 113.234 -171.892 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.432 HG11 HG13 ' A' ' 126' ' ' VAL . 27.3 m -48.29 -38.16 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.119 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -75.94 -55.44 5.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.09 177.251 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.419 ' HA ' ' SD ' ' A' ' 173' ' ' MET . 49.2 m-85 -61.91 -36.66 81.99 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.717 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.15 -46.88 88.73 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.642 0.258 . . . . 0.0 110.897 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -66.5 -37.27 84.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.325 0.583 . . . . 0.0 109.848 178.164 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.49 ' HG2' HD12 ' A' ' 64' ' ' ILE . 65.5 mtp -60.91 -31.31 70.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.342 178.864 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -70.81 -47.9 56.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.044 178.66 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.48 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -53.51 -36.29 61.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.402 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.671 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 80.3 mt -56.04 -37.9 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 178.514 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 181' ' ' MET . 93.1 mtt180 -71.07 -52.17 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.037 -178.249 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.7 m -57.36 -38.57 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.217 -177.006 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -65.21 -45.92 82.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 178.291 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.8 mmtp -67.64 -28.74 67.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.647 0.261 . . . . 0.0 111.317 -178.693 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.7 mtt . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.113 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 120.664 0.269 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 48.4 mt-30 -63.23 -34.93 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.108 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.73 76.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.565 177.287 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.67 -39.76 97.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.775 177.547 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.464 HD12 ' HB3' ' B' ' 442' ' ' LYS . 27.1 mm -58.99 -47.78 88.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.817 0.341 . . . . 0.0 110.26 174.869 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.5 mttt -63.94 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 -179.002 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.54 -33.91 77.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 175.684 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' B' ' 439' ' ' LEU . 45.2 mt-10 -75.36 -37.57 60.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.232 175.05 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' B' ' 439' ' ' LEU . 90.2 mt -56.11 -53.71 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.496 174.761 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -28.45 69.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 110.83 -178.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 404' ' ' ARG . 20.9 ttt180 -62.37 -45.31 93.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 175.777 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.2 mm-40 -73.29 -31.67 64.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.356 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.93 -41.14 91.14 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.222 176.816 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -64.26 -47.42 79.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.435 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.3 mt -61.62 -49.41 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 -179.179 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 48' ' ' ALA . 14.4 tp -62.15 -40.03 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.849 179.036 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.21 -49.31 72.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.114 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.3 t -61.81 -55.16 32.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 -178.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.606 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.6 mm? -57.0 -30.44 64.17 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.097 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.447 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 8.6 m-70 -70.63 -48.62 54.11 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 122.163 -0.336 . . . . 0.0 110.905 175.578 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . 0.434 ' HA ' HE21 ' B' ' 417' ' ' GLN . 97.9 mtt180 -70.24 -52.48 22.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 0.0 111.706 -174.87 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.57 -33.06 72.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.978 -173.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' B' ' 425' ' ' LYS . 11.2 mp -81.95 -27.01 33.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.023 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' B' ' 414' ' ' ARG . 41.0 mt-30 -65.17 -23.78 67.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.739 0.304 . . . . 0.0 110.644 178.604 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.22 -21.57 78.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.517 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.11 -14.47 7.0 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.418 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.9 mt -79.51 116.04 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.283 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.572 ' NZ ' ' HB2' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -146.37 136.06 23.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.594 0.712 . . . . 0.0 111.067 -179.929 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.7 t70 -144.42 167.98 21.19 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -177.628 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.7 mm? -61.24 -39.53 90.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.815 0.34 . . . . 0.0 110.416 -178.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 428' ' ' ARG . 17.2 p -59.39 -37.83 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' B' ' 416' ' ' LEU . 44.3 mmtt -67.61 -46.16 73.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.245 0.545 . . . . 0.0 109.78 -176.273 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -67.8 -37.88 82.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.779 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 48.7 mt-10 -67.79 -45.92 73.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.213 175.687 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.699 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.4 mmt180 -60.45 -45.33 94.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.775 179.277 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.5 mt -56.32 -42.03 76.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.162 0.289 . . . . 0.0 111.53 -179.162 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.733 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 8.0 m95 -68.83 -32.67 72.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.404 177.84 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.942 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 49.5 mt-10 -68.63 -53.02 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.749 179.19 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.5 t -56.77 -34.54 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.379 179.779 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.499 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -55.16 -57.39 11.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.396 -1.274 . . . . 0.0 109.577 176.131 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.942 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 18.7 mtp180 -55.44 -46.55 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.74 -179.246 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 432' ' ' VAL . 9.5 mt -67.12 -38.76 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.012 -176.935 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.74 -47.13 85.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -77.85 -34.59 51.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -176.698 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.42 -36.73 84.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.502 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 401' ' ' GLU . 0.2 OUTLIER -63.38 -40.34 96.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.822 177.52 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' B' ' 444' ' ' ARG . 94.4 mttt -61.31 -38.34 86.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.219 176.787 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . 0.517 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.0 OUTLIER -68.79 -42.66 77.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.775 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -57.48 -33.05 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.911 176.891 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 56.6 tp -68.54 -36.36 78.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.598 176.435 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 440' ' ' LYS . 68.3 mtp180 -82.46 -9.29 59.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -91.42 -16.14 27.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.237 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.629 -179.555 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.21 14.38 1.51 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.858 -1.064 . . . . 0.0 113.871 176.946 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 tp -149.21 128.59 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 111.082 -179.063 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -137.41 149.96 47.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.243 178.939 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 37.8 mmtt -123.54 127.51 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.335 177.307 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 172' ' ' LEU . 16.3 m -128.44 108.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.557 0.694 . . . . 0.0 109.784 174.279 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.12 122.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.723 -176.62 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 92.3 mmm -86.36 111.02 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.856 179.097 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 91' ' ' LEU . 26.6 m -94.87 168.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.498 -177.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.97 31.47 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.172 179.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -105.29 12.63 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.386 0.612 . . . . 0.0 109.915 -177.177 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.32 -61.83 0.31 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.853 -179.95 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.06 44.02 1.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.07 -175.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 93' ' ' PHE . 48.5 t -89.79 -21.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.298 0.57 . . . . 0.0 110.121 176.538 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.74 63.41 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.871 -177.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -121.48 -37.05 2.96 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -173.514 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -67.24 -26.64 66.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.75 -49.0 33.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.31 -33.13 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.916 -172.701 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.51 -45.09 88.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.988 0.423 . . . . 0.0 110.727 -179.63 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 40' ' ' VAL . 95.9 mt -64.54 -29.44 70.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.808 HE22 ' HA ' ' A' ' 39' ' ' PHE . 22.1 mm-40 -66.83 -49.88 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.456 -178.761 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.514 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 89.6 t80 -69.11 -37.9 78.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.967 -179.222 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.3 mtm -74.61 -44.26 51.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.852 -175.802 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -110.23 -91.04 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.466 -176.474 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 171.59 -31.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.367 0.417 . . . . 0.0 110.472 -174.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.39 150.96 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -172.979 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.808 ' HA ' HE22 ' A' ' 33' ' ' GLN . 42.2 t80 -81.19 150.32 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.891 -178.012 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.0 p -64.71 118.45 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 111.297 -178.031 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.82 -49.51 4.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.441 178.12 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.39 108.72 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.514 178.239 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -158.26 106.11 1.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 110.855 -178.507 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.626 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 43.2 mt-10 -91.91 -53.99 0.27 Allowed Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.744 178.407 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 50.0 Cg_exo -53.47 106.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.752 2.301 . . . . 0.0 113.544 -175.182 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -153.42 35.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.229 172.014 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.79 -55.88 3.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.186 -178.135 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.07 27.35 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.368 177.753 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 12.2 m-20 -96.08 100.23 11.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.565 -172.694 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -106.84 148.65 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 171.596 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.471 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 68.6 m-85 -136.88 145.42 44.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.274 0.559 . . . . 0.0 111.765 -175.871 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -102.07 115.85 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.158 -175.068 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 64' ' ' ILE . 46.0 tptt -105.75 132.64 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.344 177.814 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.08 129.47 35.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.285 176.584 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.9 m -137.15 151.88 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.005 175.531 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.0 p -148.16 128.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.044 0.45 . . . . 0.0 110.455 176.934 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -115.37 95.96 5.42 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.445 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 45.1 29.81 0.54 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.252 0.97 . . . . 0.0 113.097 -179.71 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.53 -113.48 0.36 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.343 -1.408 . . . . 0.0 114.621 -175.388 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.4 pt-20 -90.9 146.03 24.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -171.188 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.75 108.39 5.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.37 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.7 t -106.68 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.223 -171.644 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -112.1 118.13 34.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 176.265 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.5 tt -104.5 117.76 50.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.396 176.457 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 21.9 t0 -94.52 124.71 38.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.907 -175.772 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -107.3 112.37 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -173.803 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.3 tp -101.53 113.32 26.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.031 178.704 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.54 85.72 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.404 0.621 . . . . 0.0 110.088 178.311 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 79' ' ' ARG . 25.7 m -62.94 142.74 58.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.588 -176.388 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 131.07 34.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.042 174.144 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.21 64.88 1.94 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.63 -176.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -143.71 153.2 42.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -75.65 -12.71 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.501 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -56.67 -71.6 0.09 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.469 0.652 . . . . 0.0 110.446 176.038 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.629 ' H ' HD13 ' A' ' 72' ' ' LEU . 95.2 m-85 -89.65 64.8 6.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.703 -178.228 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.64 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.042 177.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.14 -6.56 46.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.768 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.901 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 70.3 mt -109.13 -31.56 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.925 0.393 . . . . 0.0 110.403 178.193 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HA ' ' CG2' ' A' ' 69' ' ' THR . 56.6 ttp180 -92.86 -65.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 111.269 179.864 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.85 -53.71 9.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.564 0.697 . . . . 0.0 110.924 -173.012 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.725 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -76.75 -16.97 59.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.683 -170.759 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.901 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -84.59 -14.07 49.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -174.282 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 114' ' ' VAL . 18.1 m-30 -75.07 22.65 0.11 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 23.9 mmt180 -75.47 -82.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 179.484 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 m -80.19 44.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 112.055 -173.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.61 119.25 2.83 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 176.768 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.1 pm0 -90.3 -41.46 11.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.711 0.255 . . . . 0.0 110.781 -179.03 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 87' ' ' GLU . . . -93.9 131.69 10.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.151 -175.031 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -131.18 132.64 44.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.89 0.376 . . . . 0.0 111.409 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 109.64 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 176.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.509 HD23 HG21 ' A' ' 20' ' ' VAL . 73.9 mt -84.96 106.67 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.71 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.5 m -110.04 133.41 55.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.968 0.413 . . . . 0.0 111.24 -176.811 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' HA ' HG11 ' A' ' 25' ' ' VAL . 28.0 p90 -143.31 158.42 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.968 176.102 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 p -97.15 129.88 44.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 177.696 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.42 20.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -174.161 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 135' ' ' ARG . 33.5 p -116.5 -31.76 5.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 174.433 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.3 109.67 20.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.704 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -56.78 -44.81 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.627 -175.349 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -14.67 61.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -173.091 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.9 m -72.57 -32.23 65.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.13 -39.33 60.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.992 174.511 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 m -63.82 -32.08 73.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 176.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.32 61.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -175.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.5 p -55.14 -41.59 71.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.545 -178.096 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.26 80.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.47 -44.61 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.05 179.052 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.8 m-85 -58.19 -44.72 88.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.111 0.481 . . . . 0.0 109.931 175.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -55.52 -53.41 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.068 -178.472 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -64.28 -36.18 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.26 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -26.94 65.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.398 178.349 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -79.05 -46.0 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.458 178.033 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.24 -44.77 28.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.846 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -57.89 -33.87 69.2 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.695 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.2 m -85.07 -1.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.617 -177.402 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.7 mtmm -141.24 -85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.916 -178.676 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.32 -62.33 0.32 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.724 0.809 . . . . 0.0 112.858 177.452 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -84.04 31.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.66 0.384 . . . . 0.0 111.672 -172.995 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.579 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 13.4 mm-40 -87.64 -166.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.751 178.199 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.63 -82.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 174.726 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.975 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 31.9 mmmt -149.17 128.28 12.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.499 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 54.3 mt -101.92 110.5 62.38 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.696 0.284 . . . . 0.0 110.841 -178.105 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.603 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.1 Cg_endo -88.02 126.29 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.303 2.669 . . . . 0.0 112.141 177.436 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.8 141.44 48.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.599 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.6 tp -133.42 121.55 22.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.971 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.3 t -89.54 123.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.8 179.874 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.718 ' HB ' HG12 ' A' ' 92' ' ' VAL . 60.8 t -119.08 123.85 72.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 -177.312 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.18 126.78 8.81 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.298 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 4.8 p30 -113.48 165.95 11.98 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.2 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.543 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 35.7 mmtm 73.39 13.94 4.51 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.886 0.741 . . . . 0.0 110.297 -174.595 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 m -68.98 -4.6 17.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.231 0.539 . . . . 0.0 110.519 179.034 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.187 175.334 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.528 ' CD1' HG21 ' A' ' 96' ' ' THR . 84.8 mt -69.41 -61.45 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.655 -179.344 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 65.46 -69.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.765 0.665 . . . . 0.0 111.409 -178.099 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.902 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 8.0 pt-20 -59.96 -29.99 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 0.0 110.979 -178.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.902 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.4 mtt180 -102.15 12.93 36.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.316 -173.661 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm105 -61.28 112.95 2.35 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.668 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 96' ' ' THR . 78.8 mt-30 -92.19 -26.04 18.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.361 -174.099 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.9 116.6 56.94 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.103 174.083 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.94 113.48 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.782 2.321 . . . . 0.0 111.385 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.22 -4.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -171.229 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.86 -50.78 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.347 179.182 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.84 -27.35 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 178.5 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.8 88.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 0.0 110.428 177.873 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -68.15 -36.76 80.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.35 175.282 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -62.49 -33.48 74.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.074 178.386 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.9 mmtt -63.67 -30.79 71.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.55 178.767 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.1 -45.78 91.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.043 0.449 . . . . 0.0 110.213 176.151 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.34 -34.78 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.402 179.07 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -37.24 80.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.974 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -97.21 -5.92 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -176.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.48 34.38 40.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.428 179.386 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.66 -172.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.29 . . . . 0.0 110.784 -178.871 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.5 pm0 -114.08 151.99 31.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.528 174.834 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 57.9 t80 -123.03 122.03 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.078 176.939 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.19 133.4 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.269 -179.583 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -92.98 129.72 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 0.0 110.404 176.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -112.76 134.93 54.03 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.866 -178.7 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.7 m -107.8 124.74 50.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.27 -8.77 23.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 -176.308 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -76.57 -47.61 21.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.019 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.2 t -99.83 -5.53 28.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.524 178.326 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 60.74 80.61 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.072 -179.229 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.37 136.96 38.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -177.647 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 69.13 4.55 4.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.095 0.872 . . . . 0.0 111.809 177.559 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.0 t -69.34 -46.14 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.128 -175.9 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.514 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 4.0 m-20 -70.12 -42.41 72.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -177.716 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.31 -44.84 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.269 -170.566 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.4 m -57.39 -33.41 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.041 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.18 -43.84 69.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.722 0.296 . . . . 0.0 110.336 177.592 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -66.89 -41.49 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.859 178.749 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.29 -51.38 69.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.935 179.248 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 17' ' ' VAL . 39.3 tp -66.52 -35.72 80.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -178.108 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 64' ' ' ILE . 60.3 mtm -63.51 -33.35 75.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.164 178.452 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.549 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 21.2 mmt180 -64.77 -37.25 86.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.675 0.274 . . . . 0.0 110.662 177.639 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.475 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 15.1 mt-10 -69.79 -40.9 75.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.721 0.296 . . . . 0.0 110.515 176.197 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.494 HG23 ' HG3' ' A' ' 87' ' ' GLU . 76.1 mt -55.75 -38.85 52.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.463 -178.586 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 16.4 ptt180 -68.73 -45.68 70.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.903 -177.537 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 177' ' ' ARG . 26.3 m -64.29 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.464 -179.674 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.975 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.5 mptt -58.24 -57.34 13.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.659 178.317 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -76.41 -33.79 58.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -174.874 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.3 mtt . . . . . 0 CA--C 1.52 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.298 177.316 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.538 ' O ' HG12 ' B' ' 398' ' ' ILE . 16.9 m . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.95 0.405 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.18 -27.78 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.998 -178.384 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -55.49 -53.7 53.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.267 174.824 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.7 90.62 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 394' ' ' THR . 13.7 mm -58.89 -54.2 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.041 176.707 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.29 -37.61 78.14 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.909 -177.876 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 41.1 mm-40 -58.19 -47.74 82.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 178.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.654 ' HB3' HD21 ' B' ' 439' ' ' LEU . 48.0 mm-40 -71.67 -36.84 70.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.579 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.578 ' HA ' HD23 ' B' ' 439' ' ' LEU . 77.8 mt -53.94 -54.04 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.944 179.703 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 403' ' ' ARG . 11.2 ptp85 -69.78 -28.55 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.398 -178.412 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 74.3 ttt180 -59.02 -52.14 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.852 175.167 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.6 mm-40 -73.73 -27.59 61.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 39.4 mt-10 -59.09 -50.01 75.68 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.259 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.34 -44.57 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.726 178.71 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 412' ' ' LEU . 69.3 mt -61.85 -51.48 68.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.691 -179.058 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.509 HD13 HG13 ' B' ' 432' ' ' VAL . 36.2 tp -64.56 -35.41 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.836 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -65.12 -41.67 94.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.549 178.655 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -59.77 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.679 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -58.73 -37.83 77.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 175.268 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.836 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 9.9 m-70 -62.6 -45.11 94.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.232 177.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -77.39 -33.9 55.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.521 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -56.81 -51.86 67.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 53.0 mt -71.84 -26.79 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.228 -177.159 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.47 -17.4 62.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.384 179.39 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -86.19 17.15 39.39 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.674 179.659 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.87 20.22 76.47 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.653 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 40.0 mt -120.15 142.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' B' ' 416' ' ' LEU . 60.1 pttt -149.13 150.63 33.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.345 0.593 . . . . 0.0 111.288 174.32 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.621 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.5 t70 -146.7 160.19 42.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.434 179.798 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.17 -36.14 83.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.358 . . . . 0.0 110.993 -176.004 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 34.8 t -64.52 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.117 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.621 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.8 mmtt -64.21 -52.02 60.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.654 0.74 . . . . 0.0 109.698 -179.715 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.92 -46.0 92.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.128 -1.397 . . . . 0.0 110.985 -175.523 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.24 -48.34 80.38 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.385 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.599 ' O ' HG12 ' B' ' 432' ' ' VAL . 16.3 mmt180 -60.75 -37.04 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.61 178.897 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' B' ' 429' ' ' LEU . 11.2 mt -55.7 -56.2 23.28 Favored 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 123.122 0.264 . . . . 0.0 111.443 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.478 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 78.2 m95 -66.0 -30.39 70.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.578 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 34.4 tt0 -71.67 -56.75 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.6 p -63.58 -32.79 58.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.122 0.487 . . . . 0.0 110.215 -179.275 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -55.74 -50.95 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.623 175.61 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.578 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 0.8 OUTLIER -67.58 -26.63 66.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.714 -176.887 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.0 mt -75.63 -46.14 37.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.459 176.519 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.52 HD11 ' HE3' ' B' ' 440' ' ' LYS . 3.1 tm? -57.11 -42.63 81.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.156 177.363 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.429 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.6 t -72.63 -34.85 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.311 -178.073 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.41 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.313 0.578 . . . . 0.0 109.762 176.884 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' B' ' 401' ' ' GLU . 2.2 mp -63.22 -44.05 96.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.472 177.607 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' B' ' 436' ' ' LEU . 83.4 mttt -63.43 -34.31 77.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.511 178.286 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.06 -47.06 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 177.083 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -63.27 -31.44 72.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 179.894 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.11 -49.83 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.006 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . 0.851 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 2.8 mmp_? -84.02 -1.89 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.937 0.398 . . . . 0.0 112.047 178.539 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -80.28 -22.76 41.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.777 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.403 178.486 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 180' ' ' LYS . 1.3 pt? . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 121.089 0.471 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 1.59 36.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.075 0.941 . . . . 0.0 109.905 175.464 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' ' 16' ' ' LYS . 2.4 pt? -144.28 148.03 34.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.336 175.108 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 176' ' ' ILE . 57.3 m-70 -136.37 136.32 39.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -172.074 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -114.56 115.81 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 176.994 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.22 112.48 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.151 177.917 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 89' ' ' PHE . 56.7 mt -90.87 123.91 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -176.174 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmt -77.28 107.65 9.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 91' ' ' LEU . 51.4 t -95.0 133.16 36.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.982 0.42 . . . . 0.0 111.266 -172.714 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.04 160.35 27.35 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.714 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -64.85 -40.68 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.297 178.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' HA2' ' CA ' ' A' ' 71' ' ' GLY . . . -132.23 -70.04 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.654 175.386 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 69.57 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.253 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 94' ' ' SER . 44.8 t -44.47 -55.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.167 0.587 . . . . 0.0 112.174 -178.918 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.479 ' HA3' ' OD1' ' A' ' 128' ' ' ASN . . . -152.2 16.97 0.79 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.201 177.831 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HE2' ' OD2' ' A' ' 68' ' ' ASP . 19.8 ptmt -63.26 -43.96 96.51 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.964 -0.139 . . . . 0.0 111.259 -176.904 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -65.95 -30.85 71.49 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -177.762 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.99 -47.06 54.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.104 0.478 . . . . 0.0 110.854 178.49 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.14 -39.34 89.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.469 -177.071 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -67.26 -32.08 72.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.668 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.38 -41.93 88.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.033 175.987 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.562 ' HB2' HG11 ' A' ' 165' ' ' VAL . 88.0 mt-30 -76.03 -15.43 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.654 -177.887 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -72.38 -27.19 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 110.529 175.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -107.41 -51.39 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.185 -178.058 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.91 -28.5 15.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.234 -175.326 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.7 t0 62.63 31.14 16.94 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.041 0.924 . . . . 0.0 109.725 -176.576 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 40.9 mt-10 -117.92 156.98 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.554 178.517 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -85.16 150.51 24.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.67 107.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.533 0.682 . . . . 0.0 112.168 -174.275 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.74 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.591 172.381 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.99 121.28 13.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.786 177.345 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -163.64 93.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.246 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.9 tp10 -93.41 -39.37 0.33 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.816 178.85 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 66.2 Cg_exo -40.22 136.95 1.5 Allowed 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 122.26 1.973 . . . . 0.0 111.711 171.4 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 45' ' ' PRO . 2.9 t 171.24 -10.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.601 -166.734 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' O ' HD13 ' A' ' 78' ' ' ILE . 21.8 mtpp -72.63 -58.95 2.97 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 -171.529 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' B' ' 409' ' ' LEU . . . -126.41 11.51 7.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.741 0.781 . . . . 0.0 109.43 174.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -78.31 125.95 30.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.895 -175.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 70.1 m -152.67 163.46 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -177.856 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -133.96 139.0 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 0.0 111.803 -171.198 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -95.97 107.01 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.119 170.848 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -97.82 128.62 44.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 36.4 ttpt -107.5 126.85 53.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.282 0.563 . . . . 0.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 m -129.03 143.88 39.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.255 178.33 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 13.9 p -92.08 119.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.573 0.701 . . . . 0.0 110.997 -175.266 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' HG21 ' A' ' 62' ' ' VAL . 53.8 mt -113.81 106.63 14.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.544 179.612 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 73.89 7.96 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.783 172.546 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.46 -32.31 2.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.38 175.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.38 140.65 37.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.723 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 54' ' ' LYS . 65.8 mt-10 -76.76 116.56 17.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.476 0.655 . . . . 0.0 109.777 178.053 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 t -107.24 154.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.337 -171.679 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 39.2 mt-30 -112.38 135.52 52.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.048 0.451 . . . . 0.0 111.985 -170.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -125.21 127.74 72.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.36 0.6 . . . . 0.0 109.499 171.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 23.2 t0 -101.87 120.56 40.58 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.212 -173.513 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 50' ' ' SER . 36.3 mm -109.12 113.64 44.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.889 -174.867 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' OG ' ' A' ' 50' ' ' SER . 44.3 tp -101.08 127.34 47.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 8.4 t70 -98.98 -177.54 3.66 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.641 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -148.57 141.16 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.102 0.41 . . . . 0.0 112.076 -171.444 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.12 126.0 30.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.323 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.439 ' CA ' ' HA2' ' A' ' 23' ' ' GLY . . . -79.18 62.02 4.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.155 -174.971 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -160.61 156.68 26.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.784 0.326 . . . . 0.0 111.136 -179.679 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.97 -12.06 55.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.615 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.474 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.6 m-20 -53.94 -52.39 60.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.449 0.642 . . . . 0.0 110.447 178.326 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.448 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.9 m-85 -104.07 65.37 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.616 176.576 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.77 -25.42 60.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.206 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.994 ' HA ' ' HB3' ' A' ' 81' ' ' ASN . . . -67.17 -5.85 15.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.15 179.26 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 ' O ' ' A' ' 47' ' ' LYS . 51.4 mt -96.92 -43.03 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.981 179.171 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -93.84 -66.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.565 0.697 . . . . 0.0 110.917 177.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.44 -55.99 5.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.582 -168.086 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.994 ' HB3' ' HA ' ' A' ' 77' ' ' ALA . 8.5 t-20 -71.41 -16.14 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.665 -173.115 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -82.0 -20.16 38.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.838 -178.633 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.622 ' HB2' HG21 ' A' ' 114' ' ' VAL . 21.5 m-85 -70.09 81.43 0.5 Allowed 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.988 0.423 . . . . 0.0 110.366 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 19.8 mmm180 -145.04 -79.45 0.18 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 179.628 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 m -72.38 -5.0 33.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.867 -176.673 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.46 136.61 15.23 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.436 175.865 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 35.8 tt0 -93.84 -62.49 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 -177.521 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.509 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.8 141.46 18.67 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.533 -175.939 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 18' ' ' ILE . 98.5 m-85 -125.62 127.28 46.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 110.977 179.05 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -103.08 109.68 21.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 20' ' ' VAL . 52.8 mt -91.24 107.82 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.026 -177.458 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.752 HG12 ' HB ' ' A' ' 126' ' ' VAL . 31.5 m -101.91 141.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.0 111.953 -176.033 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -150.6 175.58 11.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.511 174.778 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.45 ' HB2' HG11 ' A' ' 25' ' ' VAL . 47.2 t -118.01 143.84 46.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.319 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.64 -0.84 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.968 179.881 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD13 ' A' ' 132' ' ' LEU . 43.1 p -111.17 -7.68 14.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 174.028 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.26 91.32 3.57 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.937 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -69.38 -22.18 63.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.25 -177.265 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.6 -52.77 64.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.882 177.798 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 66.9 m -71.73 -25.77 62.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.839 178.584 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.44 -45.14 95.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.821 0.343 . . . . 0.0 110.234 176.308 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.231 0.539 . . . . 0.0 110.3 177.111 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.07 -15.31 63.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.117 -177.499 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 45.2 p -58.24 -36.99 74.02 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 178.429 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.39 88.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.265 177.005 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 9.8 tp10 -64.12 -37.44 87.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.948 178.823 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -62.89 -49.21 75.71 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.274 175.522 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -56.48 -50.8 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.131 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.7 -28.76 68.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.821 -178.861 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.8 tp-100 -63.86 -41.3 97.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 178.212 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 107' ' ' PHE . 68.2 mt -61.34 -43.68 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.988 179.555 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -73.23 -21.36 60.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.948 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -78.92 -26.98 43.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 -177.672 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.1 m -107.88 -24.06 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.678 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 25.0 mtpp -110.03 -88.77 0.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.245 -179.406 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.02 -60.93 0.29 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.1 46.03 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.027 0.442 . . . . 0.0 111.591 -173.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 5.6 mm-40 -102.87 -162.4 0.91 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.856 -176.905 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.07 -69.61 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.52 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -144.95 129.3 17.82 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.214 177.654 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 111' ' ' ILE . 68.9 mt -105.69 107.3 59.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 87.2 Cg_endo -90.82 127.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.19 2.593 . . . . 0.0 112.771 176.104 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.7 122.59 42.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.486 -179.231 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 153' ' ' GLN . 10.8 tp -114.2 120.55 40.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.071 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.14 122.41 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.482 -176.837 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.752 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.3 t -108.65 109.86 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.538 -176.948 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.88 112.36 3.7 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.038 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.479 ' OD1' ' HA3' ' A' ' 26' ' ' GLY . 3.7 t-20 -100.98 172.69 6.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.971 0.385 . . . . 0.0 110.335 -176.027 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 71.09 21.04 4.99 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.664 0.602 . . . . 0.0 111.367 175.337 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.5 m -62.19 -7.7 4.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -179.314 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.02 -18.44 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.879 177.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 96' ' ' THR . 72.3 mt -70.33 -73.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.69 -174.709 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 67.18 -65.74 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.458 0.703 . . . . 0.0 111.962 -177.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.898 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.4 pt-20 -59.31 -30.79 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.525 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.898 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 84.5 mtt180 -106.41 14.72 26.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.13 -173.69 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -55.24 121.28 8.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 -177.319 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.22 -28.34 14.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.02 123.85 27.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.731 176.773 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.1 119.12 5.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.64 2.226 . . . . 0.0 111.234 176.483 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.676 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.4 p -74.22 -13.72 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.702 -173.936 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.09 -49.73 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.23 -20.9 60.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 110.477 178.115 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.87 -33.55 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.122 0.487 . . . . 0.0 110.139 175.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 67.7 mtp180 -68.51 -31.89 71.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.364 0.602 . . . . 0.0 109.391 173.348 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 23.0 t -71.91 -36.12 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.098 -176.515 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -52.92 -52.07 59.07 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.533 176.481 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -60.55 -39.1 86.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.99 177.905 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.03 -37.39 87.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.414 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 43.8 mt-10 -64.66 -35.64 81.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.391 . . . . 0.0 110.954 177.416 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -84.55 -4.76 59.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -177.296 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.29 27.92 65.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.434 HG23 ' HB1' ' A' ' 147' ' ' ALA . 32.9 m -120.79 179.9 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 -178.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.626 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -101.58 153.59 19.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.466 172.911 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.509 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 52.4 t80 -117.57 120.03 36.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 47.0 t -115.24 125.78 72.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.551 -179.748 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -89.55 126.91 35.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.108 177.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.5 p -114.15 129.05 56.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.482 0.658 . . . . 0.0 111.303 -175.231 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.0 m -109.14 127.13 53.92 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.494 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -106.78 -25.18 11.83 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.456 -172.726 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.36 -40.46 23.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.072 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.0 p -90.54 -13.1 35.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.494 176.733 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 61.1 87.61 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.395 179.555 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.22 128.21 12.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.903 -178.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 66.87 18.57 10.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.747 0.655 . . . . 0.0 111.936 175.478 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 33' ' ' GLN . 85.4 t -66.87 -50.08 68.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -178.123 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -76.24 -18.35 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -178.388 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.26 -48.54 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.451 -175.226 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 30.6 m -62.47 -30.95 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.279 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.6 -51.05 15.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.147 -177.868 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 49.4 m-85 -68.71 -34.4 75.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.146 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.05 -52.3 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.194 -177.118 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.06 -26.63 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.271 0.558 . . . . 0.0 109.918 -179.512 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.418 ' SD ' HD11 ' A' ' 57' ' ' LEU . 7.9 ttm -63.3 -39.81 95.61 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.134 176.869 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 9.1 mmm180 -69.42 -34.35 74.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.388 -176.586 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.4 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 0.0 110.967 177.591 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 15' ' ' HIS . 74.3 mt -63.64 -25.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 111.132 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -59.86 -49.59 77.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.542 179.167 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 4.5 m -59.34 -36.46 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.272 -175.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.447 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.6 -51.65 66.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 180' ' ' LYS . 12.7 mmtp -74.47 -19.69 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.662 -175.42 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.963 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.518 ' O ' HG12 ' B' ' 398' ' ' ILE . 3.6 m . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.638 0.256 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.07 -27.58 68.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.792 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -64.32 -49.53 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.122 177.45 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . 0.401 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -61.72 -36.73 93.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.699 176.393 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.518 HG12 ' O ' ' B' ' 394' ' ' THR . 43.5 mm -60.83 -47.93 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.198 . . . . 0.0 110.557 176.347 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -59.68 -33.97 72.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.593 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.1 mt-10 -60.61 -47.35 86.6 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.025 0.441 . . . . 0.0 110.243 176.624 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 19.6 mt-10 -73.25 -35.53 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.976 -178.107 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.578 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.9 mt -56.71 -53.7 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.502 174.549 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.49 -29.42 70.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 -179.021 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.0 ttm180 -60.19 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.254 174.946 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 69.8 mm-40 -72.85 -37.61 67.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.487 -177.567 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 82.7 mt-10 -60.84 -37.65 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.374 179.026 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.85 -47.5 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.806 175.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.7 mt -61.5 -46.5 89.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 -179.768 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 18.7 tp -61.67 -45.83 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 178.635 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -57.38 -44.51 84.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.937 179.003 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.9 t -60.14 -55.21 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.414 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -53.97 -39.87 66.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 111.136 177.58 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . 0.503 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 27.1 m-70 -65.14 -48.31 74.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.832 178.381 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -68.69 -44.21 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.243 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.08 -33.99 72.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.955 0.407 . . . . 0.0 111.613 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.4 mp -66.03 -29.37 69.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.8 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.27 -9.51 56.18 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.973 179.411 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.85 3.69 63.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.115 176.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.82 68.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.111 178.256 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.18 119.44 33.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.885 0.374 . . . . 0.0 110.682 -177.895 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -133.42 134.18 43.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 172.405 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.679 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.4 t70 -148.22 162.34 39.67 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.13 -27.1 69.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.376 0.607 . . . . 0.0 109.618 177.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 11.4 m -73.53 -36.14 65.64 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.035 -178.593 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' B' ' 416' ' ' LEU . 0.1 OUTLIER -70.08 -36.39 74.88 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.695 -173.123 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.567 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.5 pt-20 -73.76 -44.84 54.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.468 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.43 -35.19 80.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.94 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.645 ' O ' HG23 ' B' ' 432' ' ' VAL . 22.7 mmt180 -64.14 -44.62 91.59 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.498 175.605 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 10.9 mt -56.5 -53.87 52.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.704 -179.231 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 86.7 m95 -62.86 -31.4 72.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.044 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.29 -54.04 20.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.392 174.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 428' ' ' ARG . 21.3 t -56.82 -36.05 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 109.37 178.345 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -56.75 -55.29 36.05 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.475 179.15 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.693 ' HD3' HG13 ' B' ' 435' ' ' ILE . 0.0 OUTLIER -68.78 -26.31 65.14 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.441 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.693 HG13 ' HD3' ' B' ' 434' ' ' ARG . 22.1 mt -72.33 -44.15 63.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 110.058 176.001 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -63.49 -44.22 95.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.477 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.658 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.2 t -69.68 -30.86 68.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.011 0.434 . . . . 0.0 110.077 -178.978 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.693 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.86 -43.69 82.92 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.716 173.757 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 0.872 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.444 -178.996 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -58.9 -39.3 81.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.682 0.753 . . . . 0.0 109.793 175.925 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -65.62 -40.72 92.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.962 178.026 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' B' ' 439' ' ' LEU . 24.3 mtpp -61.44 -32.4 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.331 176.678 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.494 ' HA ' HG21 ' B' ' 398' ' ' ILE . 44.8 tp -59.57 -44.93 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.716 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -83.74 -2.89 57.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 176.662 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . 0.663 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 30.5 tt0 -82.2 -31.77 30.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 178.328 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.086 -178.176 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--O 1.236 0.39 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.84 8.8 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.468 0.651 . . . . 0.0 110.488 178.361 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 tp -139.24 128.92 24.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.977 177.87 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -136.93 152.62 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.107 0.48 . . . . 0.0 111.891 -176.822 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 23.1 mmtp -122.41 112.52 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.396 178.047 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -121.5 129.79 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.731 -176.596 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE2' ' A' ' 89' ' ' PHE . 51.0 mt -107.45 127.91 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.95 -178.046 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.657 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 19.0 mmt -78.58 111.66 14.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.414 173.616 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 HD23 ' A' ' 91' ' ' LEU . 16.9 m -115.34 138.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.114 0.483 . . . . 0.0 111.07 -178.493 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.3 158.14 12.78 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.703 -179.163 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -84.14 122.39 28.77 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.843 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 -93.33 1.3 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.453 -175.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' HA2' ' CD ' ' A' ' 27' ' ' LYS . . . 162.01 65.92 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.52 176.511 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.08 -68.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.722 -179.277 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.68 14.11 4.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.395 -179.094 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.863 ' HB3' HG21 ' A' ' 92' ' ' VAL . 11.9 ptmm? -72.41 -11.03 60.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.32 . . . . 0.0 111.491 -175.422 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -109.9 -30.03 8.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 176.796 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.44 -55.08 7.59 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.28 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.6 -31.81 72.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.057 0.456 . . . . 0.0 111.347 -174.745 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.547 HG21 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -64.37 -39.76 94.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.01 -174.349 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.857 HD12 ' HB ' ' A' ' 40' ' ' VAL . 73.3 mt -66.35 -23.16 66.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.653 0.263 . . . . 0.0 111.364 -178.594 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -71.27 -44.2 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.155 0.502 . . . . 0.0 109.915 175.432 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.22 -38.05 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp -70.85 -57.66 4.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.246 -178.878 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 98.7 m-85 -106.06 -80.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -176.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.4 t70 157.59 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.297 0.998 . . . . 0.0 108.946 -172.323 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -95.49 153.89 17.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.025 -172.124 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -83.18 150.5 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.242 -175.181 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.857 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.4 p -67.68 123.02 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -92.97 -42.85 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.609 176.364 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.58 137.04 8.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.536 172.341 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.38 94.17 0.97 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.645 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.5 mt-10 -74.45 -58.78 1.75 Allowed Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.06 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.3 Cg_exo -58.84 -91.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.456 2.104 . . . . 0.0 114.036 -170.217 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 40.4 p 50.19 32.39 5.99 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.143 0.577 . . . . 0.0 111.441 -174.235 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 70' ' ' ALA . 37.7 mtmt -87.24 -50.77 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.778 177.02 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.07 27.59 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.228 178.923 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 22.0 m-20 -89.63 111.46 22.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.3 0.571 . . . . 0.0 110.963 -177.424 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' B' ' 433' ' ' GLN . 41.9 t -122.45 140.76 52.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.688 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -135.24 132.7 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.789 0.328 . . . . 0.0 110.292 -177.529 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -95.12 127.58 41.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.75 179.533 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -117.18 133.7 55.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.759 -177.52 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -101.31 122.76 44.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.542 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 53' ' ' LYS . 20.3 m -132.66 144.7 35.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.107 177.483 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.3 p -116.56 103.18 14.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.539 0.685 . . . . 0.0 109.76 177.043 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 ' HE ' ' A' ' 174' ' ' ARG . 2.5 pt? -96.46 98.37 10.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.577 0.703 . . . . 0.0 110.435 -177.968 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 61.19 15.64 6.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.098 174.199 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.37 -85.33 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 118.394 -1.86 . . . . 0.0 115.593 -176.426 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' CD ' HH12 ' A' ' 177' ' ' ARG . 8.3 pt-20 -100.61 148.64 24.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 111.595 -168.595 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.45 105.85 5.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.47 174.57 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 13' ' ' ALA . 8.2 t -106.17 136.17 41.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.593 -175.81 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -113.18 123.79 51.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 -176.848 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 173' ' ' MET . 10.2 tt -122.65 120.07 59.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.836 -175.979 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.3 m-20 -88.3 120.56 29.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.386 176.934 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.547 HG21 HG21 ' A' ' 31' ' ' THR . 47.5 mm -107.15 120.83 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.669 0.271 . . . . 0.0 110.517 -179.334 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.26 115.41 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.428 176.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 33.1 t0 -98.95 105.87 18.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.029 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -85.57 152.91 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.266 -174.959 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 47' ' ' LYS . . . -73.89 118.89 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.04 173.146 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.62 62.85 3.47 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.763 -178.224 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -138.62 -172.34 3.28 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.239 0.215 . . . . 0.0 110.623 179.997 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -100.07 -22.69 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.189 0.519 . . . . 0.0 111.036 -176.861 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.52 -65.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.594 -174.181 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.404 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 90.6 m-85 -82.54 67.79 8.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 -172.787 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.87 -23.83 65.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.19 179.217 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.56 -29.47 70.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.987 178.838 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 9.8 mt -89.43 -25.01 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.985 -179.137 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -92.04 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.384 -176.072 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.66 -44.94 39.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.901 -173.264 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.571 HD22 ' HA ' ' A' ' 77' ' ' ALA . 93.3 m-20 -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.248 -170.269 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' OH ' HD11 ' B' ' 409' ' ' LEU . 25.9 m-85 -83.1 -11.34 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.491 174.711 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -76.27 77.8 3.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 179.161 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 31.3 ttt-85 -162.66 -62.15 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.023 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -67.3 -23.43 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.559 178.825 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.53 124.02 17.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.831 177.818 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 25.0 mt-10 -85.3 -64.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.144 0.497 . . . . 0.0 110.333 -176.785 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.74 150.57 18.79 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.672 -175.661 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 115' ' ' LYS . 87.9 m-85 -129.13 128.31 43.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 0.0 110.695 -178.961 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.62 110.66 23.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 176.764 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.714 HD12 HG22 ' A' ' 125' ' ' VAL . 78.3 mt -81.92 107.42 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.356 179.27 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.863 HG21 ' HB3' ' A' ' 27' ' ' LYS . 27.2 m -98.23 120.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.557 0.694 . . . . 0.0 111.408 -176.308 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.7 p90 -151.3 166.37 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.974 176.691 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.79 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 12.6 t -118.68 146.49 44.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.931 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.81 -2.04 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.731 -176.752 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.457 ' CG2' HD22 ' A' ' 132' ' ' LEU . 18.8 p -94.28 -28.27 15.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.878 0.371 . . . . 0.0 110.284 171.26 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.1 mm-40 -90.67 95.56 10.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.858 -177.519 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -67.97 -29.53 68.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.571 -176.863 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.78 -39.7 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.33 . . . . 0.0 110.344 179.09 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 93' ' ' PHE . 17.0 m -62.91 -37.54 87.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.377 178.33 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.41 -42.99 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.809 179.856 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.9 m -69.29 -34.15 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 111.253 -179.946 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.94 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.695 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.534 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 67.7 p -61.02 -28.89 69.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -177.63 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.11 80.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.729 -178.696 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.93 -42.36 94.76 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.703 -179.636 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 13.0 m-85 -60.48 -50.58 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.863 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -51.28 -58.41 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.447 -178.532 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.84 -30.35 69.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.462 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.63 -32.67 68.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.014 0.435 . . . . 0.0 110.242 -179.678 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.1 mt -65.76 -47.81 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.782 177.865 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.82 -19.47 65.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.743 -179.321 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -71.06 -41.93 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.637 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.5 m -101.23 -19.97 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.554 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 114' ' ' VAL . 24.5 mtpp -119.4 111.25 17.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.683 0.277 . . . . 0.0 111.432 -175.929 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.51 20.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 110.476 172.82 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CD ' HH21 ' A' ' 84' ' ' ARG . 28.4 mt-10 -105.15 -0.06 26.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.999 -174.475 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 5.3 pt-20 -111.46 -170.82 1.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.477 -169.975 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.45 -75.37 0.05 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.294 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.592 ' HB2' ' CG ' ' A' ' 179' ' ' LYS . 65.6 mmtt -157.09 161.49 39.44 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.386 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mt -109.67 102.84 51.5 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 -177.813 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_endo -88.42 116.62 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.757 2.971 . . . . 0.0 112.638 179.6 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.75 152.39 24.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.301 176.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -136.08 120.81 18.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.712 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.714 HG22 HD12 ' A' ' 91' ' ' LEU . 10.7 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.531 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -109.01 116.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -174.366 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.61 101.41 2.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.634 177.295 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.465 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.4 m120 -82.64 143.9 30.67 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 -178.692 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.436 ' HD2' ' OD1' ' A' ' 131' ' ' ASP . 23.9 tptm 63.34 71.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.789 0.681 . . . . 0.0 110.24 177.768 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.7 p -97.18 9.4 42.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.388 0.614 . . . . 0.0 109.783 176.437 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.436 ' OD1' ' HD2' ' A' ' 129' ' ' LYS . 4.0 m-20 -67.16 -20.97 65.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.218 -176.91 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.6 OUTLIER -72.11 -47.73 49.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 -179.291 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 62.22 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.378 0.671 . . . . 0.0 112.1 -179.132 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.29 -27.65 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.573 -173.647 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 48.5 mtt180 -84.38 17.54 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 -177.331 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -64.17 114.38 4.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.101 0.476 . . . . 0.0 110.753 -178.076 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -176.894 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.84 112.48 32.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 134.61 53.99 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.784 2.322 . . . . 0.0 112.025 -179.571 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.4 t -58.77 -26.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.823 178.763 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.31 -36.15 68.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -78.79 -40.87 31.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.342 0.591 . . . . 0.0 110.264 178.722 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.203 179.179 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 78.6 mtp180 -65.09 -34.97 79.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.32 178.253 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -59.18 -45.2 91.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.22 176.351 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 65.9 mmtt -66.13 -36.22 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.133 179.633 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.35 80.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.251 0.548 . . . . 0.0 110.17 174.566 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -72.72 -49.29 32.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.545 178.384 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.11 -43.59 91.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.633 -177.452 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -83.06 -25.62 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -176.692 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.71 45.09 5.29 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.18 -179.651 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.9 m -132.85 -174.91 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 -177.691 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . 0.788 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -106.08 156.75 18.11 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 175.785 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.409 ' HE2' HG13 ' A' ' 140' ' ' VAL . 78.3 t80 -128.87 123.26 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.164 178.141 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.426 HG13 ' ND2' ' A' ' 164' ' ' ASN . 96.9 t -132.73 125.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -178.61 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -86.05 144.92 27.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.811 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 p -135.65 130.78 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 111.841 -173.223 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 163' ' ' ALA . 4.7 p -118.29 102.3 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.148 175.804 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.35 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.891 -177.113 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.98 -42.95 36.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 178.042 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 16.6 p -110.41 5.24 21.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.408 -179.519 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 64.01 24.57 13.61 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.097 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.421 ' HB3' ' OG ' ' A' ' 158' ' ' SER . . . -80.91 122.42 27.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.878 -174.018 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.426 ' ND2' HG13 ' A' ' 155' ' ' VAL . 1.0 OUTLIER 66.5 11.45 8.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.169 174.394 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.475 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.4 t -75.63 -37.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 -177.156 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.37 -38.46 84.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.727 -178.342 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.353 -174.736 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -57.77 -32.89 43.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -173.308 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -75.52 -52.57 10.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 179.244 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -69.09 -39.01 79.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.551 -176.057 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.72 -50.05 75.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.203 -177.532 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.0 tp -67.82 -39.04 83.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.811 -177.491 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 64' ' ' ILE . 41.8 mtm -60.91 -34.36 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.592 -179.903 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.827 ' HE ' HD11 ' A' ' 57' ' ' LEU . 7.2 mmt85 -75.97 -38.05 57.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.857 178.389 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.617 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.8 mm-40 -61.25 -35.57 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 176.352 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.534 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 83.6 mt -59.11 -40.63 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 109.96 173.744 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.416 HH12 ' CD ' ' A' ' 60' ' ' GLU . 29.6 mtp180 -68.6 -37.59 79.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 m -55.52 -42.76 74.98 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.408 0.623 . . . . 0.0 110.011 174.474 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.617 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.3 mptt -70.69 -41.45 71.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.534 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 75.1 mmtt -62.56 -33.19 74.44 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.248 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.5 mtt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.476 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 394' ' ' THR . . . . . 0.54 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.6 m . . . . . 0 N--CA 1.445 -0.709 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 395' ' ' GLN . . . . . 0.452 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 52.2 mt-30 -60.69 -36.17 78.09 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.11 178.063 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 396' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.05 -55.18 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.952 0.406 . . . . 0.0 110.726 177.475 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.82 95.03 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.233 178.69 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 394' ' ' THR . 45.5 mm -61.5 -47.69 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 110.714 177.655 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 399' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 56.5 mtpt -63.8 -36.88 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.183 -178.132 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 400' ' ' GLU . . . . . 0.614 ' HG2' HH21 ' B' ' 403' ' ' ARG . 32.6 mt-10 -68.03 -36.06 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.246 176.832 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.98 -39.59 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.96 177.252 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 402' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' B' ' 439' ' ' LEU . 96.6 mt -56.14 -53.15 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.228 174.263 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 403' ' ' ARG . . . . . 0.614 HH21 ' HG2' ' B' ' 400' ' ' GLU . 49.8 mtm180 -55.57 -38.16 69.01 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.032 0.444 . . . . 0.0 110.873 -178.777 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 404' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.3 ttm180 -62.17 -52.09 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.779 -179.756 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 405' ' ' GLN . . . . . 0.651 HE21 HG23 ' B' ' 432' ' ' VAL . 15.5 mm100 -73.0 -27.44 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.61 -177.455 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.52 -54.12 50.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.39 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.69 -41.29 97.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.152 -179.462 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 60.7 mt -60.2 -50.86 72.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 -179.223 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 409' ' ' LEU . . . . . 0.577 HD13 HG13 ' B' ' 432' ' ' VAL . 42.4 tp -70.18 -36.17 74.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.016 178.986 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.45 -47.65 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.421 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.3 t -59.77 -40.98 90.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.004 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 412' ' ' LEU . . . . . 0.765 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 56.6 mt -58.73 -49.69 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 173.739 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -57.29 -48.47 78.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.395 -177.992 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.55 -31.53 69.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -176.697 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.17 -48.2 62.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.621 178.342 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 416' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 23.3 mt -61.61 -42.15 98.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.47 -9.76 28.42 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.442 -178.943 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.48 -10.51 85.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.511 173.7 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.24 16.15 11.63 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.529 178.898 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 420' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 25.2 mt -131.98 117.45 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 O-C-N 122.838 -0.213 . . . . 0.0 111.211 -178.451 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 421' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' B' ' 416' ' ' LEU . 0.0 OUTLIER -135.5 165.14 26.21 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 172.185 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' B' B ' 422' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 20.5 t70 -147.79 154.35 40.37 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.084 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.45 -30.41 68.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 -177.589 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -35.48 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.12 177.647 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 425' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' B' ' 429' ' ' LEU . 20.0 mttt -73.37 -43.94 59.65 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -177.152 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 426' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 429' ' ' LEU . 1.1 mm-40 -57.15 -41.64 79.52 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.086 -177.502 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.586 178.785 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 428' ' ' ARG . . . . . 0.546 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 mmt180 -59.53 -40.97 88.91 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.012 176.269 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 429' ' ' LEU . . . . . 0.669 HD11 HD11 ' B' ' 416' ' ' LEU . 84.1 mt -55.82 -54.87 39.21 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.723 -177.514 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 430' ' ' TRP . . . . . 0.546 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 57.8 m95 -61.31 -41.57 97.21 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.197 0.311 . . . . 0.0 111.745 -178.017 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 431' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 7.9 tp10 -70.65 -53.79 14.43 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.265 -176.145 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 432' ' ' VAL . . . . . 0.651 HG23 HE21 ' B' ' 405' ' ' GLN . 12.3 p -60.61 -33.73 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 0.0 110.709 -179.512 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 433' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 50' ' ' SER . 25.9 tp60 -56.29 -53.31 58.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.303 177.766 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 434' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 0.0 OUTLIER -71.04 -26.61 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.505 -179.059 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' B' B ' 435' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' B' ' 432' ' ' VAL . 84.1 mt -66.2 -47.96 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.56 175.588 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 436' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' B' ' 439' ' ' LEU . 49.8 tp -58.1 -40.63 81.67 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.782 0.325 . . . . 0.0 111.692 176.359 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 437' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 434' ' ' ARG . 4.1 t -74.24 -31.6 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 -177.299 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 438' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.91 -37.0 86.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 439' ' ' LEU . . . . . 1.103 HD23 ' HD3' ' B' ' 442' ' ' LYS . 63.9 mt -62.0 -37.12 83.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.788 176.168 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.25 -38.84 81.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 109.571 175.246 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -66.68 -44.66 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.264 177.851 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 1.103 ' HD3' HD23 ' B' ' 439' ' ' LEU . 53.6 mtpt -58.24 -40.48 81.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.159 178.468 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 443' ' ' LEU . . . . . 0.451 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.5 tp -61.21 -42.93 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.012 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.057 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -90.32 -39.21 12.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.95 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' B' B ' 446' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.294 -176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -128.84 10.12 5.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.83 0.348 . . . . 0.0 110.928 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -67.37 -22.97 65.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.844 0.354 . . . . 0.0 111.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' HD2' ' A' ' 180' ' ' LYS . 19.9 m -88.19 3.51 49.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.458 0.647 . . . . 0.0 110.685 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.5 mt -108.72 -25.05 11.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.48 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -84.79 2.54 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.438 0.637 . . . . 0.0 110.633 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 tp -124.93 124.45 42.07 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.219 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -123.86 138.73 54.44 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.661 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' ' HB3' ' A' ' 65' ' ' ASP . 62.3 mmtt -118.11 116.31 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' HB ' HD13 ' A' ' 66' ' ' ILE . 97.7 t -129.68 121.93 53.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.043 0.449 . . . . 0.0 111.208 -176.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.567 HD12 ' CE2' ' A' ' 89' ' ' PHE . 57.5 mt -105.14 131.75 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.09 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.549 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 44.3 ttm -111.06 118.65 36.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.891 0.376 . . . . 0.0 110.46 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.08 162.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.32 -165.76 20.99 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 21.3 t -92.97 4.95 53.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.653 0.74 . . . . 0.0 109.762 -177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.68 -64.94 0.49 Allowed Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.063 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.93 -91.17 1.77 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.1 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG11 HG12 ' A' ' 92' ' ' VAL . 96.8 t 71.23 -51.75 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 123.415 0.686 . . . . 0.0 111.448 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.641 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 139.03 24.38 0.32 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.55 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 16.5 pttp -81.25 12.15 3.76 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.6 m -106.8 -33.34 7.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.033 0.444 . . . . 0.0 110.102 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.63 -41.18 69.14 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.99 -39.81 79.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.159 0.504 . . . . 0.0 110.707 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.67 -49.88 66.97 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.256 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD22 HG22 ' A' ' 40' ' ' VAL . 10.8 mp -62.52 -35.06 78.2 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 121.288 -0.165 . . . . 0.0 111.204 178.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -59.77 -48.93 79.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.954 0.407 . . . . 0.0 110.597 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -71.17 -14.43 62.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.521 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.571 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 72.0 mtm -106.49 -47.5 3.76 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.07 -13.18 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.32 23.16 13.66 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.881 0.372 . . . . 0.0 110.646 -172.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -116.0 145.03 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.661 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -84.69 143.19 29.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.672 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.78 HG22 HD22 ' A' ' 32' ' ' LEU . 45.8 t -68.1 100.37 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.859 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.96 -59.96 2.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.202 0.525 . . . . 0.0 109.596 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -154.15 102.69 2.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.284 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -143.8 93.4 2.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 41.7 tt0 -75.26 -64.0 0.64 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.417 -172.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 38.9 Cg_exo -27.67 -104.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 124.963 3.775 . . . . 0.0 115.699 -167.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.467 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 51.3 p 43.6 37.01 1.34 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.114 0.566 . . . . 0.0 112.318 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -84.63 -55.08 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' CB ' ' HE1' ' B' ' 413' ' ' HIS . . . -125.44 -9.99 6.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.234 -1.348 . . . . 0.0 108.812 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -71.93 119.03 15.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.908 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.8 m -153.3 156.2 37.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.879 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -124.03 162.96 22.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.721 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' NH1' ' HB3' ' B' ' 434' ' ' ARG . 33.7 mtm180 -104.62 144.49 31.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.202 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 55.6 tptt -106.28 128.83 54.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.939 0.399 . . . . 0.0 111.108 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -88.26 115.92 26.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.829 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.534 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.8 m -126.85 146.2 33.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.29 114.45 44.59 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.335 0.588 . . . . 0.0 110.035 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.0 mp -102.76 100.77 10.81 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.551 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 62.99 16.91 9.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.834 173.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.28 -30.78 2.5 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 119.62 -1.276 . . . . 0.0 114.136 174.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.85 129.07 43.2 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.813 0.807 . . . . 0.0 110.424 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -79.66 109.53 14.14 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -106.45 142.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.518 -171.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -113.58 123.71 50.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.293 0.568 . . . . 0.0 111.108 -179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -108.57 121.21 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.575 0.702 . . . . 0.0 110.009 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.687 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 46.4 t0 -95.66 110.75 22.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.472 -175.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.432 HD13 ' HB ' ' A' ' 17' ' ' VAL . 27.7 mm -110.21 142.74 21.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 -172.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.0 mt -131.16 117.73 19.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.491 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.467 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 38.4 t0 -91.3 91.33 8.13 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 171.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.2 p -88.18 144.4 26.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.814 -169.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -69.4 130.62 43.05 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.999 171.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -140.24 97.64 0.22 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.587 ' HG ' ' N ' ' A' ' 73' ' ' GLU . 2.4 pt? -142.14 -58.26 0.46 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.768 0.318 . . . . 0.0 110.83 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.587 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 9.5 tp10 176.08 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.895 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.11 -72.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.743 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.431 ' HB3' HD12 ' A' ' 78' ' ' ILE . 95.6 m-85 -80.26 53.42 1.77 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.668 -173.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -18.96 65.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.399 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.712 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -71.58 -10.33 59.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.479 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 50.6 mt -101.11 -34.37 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.835 0.35 . . . . 0.0 110.07 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 51.4 ttp180 -86.89 -65.39 1.02 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 4.2 m-20 -74.54 -46.67 37.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 -171.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.712 HD22 ' HA ' ' A' ' 77' ' ' ALA . 91.0 m-20 -70.01 -15.96 63.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.884 -174.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 15.2 m-85 -93.32 -9.61 38.28 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 176.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 5.1 m-30 -63.14 -22.93 67.19 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.533 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -58.91 -54.62 45.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.8 0.333 . . . . 0.0 111.793 -174.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 2.3 m -91.37 37.97 0.96 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.923 0.392 . . . . 0.0 111.936 -169.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -126.37 122.09 4.29 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.53 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.567 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 32.7 mm-40 -65.22 -74.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.976 0.417 . . . . 0.0 110.757 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.14 155.87 18.6 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.634 -173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 18' ' ' ILE . 92.6 m-85 -130.03 135.85 48.73 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.969 0.414 . . . . 0.0 111.092 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.2 mt -106.99 112.89 26.06 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.929 175.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 HD12 HG22 ' A' ' 125' ' ' VAL . 48.9 mt -89.47 106.42 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.595 HG22 ' HB ' ' A' ' 126' ' ' VAL . 44.7 t -110.54 117.3 54.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -173.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -138.33 172.9 12.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.34 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -121.22 146.52 46.72 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.46 5.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -174.209 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.885 HG23 HD22 ' A' ' 132' ' ' LEU . 6.3 p -89.49 -17.64 28.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.484 0.659 . . . . 0.0 109.742 172.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HB2' ' OG ' ' A' ' 100' ' ' SER . 45.0 mt-10 -110.32 106.7 16.17 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.059 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -73.88 -23.9 59.65 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -65.66 -48.27 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.839 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 13.4 p -70.58 -24.33 62.75 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.433 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -63.51 -48.84 75.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.228 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.9 m -65.4 -32.36 73.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.327 0.584 . . . . 0.0 110.633 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.29 62.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.56 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 54.6 p -58.3 -39.43 79.31 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.882 0.372 . . . . 0.0 111.048 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.79 81.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.544 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.71 -46.72 77.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.807 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.01 -44.38 91.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.228 0.537 . . . . 0.0 110.033 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 112' ' ' LEU . 61.8 ttt180 -55.91 -51.25 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.702 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 37.7 mt-10 -69.26 -32.2 71.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.837 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -57.52 -41.76 81.47 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.219 0.533 . . . . 0.0 110.076 174.192 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.1 mt -68.91 -41.35 81.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.78 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.8 mm? -61.96 -33.08 73.64 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 55.5 mtp180 -70.27 -21.97 62.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.482 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.6 m -110.21 -17.07 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.445 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.525 ' HD2' ' OE1' ' A' ' 118' ' ' GLU . 15.5 mtmt -136.42 118.33 15.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.725 178.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.26 -31.43 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.04 4.82 49.07 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.525 ' OE1' ' HD2' ' A' ' 115' ' ' LYS . 11.1 pt-20 -86.73 -169.36 2.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.568 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.18 -82.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 123.078 0.236 . . . . 0.0 111.407 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.824 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 12.4 mmmm -149.51 142.91 25.27 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.354 -175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.1 mt -102.47 104.19 36.37 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.779 -177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_exo -72.94 120.64 6.75 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.17 2.58 . . . . 0.0 111.918 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 89' ' ' PHE . 77.7 mt -119.61 129.27 54.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.8 tp -130.91 119.75 22.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.015 0.435 . . . . 0.0 109.866 175.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.492 HG22 HD12 ' A' ' 91' ' ' LEU . 12.6 t -90.3 121.5 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.691 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.595 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -110.29 120.95 62.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.49 -175.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.46 115.96 5.26 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 56.4 t30 -101.42 155.6 17.96 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.71 ' HB3' HD23 ' A' ' 132' ' ' LEU . 25.3 mmmt 77.09 42.15 0.14 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.024 0.827 . . . . 0.0 112.302 176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -70.97 15.08 0.11 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.248 0.547 . . . . 0.0 110.868 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 129' ' ' LYS . 3.5 p-10 -103.62 -1.48 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.453 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 96' ' ' THR . 2.7 pp -83.88 -45.65 13.0 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.318 176.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.491 ' N ' HD12 ' A' ' 132' ' ' LEU . 41.5 tt0 62.2 -77.66 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.806 0.843 . . . . 0.0 112.74 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -76.14 -16.43 59.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -171.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.82 7.16 15.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.925 0.393 . . . . 0.0 110.649 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -60.4 119.43 7.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.303 -176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -106.46 -16.82 14.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.3 p -128.93 121.38 20.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 24.3 Cg_exo -63.3 132.85 37.79 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.909 2.406 . . . . 0.0 112.281 -177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.608 HG12 ' HG3' ' A' ' 144' ' ' ARG . 18.2 t -63.4 -22.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.636 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.5 -47.32 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.029 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 15.7 pt-20 -81.52 -27.56 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.26 -42.98 96.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.104 0.478 . . . . 0.0 110.427 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.608 ' HG3' HG12 ' A' ' 140' ' ' VAL . 38.4 mtp180 -70.33 -32.76 70.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.029 176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.5 t -63.36 -35.48 80.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.433 174.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.3 mmtt -65.24 -36.87 85.47 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.877 175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.88 -45.58 89.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.925 0.393 . . . . 0.0 110.014 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.57 -37.58 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.523 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.56 -39.02 86.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.101 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.413 ' HB2' HG22 ' A' ' 152' ' ' VAL . 35.7 m0 -97.55 -5.75 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -176.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.53 30.39 60.24 Favored Glycine 0 C--O 1.228 -0.242 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.16 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 150' ' ' TRP . 29.5 m -120.28 -170.21 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 -177.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.764 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -114.82 150.67 35.13 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 120.21 -0.596 . . . . 0.0 111.29 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.527 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 85.6 t80 -121.15 124.15 44.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.507 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 21.2 t -122.67 134.21 66.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.146 -176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.19 130.29 34.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.033 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -137.62 173.44 11.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.123 0.487 . . . . 0.0 110.852 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.0 t -169.83 135.94 1.5 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.32 173.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.03 -6.99 58.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.727 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.618 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 28.1 tptp -77.89 -51.72 9.99 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.511 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -89.94 -17.82 27.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.886 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 61.44 66.43 0.86 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.628 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -130.72 132.73 45.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.31 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 65.93 16.04 10.31 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.24 177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.529 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 90.7 t -71.15 -42.77 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.013 0.435 . . . . 0.0 110.057 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -52.65 -57.52 9.77 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.54 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.24 -33.84 52.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.529 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 51.2 m-85 -74.97 -51.2 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.9 m-85 -66.17 -43.85 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.195 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.64 -49.3 76.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.775 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 90' ' ' LEU . 45.5 tp -67.21 -39.42 86.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 16.2 ptp -67.1 -29.58 69.37 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.742 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 18.4 mmm180 -69.33 -39.16 78.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.284 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.58 -35.34 74.11 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.911 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.27 -32.93 36.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.916 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -65.56 -43.47 89.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.206 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.4 m -62.8 -37.74 87.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.824 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.3 mptt -68.48 -39.43 81.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.075 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HD2' ' HB3' ' A' ' 11' ' ' SER . 23.4 mmtm -74.14 -23.98 59.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.1 mtt -81.37 -21.52 39.0 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 48.7 m 64.79 173.91 0.2 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.52 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -107.73 -73.62 0.68 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.052 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 50.55 52.63 14.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.589 0.709 . . . . 0.0 110.212 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.514 -179.311 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 26.3 p -157.47 28.22 0.29 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -51.5 -59.84 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.557 -168.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 18.8 m -84.92 -33.06 22.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -64.51 -28.07 69.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.67 -54.51 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.087 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.61 -35.06 91.3 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.059 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.599 HD12 ' HB3' ' B' ' 442' ' ' LYS . 42.9 mm -65.13 -48.78 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.847 177.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.61 -42.45 92.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.102 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.732 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.606 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 7.4 tp10 -68.81 -42.08 77.79 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 176.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' B' ' 443' ' ' LEU . 96.3 mt -55.68 -49.54 73.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.046 175.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.09 -37.78 75.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.606 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 37.4 ttm180 -63.96 -42.92 97.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.528 177.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 75.0 mm-40 -71.12 -38.44 72.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.133 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.04 -41.14 96.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.078 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -61.29 -48.38 81.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.512 ' HB2' HG21 ' B' ' 432' ' ' VAL . 62.8 mt -56.8 -46.9 81.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.533 178.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.482 HD11 ' OH ' ' A' ' 82' ' ' TYR . 12.9 tp -67.96 -46.56 71.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.3 -178.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -58.38 -48.79 79.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.435 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -59.91 -52.98 63.08 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.57 ' HB3' HD21 ' B' ' 429' ' ' LEU . 31.2 mt -56.15 -31.2 63.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.023 0.439 . . . . 0.0 111.064 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.453 ' HE1' ' CB ' ' A' ' 48' ' ' ALA . 28.6 m170 -72.52 -48.77 37.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.213 -0.305 . . . . 0.0 111.222 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -68.81 -43.12 76.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.679 0.276 . . . . 0.0 111.032 -176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.3 -44.76 96.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.469 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.69 HD22 HD11 ' B' ' 429' ' ' LEU . 10.2 mp -75.65 -27.57 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -63.98 -22.01 66.74 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.482 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.61 -2.33 74.97 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.549 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.33 -7.21 51.02 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.575 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.8 mt -93.62 115.18 31.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.665 ' HA ' ' HD2' ' B' ' 425' ' ' LYS . 0.0 OUTLIER -146.47 154.4 41.54 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.136 0.493 . . . . 0.0 109.773 176.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 18.7 t70 -147.62 158.57 44.06 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.431 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 8.5 mp -64.02 -26.82 68.74 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.364 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.9 m -65.48 -36.18 83.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.494 0.664 . . . . 0.0 109.393 175.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 22.4 mttm -73.91 -45.4 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.54 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 36.9 mt-10 -60.38 -45.49 93.34 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.018 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -68.15 -41.81 81.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 0.0 110.473 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.56 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.6 tpt180 -66.57 -32.9 74.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.179 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.69 HD11 HD22 ' B' ' 416' ' ' LEU . 12.4 mt -56.17 -53.05 61.79 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.925 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.595 ' HB3' ' CZ ' ' B' ' 434' ' ' ARG . 25.2 m95 -63.12 -45.53 91.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.622 176.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.446 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 39.9 tt0 -57.83 -54.77 43.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.76 -175.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.69 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.3 p -64.58 -34.25 68.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.919 0.39 . . . . 0.0 110.796 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.428 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 33.2 tp60 -55.97 -47.79 77.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.711 174.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.595 ' CZ ' ' HB3' ' B' ' 430' ' ' TRP . 27.2 mtt180 -65.66 -28.46 69.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.491 . . . . 0.0 110.545 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' B' ' 432' ' ' VAL . 44.7 mt -75.76 -39.26 38.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.064 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.435 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -58.38 -45.94 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.343 175.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.4 t -70.56 -32.57 70.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.103 0.477 . . . . 0.0 110.271 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.71 -36.75 76.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.208 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.608 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.3 mm? -63.86 -35.93 82.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.017 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -57.49 -42.93 83.67 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.437 0.636 . . . . 0.0 109.746 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.75 -44.54 89.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.21 -0.904 . . . . 0.0 109.466 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.599 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.5 mmmt -58.7 -35.75 73.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.489 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.631 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -64.01 -47.51 79.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.035 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 444' ' ' ARG . 36.4 mtm180 -82.23 -1.97 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.07 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -81.8 -42.09 20.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.012 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.396 -0.812 . . . . 0.0 111.233 -176.186 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.641 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -161.77 -69.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.37 . . . . 0.0 110.285 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.498 ' HB2' ' HD2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER -154.74 15.1 0.43 Allowed 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.915 -178.041 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m 67.07 92.62 0.08 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.672 0.748 . . . . 0.0 111.544 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 177' ' ' ARG . 97.3 mt -96.51 -10.31 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.413 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.93 7.52 44.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.5 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 13' ' ' ALA . 3.5 mm? -126.33 125.42 42.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.553 177.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -135.5 125.31 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.723 0.297 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HG2' ' CZ3' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -112.32 114.82 27.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.162 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 96.0 t -115.44 129.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 110.922 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -111.65 125.48 68.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.349 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 34.1 mtt -97.85 117.27 31.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.844 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.1 m -95.49 176.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.266 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.9 -161.83 30.52 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.875 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 p -84.7 -9.59 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.386 0.612 . . . . 0.0 110.437 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.53 -49.32 0.9 Allowed Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.262 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 27' ' ' LYS . . . -89.32 -102.78 1.06 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.855 175.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t 70.16 -51.95 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.481 0.712 . . . . 0.0 112.033 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.514 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . 135.08 17.48 0.89 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.695 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -60.36 -47.09 87.54 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.665 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.2 m -68.32 -25.15 64.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.0 111.13 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.8 -49.85 35.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.535 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.614 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.459 HG22 HG21 ' A' ' 66' ' ' ILE . 19.0 p -66.37 -35.97 81.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.685 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD23 ' HB ' ' A' ' 40' ' ' VAL . 23.0 tp -76.03 -31.52 58.92 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.712 HE22 ' HA ' ' A' ' 39' ' ' PHE . 84.4 mm-40 -69.15 -36.79 77.8 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.066 0.46 . . . . 0.0 110.287 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -73.24 -2.25 21.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.297 175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 39.7 tpp -106.11 -57.71 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.763 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -96.31 -105.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.483 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 177.79 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.028 -174.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -97.13 165.53 12.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.972 0.415 . . . . 0.0 111.073 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.712 ' HA ' HE22 ' A' ' 33' ' ' GLN . 60.3 t80 -76.52 142.3 40.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.898 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 ' HB ' HD23 ' A' ' 32' ' ' LEU . 6.2 p -75.43 133.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.529 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -126.35 -32.91 2.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.207 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -144.97 109.4 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.769 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -166.95 100.73 0.54 Allowed 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.602 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 31.4 mt-10 -91.18 -59.99 0.22 Allowed Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -172.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -74.93 110.3 3.09 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.488 2.125 . . . . 0.0 114.544 -166.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.705 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 42.3 p -145.82 7.13 1.07 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.576 170.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -64.57 -56.51 13.51 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.144 -175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.92 26.92 6.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 175.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -135.73 101.03 4.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.689 -174.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.5 p -108.81 167.98 9.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.856 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.457 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 55.5 t80 -131.9 104.61 6.96 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.001 0.429 . . . . 0.0 110.199 176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -84.56 133.63 34.43 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.314 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' NZ ' ' HA ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -137.04 177.3 7.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -178.009 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 39.7 ttmt -106.53 127.84 53.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.707 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -136.86 146.72 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.286 175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.66 103.76 15.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.783 0.802 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -84.99 97.72 9.98 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.0 t70 36.82 81.27 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 O-C-N 124.789 1.305 . . . . 0.0 112.648 178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.41 -99.66 0.2 Allowed Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 119.744 -1.217 . . . . 0.0 113.908 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.6 pt-20 -123.45 163.92 19.92 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.667 0.27 . . . . 0.0 111.079 -172.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.619 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 36.1 mt-10 -65.11 111.1 2.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.704 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.494 HG13 ' HA ' ' A' ' 13' ' ' ALA . 62.0 t -109.09 145.35 15.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.82 -177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -114.84 134.9 54.76 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.241 0.543 . . . . 0.0 110.861 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.497 HD12 ' SD ' ' A' ' 173' ' ' MET . 17.6 tt -129.7 142.02 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.082 -173.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -129.53 138.41 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.715 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 31' ' ' THR . 15.2 mm -127.45 127.19 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.415 0.15 . . . . 0.0 111.068 -173.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.9 mt -93.88 115.28 27.65 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.797 0.332 . . . . 0.0 110.929 173.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.705 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 26.2 t70 -92.82 83.69 4.84 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.2 p -80.02 157.05 26.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.711 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 151.33 22.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.015 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.8 62.03 0.81 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.078 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -149.12 151.5 34.5 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 122.193 0.197 . . . . 0.0 110.581 -178.212 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -77.35 -16.33 58.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -49.39 -63.09 1.21 Allowed 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.301 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.476 ' H ' HD13 ' A' ' 72' ' ' LEU . 78.6 m-85 -94.3 74.81 3.94 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.122 -176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.01 -21.49 66.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.359 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.786 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.56 -6.66 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.574 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.502 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.3 mt -106.36 -37.82 4.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.092 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 1.8 mtm180 -92.34 -65.43 1.0 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.547 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.37 -46.16 56.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.194 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.786 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.1 m-20 -77.22 -16.15 59.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.842 -175.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -93.86 6.35 48.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 176.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' A' ' 114' ' ' VAL . 6.5 m-85 -79.88 -159.49 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.818 -0.173 . . . . 0.0 110.634 177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' H ' ' HB3' ' A' ' 83' ' ' PHE . 31.0 mmm180 69.38 -69.45 0.16 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.058 0.543 . . . . 0.0 111.8 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 -14.48 61.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.7 146.74 37.47 Favored Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.927 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -105.27 -71.83 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.954 0.407 . . . . 0.0 110.292 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.68 145.67 17.81 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.712 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -126.2 128.69 47.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 111.071 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 124' ' ' LEU . 80.7 mt -104.96 113.28 26.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.482 178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.3 106.31 17.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.897 HG12 ' HB ' ' A' ' 126' ' ' VAL . 26.8 m -116.25 134.18 60.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 120.985 0.421 . . . . 0.0 111.106 -176.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -147.84 154.18 40.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.561 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 99.3 p -93.11 152.0 19.52 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.851 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -68.94 -4.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.915 0.388 . . . . 0.0 111.086 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.637 HG23 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -91.6 4.15 53.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.805 174.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -120.53 93.16 3.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.942 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -71.78 -29.3 64.32 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.23 -53.89 31.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 m -60.73 -27.33 67.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.827 0.346 . . . . 0.0 111.424 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.16 -49.88 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.494 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.6 m -68.13 -28.3 67.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.286 0.565 . . . . 0.0 110.431 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.95 63.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.124 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 39.8 p -56.11 -37.06 68.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.252 0.549 . . . . 0.0 111.033 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.22 -35.78 74.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.388 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.61 -39.56 80.8 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.41 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.511 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.92 -50.26 73.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 111' ' ' ILE . 14.0 ptm180 -63.83 -38.45 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.099 -177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -67.24 -37.28 83.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.932 0.396 . . . . 0.0 110.651 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.87 -35.58 81.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 109.739 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 86.0 mt -66.42 -51.2 60.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.558 176.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' HA ' ' H ' ' A' ' 116' ' ' ALA . 8.6 mp -69.75 -20.95 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 113' ' ' ARG . 26.0 ttp85 -61.55 -34.98 76.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG21 ' CB ' ' A' ' 83' ' ' PHE . 19.9 m -104.24 -10.04 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.98 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.697 ' HB3' ' HG3' ' A' ' 118' ' ' GLU . 42.4 mttm -121.55 -87.73 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.027 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.496 ' H ' ' HA ' ' A' ' 112' ' ' LEU . . . 66.15 -74.47 0.06 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.485 0.714 . . . . 0.0 112.091 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -85.35 42.31 0.94 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.703 0.287 . . . . 0.0 111.423 -173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.697 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 5.2 mm-40 -102.2 -33.1 9.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' HB3' ' HD2' ' A' ' 120' ' ' LYS . 31.8 t70 75.23 -48.51 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.37 0.668 . . . . 0.0 111.762 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.747 ' HG3' ' HB3' ' A' ' 179' ' ' LYS . 2.5 mptp? -84.1 50.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.678 -173.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 115' ' ' LYS . 52.4 mt -114.92 90.15 21.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 2.6 Cg_endo -87.25 131.79 3.08 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.173 2.582 . . . . 0.0 111.72 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -117.62 122.87 44.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.81 0.338 . . . . 0.0 110.649 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 11.2 tp -119.09 122.75 42.79 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.421 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.6 t -88.57 126.86 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.511 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.897 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -127.44 129.78 70.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.157 -174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -101.07 138.6 13.95 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -136.13 179.54 6.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.335 0.567 . . . . 0.0 110.704 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.571 ' HE2' ' C4 ' ' A' ' 500' ' ' GNP . 35.0 mmtp 62.98 63.83 0.91 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.423 0.689 . . . . 0.0 111.164 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 m -82.62 5.32 21.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.6 -30.22 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.448 . . . . 0.0 112.045 -174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.646 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -83.37 -58.38 2.86 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.57 -176.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.578 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 40.3 tt0 67.55 -67.48 0.18 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.679 0.791 . . . . 0.0 111.683 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.77 -34.23 77.86 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -86.27 26.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.648 0.737 . . . . 0.0 110.794 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.851 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.4 ttm180 -66.0 113.68 4.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.099 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -78.15 -40.93 36.47 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.25 0.548 . . . . 0.0 110.854 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -108.75 124.73 33.47 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.962 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.437 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.3 Cg_exo -56.42 114.42 1.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.34 2.027 . . . . 0.0 110.762 175.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -69.79 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 110.235 -174.354 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -60.11 -48.05 83.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.686 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.0 pt-20 -77.56 -19.55 55.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.514 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.41 -41.95 79.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.5 mtp180 -65.4 -35.0 79.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.825 173.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.3 t -63.2 -33.59 75.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.975 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 59.2 mmtt -66.09 -35.71 81.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.692 0.282 . . . . 0.0 111.232 176.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.41 98.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.071 0.463 . . . . 0.0 109.78 174.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -62.98 -44.79 95.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.955 176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -58.54 -41.39 85.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.397 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -91.4 -13.83 31.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.597 -174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.78 34.43 18.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.296 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 15.0 m -126.08 -168.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.592 0.234 . . . . 0.0 110.979 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 3.2 pm0 -112.53 157.27 21.34 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.53 179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -124.25 125.55 44.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -125.57 128.58 72.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 -176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -86.08 134.77 33.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.561 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.0 p -126.37 134.92 50.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.262 0.553 . . . . 0.0 111.455 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.4 m -113.14 97.66 6.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.332 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.51 -28.4 61.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -66.68 -45.35 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.936 0.398 . . . . 0.0 110.419 -179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 26.2 p -88.2 -3.59 58.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.488 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 61.47 49.04 5.44 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.224 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -117.24 139.25 51.03 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.573 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 70.18 10.22 7.27 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.847 0.717 . . . . 0.0 111.922 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 33' ' ' GLN . 60.2 t -67.4 -47.59 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.223 -175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -68.42 -28.63 67.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.844 -175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -60.25 -52.55 64.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.896 -172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.6 m -59.63 -28.34 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.965 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.02 -56.59 4.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.409 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 22.3 m-85 -62.52 -41.12 98.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.509 -174.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.03 -41.7 97.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.489 0.185 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.427 HD22 ' HG ' ' A' ' 90' ' ' LEU . 34.5 tp -65.83 -38.94 90.26 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.497 ' SD ' HD12 ' A' ' 64' ' ' ILE . 54.3 mtp -61.09 -31.24 70.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.707 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 1.5 mmt85 -68.82 -45.2 71.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.629 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 122' ' ' PRO . 13.6 mt-10 -58.14 -39.81 79.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.325 177.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.632 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 72.6 mt -56.38 -41.1 70.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.543 ' HG2' HD22 ' A' ' 12' ' ' LEU . 40.3 mtt180 -61.59 -45.03 95.86 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.627 178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.8 m -62.23 -39.47 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.509 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.747 ' HB3' ' HG3' ' A' ' 120' ' ' LYS . 14.5 mptt -69.88 -31.87 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.8 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 70.3 mmtt -66.36 -51.73 54.17 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.881 0.372 . . . . 0.0 110.309 177.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.7 mtt -70.75 -37.49 73.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.321 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 t 70.44 167.07 0.3 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.079 -174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -78.03 96.74 5.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.433 0.635 . . . . 0.0 109.852 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -109.63 10.47 24.95 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.041 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.226 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.822 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 63.8 m -156.24 92.85 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.726 0.298 . . . . 0.0 110.321 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -74.29 -71.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.303 0.573 . . . . 0.0 110.808 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.5 m -74.68 -34.46 62.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.16 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.822 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 41.8 mt-30 -57.58 -35.78 70.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.749 179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.71 -47.7 84.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.71 -43.98 98.18 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.708 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.558 ' O ' HG13 ' B' ' 402' ' ' ILE . 23.9 mm -56.36 -51.93 58.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.982 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.447 ' HA ' HD12 ' B' ' 402' ' ' ILE . 8.7 mtpm? -62.1 -40.3 95.39 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.259 -176.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -65.01 -42.22 94.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.846 0.355 . . . . 0.0 110.694 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 1.4 mm-40 -65.28 -30.58 71.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.558 HG13 ' O ' ' B' ' 398' ' ' ILE . 83.2 mt -58.31 -50.35 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.573 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 25.0 mmt180 -63.03 -33.06 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.523 177.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 72.0 ttt180 -60.61 -50.84 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.54 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.432 ' HB2' HD13 ' B' ' 436' ' ' LEU . 72.7 mm-40 -69.46 -36.27 76.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.573 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 47.7 mt-10 -59.69 -44.57 93.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.07 175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.6 -45.59 92.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.172 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.5 mt -58.31 -51.42 69.86 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-O 121.184 0.516 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' B' ' 413' ' ' HIS . 23.7 tp -58.97 -48.58 81.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.774 177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -55.77 -39.57 71.42 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.722 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -58.79 -53.48 57.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.414 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 5.7 mp -73.06 -30.93 64.07 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.927 -0.709 . . . . 0.0 110.519 177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' B' ' 409' ' ' LEU . 0.3 OUTLIER -57.79 -43.85 85.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.913 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -76.63 -39.95 50.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.631 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.03 -49.96 63.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.041 0.448 . . . . 0.0 111.401 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 64.2 mt -62.84 -24.55 67.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.538 -177.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -61.73 -17.16 54.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 111.386 177.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.13 -2.94 84.39 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.655 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.77 -18.78 34.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.141 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.6 mt -75.17 126.32 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -153.95 154.08 33.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.457 0.646 . . . . 0.0 110.336 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.691 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 20.8 t70 -148.01 162.91 38.4 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.96 0.409 . . . . 0.0 110.656 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.7 m -66.44 -32.15 73.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.31 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 43.1 mmtt -73.87 -49.42 25.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.229 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.98 -43.12 91.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.307 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -64.75 -34.88 79.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.689 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.9 tpt180 -65.51 -47.35 76.26 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.653 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 8.5 mp -56.4 -49.66 73.86 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.483 ' CZ3' ' HG2' ' A' ' 16' ' ' LYS . 65.5 m95 -57.39 -32.08 66.45 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.066 -0.253 . . . . 0.0 110.875 175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 434' ' ' ARG . 9.3 tp10 -68.97 -54.25 16.32 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.213 0.32 . . . . 0.0 110.898 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.689 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.6 t -65.8 -38.52 82.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.394 0.616 . . . . 0.0 110.584 -178.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -56.52 -49.61 74.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 122.393 1.092 . . . . 0.0 109.514 175.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 431' ' ' GLU . 6.1 ttt180 -56.65 -45.78 81.41 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 113.063 -1.88 . . . . 0.0 111.671 177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' B' ' 432' ' ' VAL . 26.8 mt -65.18 -49.41 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' B' ' 405' ' ' GLN . 38.7 tp -58.43 -42.42 87.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.457 ' HG1' ' HA ' ' A' ' 51' ' ' TYR . 12.7 t -70.34 -42.36 71.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.8 0.333 . . . . 0.0 111.012 -175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.94 -35.37 80.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.388 0.614 . . . . 0.0 109.89 176.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.25 -32.8 74.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.069 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.99 -36.65 85.09 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.971 0.415 . . . . 0.0 110.276 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 0.6 OUTLIER -66.86 -40.04 87.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -57.37 -35.41 69.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.164 176.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.52 ' HA ' HG21 ' B' ' 398' ' ' ILE . 2.6 tm? -63.26 -50.39 70.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.328 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -74.54 -12.38 60.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.734 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -79.8 -16.71 54.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.354 0.597 . . . . 0.0 109.677 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.444 179.067 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.571 ' C4 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . 0.631 ' O ' ' OD2' ' A' ' 68' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -141.88 -153.1 0.44 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.2 m -60.0 171.2 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.423 0.289 . . . . 0.0 111.202 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HB3' ' OE1' ' A' ' 60' ' ' GLU . 54.2 m -54.46 128.79 33.42 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.045 0.45 . . . . 0.0 110.571 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER -85.24 43.63 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.729 -172.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -93.96 14.08 20.78 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 33.0 tp -119.61 115.33 23.75 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -125.8 142.93 51.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.775 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.606 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 31.3 mmtp -119.23 116.6 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.12 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.488 ' HB ' HD13 ' A' ' 66' ' ' ILE . 57.3 t -123.49 113.02 35.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.169 0.509 . . . . 0.0 110.426 178.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.684 HG12 HD12 ' A' ' 67' ' ' LEU . 56.5 mt -101.65 127.31 55.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.789 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.499 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 38.5 mtt -95.9 110.07 22.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.422 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -95.3 145.97 7.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 163.7 -170.67 39.12 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.549 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 4.1 p -84.6 -24.31 29.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.555 0.693 . . . . 0.0 110.172 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.46 -41.64 1.34 Allowed Glycine 0 N--CA 1.443 -0.868 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.925 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.88 -122.67 4.88 Favored Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 93' ' ' PHE . 60.9 t 68.31 -52.13 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 123.839 0.856 . . . . 0.0 111.544 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.529 ' HA2' " O3'" ' A' ' 500' ' ' GNP . . . 158.65 32.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 20.4 ttpp -86.72 -63.87 1.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.658 -0.271 . . . . 0.0 111.221 -172.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -64.75 -16.6 63.2 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' HB2' " H4'" ' A' ' 500' ' ' GNP . . . -70.58 -39.14 74.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.81 -37.32 76.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.367 0.603 . . . . 0.0 110.052 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.57 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -61.62 -53.99 48.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.509 -176.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 tp -62.06 -31.37 71.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.525 0.202 . . . . 0.0 111.199 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 63.3 mm-40 -65.17 -39.17 92.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.576 176.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 67.8 t80 -73.66 -33.18 64.36 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.247 0.546 . . . . 0.0 110.374 177.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.4 mtp -75.92 -62.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.001 -175.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -119.42 -2.65 10.54 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 37.2 t70 69.78 16.69 7.81 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.43 145.74 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.733 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -78.1 148.57 34.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.7 t -76.46 105.74 5.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.98 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -96.5 -40.49 9.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -160.47 101.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.264 177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -155.75 114.69 3.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.736 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 31.4 tt0 -96.5 -59.62 0.17 Allowed Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 11.6 Cg_endo -52.45 96.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 123.158 2.572 . . . . 0.0 114.819 -166.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 p -153.96 65.14 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.368 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -86.33 -59.72 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.543 0.687 . . . . 0.0 109.722 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.13 7.01 6.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.877 170.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.15 112.74 1.82 Allowed 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.447 -1.251 . . . . 0.0 111.974 -171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 1.3 m -104.37 149.07 25.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.863 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -135.76 112.05 9.8 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.319 0.581 . . . . 0.0 111.071 -176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -75.53 107.09 7.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.772 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -100.92 130.03 46.86 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.034 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -86.9 112.54 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 175.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 53' ' ' LYS . 18.6 m -134.56 153.97 36.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -151.78 136.74 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.726 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.62 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -120.25 96.76 5.28 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 46.58 75.5 0.12 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.21 -132.13 2.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.497 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 pt-20 -95.63 157.53 15.86 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 122.262 0.225 . . . . 0.0 110.641 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.47 111.37 3.54 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 60' ' ' GLU . 92.1 t -106.41 141.36 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 -172.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -113.47 117.88 32.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.858 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.5 tt -109.74 125.1 66.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.941 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -107.46 135.48 48.87 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.57 HG21 HG23 ' A' ' 31' ' ' THR . 42.5 mm -118.32 126.24 74.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.471 -172.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD12 HG12 ' A' ' 18' ' ' ILE . 33.7 mt -98.55 103.97 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -93.53 80.22 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.9 p -76.52 159.95 29.91 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.424 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.31 125.0 35.93 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.546 176.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -86.05 66.52 3.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.181 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -132.74 -178.31 4.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.596 0.236 . . . . 0.0 110.736 -179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -103.06 0.32 31.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.018 0.437 . . . . 0.0 110.931 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.429 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.7 m-20 -74.6 -73.97 0.22 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.384 0.612 . . . . 0.0 111.306 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.44 ' CB ' HD12 ' A' ' 78' ' ' ILE . 76.6 m-85 -79.82 71.19 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.022 -175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.28 -25.56 67.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.41 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.69 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -65.0 -23.1 67.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.186 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 75' ' ' TYR . 63.0 mt -95.06 -15.85 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.416 0.627 . . . . 0.0 110.181 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -91.61 -63.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.989 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.66 -57.25 4.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.27 -176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.732 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 37.8 m-20 -71.03 -36.09 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.12 -169.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -31.64 70.29 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.509 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 9.1 m-30 -65.63 -27.26 68.26 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.523 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 2.1 tmm_? -60.61 -30.27 69.73 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -169.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.654 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 41.9 m -104.12 19.27 20.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.197 0.522 . . . . 0.0 111.175 179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -98.24 -164.99 31.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.832 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.52 ' OE2' HG23 ' A' ' 176' ' ' ILE . 79.1 tt0 -155.96 -75.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.055 0.427 . . . . 0.0 110.899 -178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.609 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -89.81 151.16 21.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.523 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' HG ' ' A' ' 123' ' ' LEU . 88.5 m-85 -134.76 134.46 40.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.0 0.429 . . . . 0.0 111.484 -178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 63.3 mt -103.78 125.1 50.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.538 176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' HB2' ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -97.21 107.64 20.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.175 179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.02 132.78 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.977 0.418 . . . . 0.0 110.849 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.628 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.1 p90 -153.51 165.19 36.64 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.917 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.9 t -116.39 138.81 51.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.09 3.62 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.86 0.362 . . . . 0.0 111.682 -176.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.527 HG23 HD13 ' A' ' 132' ' ' LEU . 2.2 p -94.56 -10.6 31.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.113 0.482 . . . . 0.0 109.73 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.91 108.91 14.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.859 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -68.16 -24.16 64.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -60.88 -57.64 11.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.993 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.4 p -70.27 -24.16 63.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.64 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -64.32 -48.06 77.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.461 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.8 m -65.76 -31.02 71.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.159 0.504 . . . . 0.0 110.773 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.31 -26.18 68.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.12 -177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.465 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 68.3 p -55.8 -39.48 71.36 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.792 0.33 . . . . 0.0 111.177 -179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.03 -47.17 85.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.323 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.51 -43.16 99.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.233 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.559 ' O ' HG13 ' A' ' 111' ' ' ILE . 24.2 m-85 -57.44 -51.41 69.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.551 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.647 ' HA ' HD12 ' A' ' 111' ' ' ILE . 0.0 OUTLIER -74.16 -33.73 63.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.72 -174.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -70.15 -37.53 75.27 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.941 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.0 -30.66 71.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.186 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 108' ' ' ARG . 85.3 mt -63.11 -50.71 78.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.126 178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.44 -22.14 60.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.471 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -68.08 -46.21 71.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.964 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.702 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -87.44 -20.9 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.702 ' HG3' HG23 ' A' ' 114' ' ' VAL . 44.1 mtmt -127.82 -102.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -175.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.24 -42.77 0.47 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.775 0.83 . . . . 0.0 112.761 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.21 34.6 0.25 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -174.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.41 ' CD ' ' HD2' ' A' ' 115' ' ' LYS . 55.0 mt-10 -97.98 -96.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.704 0.288 . . . . 0.0 110.816 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -143.74 -72.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 72.9 mmtt -152.42 113.65 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.435 HG21 HG21 ' A' ' 111' ' ' ILE . 70.5 mt -89.91 108.0 22.91 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-O 120.9 0.381 . . . . 0.0 110.378 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.491 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 57.4 Cg_endo -91.13 129.49 1.31 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.335 2.69 . . . . 0.0 112.474 -178.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 89' ' ' PHE . 5.7 mp -124.99 164.86 19.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.756 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -150.16 120.28 7.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.237 175.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 6.9 t -88.6 124.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.228 0.537 . . . . 0.0 109.57 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.1 t -113.95 111.99 38.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.508 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.76 112.38 3.7 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.08 163.64 12.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.099 0.449 . . . . 0.0 109.837 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.672 ' HE2' ' N3 ' ' A' ' 500' ' ' GNP . 1.2 mptm? 64.17 75.11 0.39 Allowed 'General case' 0 C--O 1.224 -0.26 0 O-C-N 123.698 0.624 . . . . 0.0 112.053 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 17.4 m -96.03 -2.52 46.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.372 0.606 . . . . 0.0 109.389 173.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -78.94 -3.31 44.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.846 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.594 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.07 -45.11 9.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 174.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 58.52 -78.97 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.136 0.974 . . . . 0.0 112.96 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -67.35 -14.22 62.72 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.657 0.383 . . . . 0.0 111.941 -174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 92.4 mtt180 -93.72 11.82 27.77 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.122 -177.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.685 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 48.7 ttp180 -65.91 113.43 4.38 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -94.19 -33.19 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.278 -177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 3.4 p -101.93 125.81 35.72 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.226 178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 50.5 Cg_exo -56.69 110.54 0.6 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.734 2.289 . . . . 0.0 111.946 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -67.98 -16.61 21.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.243 0.544 . . . . 0.0 109.667 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -56.72 -52.75 63.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.491 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 7.7 pt-20 -74.85 -23.34 58.41 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.089 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 146' ' ' LYS . . . -65.1 -33.51 76.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.071 0.462 . . . . 0.0 110.266 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.2 mtp180 -70.46 -39.29 74.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.685 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 m -60.74 -31.17 70.5 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.641 177.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 69.9 mmtt -60.07 -47.39 86.07 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.44 79.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.997 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -62.29 -48.01 81.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.436 177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -64.75 -42.24 95.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.63 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.3 m0 -76.66 -23.76 53.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.929 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.82 40.73 6.59 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.191 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 123' ' ' LEU . 14.1 m -134.79 -170.92 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.987 0.423 . . . . 0.0 110.932 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.756 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -111.19 158.73 18.59 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.554 176.477 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -126.03 120.18 29.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.6 t -118.82 127.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.745 0.307 . . . . 0.0 110.813 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.53 127.85 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 58.5 p -136.18 171.38 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.143 0.497 . . . . 0.0 111.195 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.9 m -153.31 106.31 2.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.597 172.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.42 -29.57 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.653 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.542 ' HB2' ' C2 ' ' A' ' 500' ' ' GNP . 23.4 tptm -62.11 -36.44 81.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.77 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.7 p -103.29 3.49 35.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 59.41 32.47 21.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.587 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.05 116.72 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.505 -175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.28 17.54 10.79 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.801 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.45 -38.15 80.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.234 0.54 . . . . 0.0 110.648 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -72.73 -28.22 62.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.559 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 63.8 tttm -60.64 -54.08 49.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.519 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.9 m -56.87 -32.82 40.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -170.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -70.58 -52.88 18.53 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.896 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -68.71 -31.72 71.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 3.0 t70 -62.41 -51.66 66.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.69 -177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 88' ' ' GLY . 7.3 tt -68.44 -34.63 76.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.305 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.633 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.9 mtm -63.28 -30.49 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.41 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 19.5 mmm180 -66.03 -44.35 84.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.83 -39.35 74.06 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.322 0.582 . . . . 0.0 111.164 173.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.6 mt -60.17 -26.18 35.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.696 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.406 ' HD2' ' NH1' ' A' ' 174' ' ' ARG . 77.4 mtt180 -71.16 -52.16 20.82 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.9 m -60.99 -38.72 86.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.382 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -54.74 -54.06 46.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.232 176.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -72.13 -28.61 63.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.948 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.8 mtt -62.69 -47.96 81.36 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 172.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.7 m 58.88 117.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 O-C-N 124.303 1.002 . . . . 0.0 111.937 -175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -78.79 122.59 26.23 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.584 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -117.52 7.15 12.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.801 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.5 pttm . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.533 -179.394 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.665 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 14.5 p -167.74 102.59 0.48 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.885 0.374 . . . . 0.0 110.775 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -61.92 1.65 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.101 0.477 . . . . 0.0 109.815 175.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.7 m -82.2 -34.34 28.99 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.958 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.665 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 95.7 mt-30 -62.01 -27.59 68.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 178.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -61.77 -50.88 70.58 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.475 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.62 -35.05 88.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.061 -0.59 . . . . 0.0 111.921 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.547 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -64.18 -52.44 56.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -60.41 -41.77 94.57 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.665 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.2 mt-10 -62.34 -41.4 98.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.042 0.448 . . . . 0.0 110.55 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.438 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 17.3 tp10 -70.51 -34.16 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.547 HG13 ' O ' ' B' ' 398' ' ' ILE . 91.5 mt -58.2 -49.4 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.5 -36.5 76.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.779 178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.1 ttm180 -65.77 -48.32 72.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.446 ' HB2' HD13 ' B' ' 436' ' ' LEU . 89.1 mm-40 -68.2 -34.86 77.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.562 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.78 -42.06 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.974 173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -67.37 -44.63 78.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.189 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.2 mt -57.48 -51.42 69.53 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.147 0.498 . . . . 0.0 110.274 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.45 ' N ' HG11 ' B' ' 432' ' ' VAL . 30.2 tp -65.54 -36.63 84.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.417 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -65.46 -39.81 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.194 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 33.8 t -59.78 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.87 -38.34 75.55 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.649 0.261 . . . . 0.0 110.918 175.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -58.03 -48.47 79.98 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.212 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -75.35 -44.44 45.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.051 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.97 -48.64 79.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.559 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.732 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.3 mp -74.55 -26.42 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.667 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -59.15 -23.6 62.33 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.778 0.323 . . . . 0.0 111.273 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.18 -3.17 81.2 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.865 -0.683 . . . . 0.0 113.112 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.35 22.54 14.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.274 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 65.0 mt -126.4 115.68 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.529 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 21.2 pttp -133.08 164.18 27.6 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.173 0.511 . . . . 0.0 110.475 175.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.676 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.4 t70 -147.25 164.0 34.58 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.57 -35.65 78.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.905 0.384 . . . . 0.0 110.651 -177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.6 m -63.92 -34.14 77.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.151 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.5 mmtt -70.63 -50.51 36.15 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.833 -174.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.54 -47.17 85.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.236 -176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 90.2 mt-10 -64.16 -48.04 77.51 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.626 179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.745 ' O ' HG23 ' B' ' 432' ' ' VAL . 17.9 mmt180 -61.94 -36.7 82.19 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.873 -0.149 . . . . 0.0 111.028 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 429' ' ' LEU . 7.5 mt -55.93 -46.28 78.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.606 0.241 . . . . 0.0 111.297 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.723 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 11.6 m95 -65.17 -43.46 91.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.587 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.775 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 5.0 mm-40 -57.17 -50.46 72.76 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.132 0.27 . . . . 0.0 111.269 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 428' ' ' ARG . 18.0 t -60.36 -43.44 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.671 0 CA-C-O 121.469 0.652 . . . . 0.0 110.1 -176.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.487 ' NE2' ' HB ' ' B' ' 437' ' ' THR . 36.0 tp60 -56.86 -48.22 78.61 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.67 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.775 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 43.0 mtp180 -55.77 -42.61 75.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.008 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.644 HD12 ' HA ' ' B' ' 432' ' ' VAL . 25.7 mt -65.43 -52.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.672 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' B' ' 405' ' ' GLN . 28.5 tp -57.34 -43.26 83.26 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.487 ' HB ' ' NE2' ' B' ' 433' ' ' GLN . 14.5 t -72.29 -39.6 68.19 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 122.036 -0.415 . . . . 0.0 111.348 -175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.74 -34.4 78.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.515 0.674 . . . . 0.0 109.378 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 402' ' ' ILE . 35.0 tp -67.96 -34.95 77.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.794 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -58.52 -41.92 86.54 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.497 0.665 . . . . 0.0 109.414 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -68.75 -40.85 79.59 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.104 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 30.3 mmmt -58.34 -32.48 68.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.32 175.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.464 ' HA ' HG21 ' B' ' 398' ' ' ILE . 59.9 tp -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.164 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 0.2 OUTLIER -81.94 -4.84 57.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.194 177.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.7 tp10 -86.03 -36.17 19.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.962 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.458 178.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.672 ' N3 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.413 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.685 ' HG2' ' HB2' ' A' ' 12' ' ' LEU . 8.1 tt0 -134.25 23.56 3.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.597 0.713 . . . . 0.0 109.384 -178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -58.92 -47.19 85.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.181 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.5 m -77.68 0.92 21.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.562 0.696 . . . . 0.0 111.006 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.685 ' HB2' ' HG2' ' A' ' 9' ' ' GLN . 63.1 mt -111.59 5.63 19.51 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.883 178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.577 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.99 7.51 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 110.261 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.0 tp -134.25 124.4 25.85 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.828 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -124.22 137.65 54.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.915 -175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.667 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 1.3 tppt? -114.52 107.17 15.17 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.587 177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.8 m -114.12 130.57 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.333 0.587 . . . . 0.0 111.113 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 HD11 ' HZ2' ' B' ' 430' ' ' TRP . 65.2 mt -117.08 113.3 42.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 178.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.5 ttm -93.07 118.28 31.02 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.9 m -105.89 170.1 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.043 0.449 . . . . 0.0 111.442 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.8 169.55 42.69 Favored Glycine 0 N--CA 1.445 -0.7 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 t -74.15 -25.83 59.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.021 0.41 . . . . 0.0 110.217 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.77 -63.07 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -149.05 -63.61 0.01 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.307 177.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t 70.55 -59.58 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 123.644 0.778 . . . . 0.0 111.03 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.6 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . 157.69 32.65 0.02 OUTLIER Glycine 0 C--N 1.315 -0.604 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.435 178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' HG2' HG21 ' A' ' 92' ' ' VAL . 34.5 mtmt -62.55 -47.34 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.24 0.543 . . . . 0.0 111.398 -175.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -63.12 -18.51 63.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.834 -172.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.642 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.33 -51.98 21.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.928 0.394 . . . . 0.0 110.534 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.34 -36.21 82.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.446 -175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 35' ' ' MET . 68.4 p -72.3 -40.36 67.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.938 -177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.962 HD23 ' HB ' ' A' ' 40' ' ' VAL . 32.5 tp -65.03 -36.15 83.44 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.829 178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.7 mm100 -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.101 0.476 . . . . 0.0 109.774 175.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -69.55 -23.97 63.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.782 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' THR . 66.8 mtp -82.33 -57.33 3.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.181 -175.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 73.5 m-85 -112.32 -4.25 14.35 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 30.6 t70 74.16 -16.05 0.55 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.813 0.445 . . . . 0.0 112.197 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -97.32 156.41 16.45 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.082 -0.386 . . . . 0.0 110.388 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -78.82 135.9 37.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.096 -174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.962 ' HB ' HD23 ' A' ' 32' ' ' LEU . 4.2 p -73.12 127.98 35.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.098 178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -100.7 -42.97 6.29 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -148.89 126.86 11.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.327 175.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -175.59 116.05 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.894 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.2 mm-40 -120.8 -48.23 0.04 OUTLIER Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.894 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 9.1 Cg_endo -49.61 97.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.766 2.311 . . . . 0.0 113.414 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.602 ' HA ' ' HB3' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -149.5 47.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.324 176.147 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' HG21 ' A' ' 78' ' ' ILE . 56.8 mtpt -79.51 -56.44 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.19 24.46 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.71 0.767 . . . . 0.0 109.218 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.6 t0 -96.15 116.69 29.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.603 -175.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.4 m -125.2 159.45 31.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.537 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.633 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 55.6 m-85 -132.69 144.55 50.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.594 0.712 . . . . 0.0 112.68 -176.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -103.26 109.82 21.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.088 -1.414 . . . . 0.0 109.808 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -106.01 139.6 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.963 0.411 . . . . 0.0 110.934 -176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 37.6 ttmt -111.14 126.74 55.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.453 175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.9 m -138.81 162.87 28.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -133.93 126.31 50.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 C-N-CA 120.086 -0.646 . . . . 0.0 111.407 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -112.72 98.22 7.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.481 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.1 t70 45.29 84.26 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.45 1.094 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.33 -107.87 0.47 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.858 175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 56' ' ' VAL . 12.3 pt-20 -119.73 157.18 29.08 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -173.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 86.9 mt-10 -59.88 125.86 25.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.335 0.588 . . . . 0.0 111.265 -174.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.577 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.6 t -108.41 148.07 12.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.637 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -113.96 148.11 37.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.892 0.377 . . . . 0.0 111.251 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -148.57 123.83 2.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.088 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.667 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 37.1 m-20 -95.58 131.08 42.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.05 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.56 116.73 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.6 tp -101.91 125.31 48.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.599 176.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -104.7 104.46 14.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 p -78.43 138.43 38.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.93 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.71 111.54 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.44 63.41 4.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.366 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -124.96 2.68 8.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.602 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 76.2 -45.7 0.52 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.775 0.83 . . . . 0.0 112.133 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB2' HD13 ' A' ' 72' ' ' LEU . 1.5 m-20 -46.68 -65.93 0.48 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HB3' HD12 ' A' ' 78' ' ' ILE . 96.5 m-85 -78.78 59.56 2.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.209 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -24.7 66.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.776 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.626 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.91 -24.7 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.193 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 51.6 mt -97.79 -28.09 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 -176.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -92.99 -65.85 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.53 -49.37 33.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.939 -171.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.626 HD22 ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -74.34 -18.3 60.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.171 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -86.86 -21.42 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 122.372 -0.205 . . . . 0.0 111.324 179.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.8 m-30 -58.57 -20.53 47.51 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.744 0.307 . . . . 0.0 111.625 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -56.71 -72.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.503 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.68 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.5 m -84.59 26.34 0.81 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -174.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.0 138.85 14.11 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.18 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 65.9 mt-10 -81.22 -74.68 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.714 0.293 . . . . 0.0 111.246 -177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.507 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -102.48 151.24 18.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.816 -173.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -126.76 129.94 49.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.964 0.411 . . . . 0.0 110.944 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -106.02 125.51 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.622 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 123' ' ' LEU . 59.1 mt -100.84 108.14 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.99 HG12 ' HB ' ' A' ' 126' ' ' VAL . 34.9 m -119.47 137.92 51.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.058 0.456 . . . . 0.0 110.85 -178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -151.91 169.61 21.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.419 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 23.0 t -110.44 144.69 38.85 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.79 -10.55 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.962 HG23 HD13 ' A' ' 132' ' ' LEU . 20.5 p -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 10.1 mm-40 -81.61 87.08 6.29 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.212 179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.38 -24.58 67.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.189 -174.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -68.67 -28.94 67.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.039 0.447 . . . . 0.0 110.638 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 62.5 m -69.11 -23.14 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.976 0.417 . . . . 0.0 110.347 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -76.94 -31.81 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.272 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -62.84 -39.4 94.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.258 0.551 . . . . 0.0 110.747 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.6 60.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.616 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 48.1 p -55.95 -42.08 75.66 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 111.555 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.55 -32.88 68.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.71 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.62 -29.65 66.09 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.923 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -60.67 -38.66 85.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.557 177.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -58.93 -58.77 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.681 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.687 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 4.8 pt-20 -61.83 -33.4 74.08 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.201 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -63.52 -41.33 98.49 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 120.98 0.419 . . . . 0.0 110.386 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 107' ' ' PHE . 79.5 mt -68.18 -42.05 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.241 176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.557 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -68.25 -16.48 63.98 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 178.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.687 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 86.2 mtt180 -69.36 -31.23 69.51 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.981 0.419 . . . . 0.0 110.446 175.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG21 ' CB ' ' A' ' 83' ' ' PHE . 18.9 m -102.95 -27.49 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.045 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 26.4 mtmm -143.46 104.33 4.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.495 173.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -117.36 -36.25 3.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.285 0.565 . . . . 0.0 109.539 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -94.97 64.5 2.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 121' ' ' ILE . 0.0 OUTLIER -107.53 -167.3 1.24 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.819 -171.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.544 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 18.5 m-20 -82.96 -87.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB3' ' HG3' ' A' ' 179' ' ' LYS . 2.9 mptp? -144.44 94.02 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.242 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 118' ' ' GLU . 71.7 mt -66.28 112.33 8.91 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.947 0.403 . . . . 0.0 110.982 175.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.732 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.1 Cg_endo -95.29 121.09 0.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 123.812 3.008 . . . . 0.0 112.19 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -110.95 151.79 27.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.574 ' CD1' ' HG3' ' A' ' 153' ' ' GLN . 3.2 tp -150.24 121.97 8.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 172.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.556 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.8 t -92.77 118.85 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.18 -177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.99 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.5 t -114.57 125.45 71.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.689 -176.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.41 110.49 3.07 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.542 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 94' ' ' SER . 52.2 t30 -107.0 150.59 26.34 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' O ' HD11 ' A' ' 132' ' ' LEU . 30.9 mmtp 57.74 81.15 0.15 Allowed 'General case' 0 C--N 1.333 -0.132 0 O-C-N 123.621 0.575 . . . . 0.0 109.582 -174.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.2 p -118.73 9.17 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.245 0.545 . . . . 0.0 110.446 -177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.65 8.28 10.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.489 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -124.1 54.65 1.33 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.762 -178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.8 -31.52 71.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.344 -174.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.44 -17.48 60.15 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.705 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -95.96 2.35 53.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.314 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 136' ' ' ARG . 39.2 ttm180 -59.54 114.29 2.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.854 -174.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -98.3 -18.44 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.653 177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.5 t -101.93 109.78 60.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.301 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.67 119.96 7.42 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.06 1.84 . . . . 0.0 110.265 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.505 HG13 ' HE2' ' A' ' 154' ' ' TYR . 10.0 t -57.0 -24.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.978 0.418 . . . . 0.0 110.466 -178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -55.27 -54.81 38.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.405 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -78.16 -23.79 47.52 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.527 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.33 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.2 0.524 . . . . 0.0 110.018 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.452 ' CD ' HG12 ' A' ' 140' ' ' VAL . 53.3 mtp180 -69.01 -36.67 78.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.187 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.5 t -58.16 -45.19 87.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.523 177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.1 mmtt -61.77 -41.58 97.88 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.089 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.13 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -66.26 -40.78 90.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.581 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.94 -36.25 80.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.019 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -87.73 -12.22 45.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.834 -178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.16 35.43 27.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.309 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.95 -177.03 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.907 0.384 . . . . 0.0 111.719 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 124' ' ' LEU . 7.0 pt20 -104.51 141.47 36.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.994 176.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.4 t80 -122.27 113.95 20.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.149 0.499 . . . . 0.0 110.1 171.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.82 142.2 39.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.441 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -84.7 139.68 31.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.051 0.453 . . . . 0.0 110.59 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 67.3 p -131.06 164.42 25.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.6 -177.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.1 t -145.5 134.19 22.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.202 174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.72 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.433 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.31 -56.99 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.907 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 35.0 p -92.93 -7.83 44.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 55.4 74.29 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.711 -174.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -123.57 122.48 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.613 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 47.2 m-80 66.97 16.32 10.33 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.894 0.746 . . . . 0.0 111.96 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.5 -56.33 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.673 0.273 . . . . 0.0 111.026 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.62 -35.5 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.356 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.42 -58.99 5.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.796 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.2 m -58.49 -26.86 31.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.6 -56.1 5.19 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.499 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.453 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.7 m-85 -66.23 -33.03 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.463 -175.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -57.26 -51.35 69.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.748 0.309 . . . . 0.0 110.92 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.732 HD11 ' HB2' ' A' ' 122' ' ' PRO . 37.3 tp -68.39 -39.53 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.046 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.35 -31.51 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.621 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.2 OUTLIER -74.0 -39.76 63.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.888 -0.142 . . . . 0.0 110.934 176.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -66.63 -31.75 72.64 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -56.21 -30.3 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.824 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.94 -51.57 69.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.179 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.16 -36.56 79.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.885 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB3' ' A' ' 120' ' ' LYS . 14.1 mptt -58.83 -52.93 63.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.276 178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.07 -35.63 71.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.41 -176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 46.1 mtt -66.39 -35.54 80.58 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 174.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 m 62.91 16.28 9.03 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.346 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -97.15 70.87 2.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.56 0.695 . . . . 0.0 110.091 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.1 t30 179.7 53.35 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 C--O 1.248 0.982 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.056 -170.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.896 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 6.1 p -118.98 83.19 1.98 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.055 0.455 . . . . 0.0 110.535 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' B' ' 395' ' ' GLN . 37.7 mt-10 -62.95 117.91 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.167 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.533 ' O ' HG12 ' B' ' 398' ' ' ILE . 37.9 m 72.29 -40.05 0.46 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.495 0.497 . . . . 0.0 111.316 -176.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.896 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 82.5 mt-30 -58.56 -29.58 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.316 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -56.98 -55.45 34.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.417 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.39 89.79 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.012 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.533 HG12 ' O ' ' B' ' 394' ' ' THR . 47.7 mm -59.28 -51.31 74.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.591 0.234 . . . . 0.0 110.51 177.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' B' ' 402' ' ' ILE . 93.3 mttt -59.48 -40.8 88.16 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.381 -178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.3 mt-10 -64.37 -36.38 83.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.883 0.373 . . . . 0.0 110.628 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 5.7 mm-40 -74.48 -37.2 63.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 176.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.69 HG12 ' HB3' ' B' ' 439' ' ' LEU . 99.5 mt -53.25 -53.01 25.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 172.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -65.66 -32.38 73.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.195 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 5.8 ttm-85 -60.84 -52.97 62.82 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 70.8 mm-40 -65.62 -33.66 76.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.781 -177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.3 mt-10 -59.52 -44.53 93.14 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -59.22 -53.45 58.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.28 -48.66 73.71 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.665 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 21.9 tp -65.74 -47.55 74.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.433 0.635 . . . . 0.0 110.358 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.689 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 53.8 t30 -56.32 -50.06 72.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.334 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.1 m -59.81 -49.55 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.519 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.13 -51.0 71.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.723 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.689 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 9.4 p80 -68.4 -31.19 70.36 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 120.218 -0.593 . . . . 0.0 111.552 -174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.4 mtt180 -68.98 -47.09 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.681 177.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -52.23 66.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -178.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 429' ' ' LEU . 10.4 mp -62.24 -26.57 68.45 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -175.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -64.05 -19.62 65.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 111.287 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.61 -1.61 86.88 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.19 1.08 51.13 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.23 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.2 mt -99.81 115.81 41.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -133.9 153.33 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.059 0.457 . . . . 0.0 110.492 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.1 t70 -148.98 163.01 38.74 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.23 -31.08 71.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.162 0.506 . . . . 0.0 110.475 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -63.52 -31.61 72.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.154 177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.2 mmtt -69.41 -51.1 39.67 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.543 -176.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.24 -36.4 77.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.83 -51.43 64.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.68 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.6 mmt180 -61.08 -44.74 96.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.127 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.553 HD11 HD22 ' B' ' 416' ' ' LEU . 16.2 mt -55.57 -53.3 58.19 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 123.544 0.528 . . . . 0.0 111.818 -176.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.68 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -66.79 -36.88 83.44 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.495 -0.482 . . . . 0.0 111.416 -179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.447 ' O ' HG13 ' B' ' 435' ' ' ILE . 28.7 mm-40 -66.36 -55.44 15.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.68 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.5 p -62.66 -33.03 57.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.082 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -55.73 -55.63 29.96 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.365 176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -69.47 -25.06 63.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.821 -177.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.5 mt -72.79 -42.61 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.82 -44.24 90.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.681 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.633 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 14.7 t -72.1 -31.46 66.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.983 0.421 . . . . 0.0 110.436 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.492 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.12 -36.88 84.33 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.69 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.59 -45.31 92.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.858 175.645 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -57.73 -40.89 80.7 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.321 0.581 . . . . 0.0 110.429 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -63.14 -46.15 88.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.919 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 32.2 mmmt -68.14 -25.13 65.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.145 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.55 -38.98 88.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.855 0.359 . . . . 0.0 110.319 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.519 0.676 . . . . 0.0 109.477 177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 1.2 tp10 -75.93 -35.6 59.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.276 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.842 -179.215 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.7 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -111.54 141.5 45.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.211 0.529 . . . . 0.0 111.176 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.8 t -164.2 -40.32 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.38 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -97.74 28.53 3.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.842 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.5 mt -126.98 23.87 6.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.151 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.634 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -105.19 11.04 33.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.695 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.2 tp -141.08 108.06 5.43 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -114.94 143.72 44.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 111.177 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.679 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -107.96 116.08 31.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.192 178.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 HD11 ' A' ' 64' ' ' ILE . 92.8 t -121.11 123.32 69.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.897 0.38 . . . . 0.0 110.737 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -111.39 130.47 64.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.0 mmt -90.18 122.92 33.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.288 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.47 142.25 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.254 0.55 . . . . 0.0 110.923 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 175.8 161.23 24.74 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -66.96 107.9 2.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.853 0.327 . . . . 0.0 110.29 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 71' ' ' GLY . . . 67.15 -88.02 0.15 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.137 -177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.6 47.99 0.36 Allowed Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -75.73 60.31 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.626 0.727 . . . . 0.0 112.029 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.656 ' HA2' ' H8 ' ' A' ' 500' ' ' GNP . . . 95.6 34.9 5.84 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.167 172.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.897 ' HB3' HG21 ' A' ' 92' ' ' VAL . 20.9 pttp -120.0 2.38 10.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.728 0.764 . . . . 0.0 112.12 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -104.69 -26.57 12.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.011 0.434 . . . . 0.0 110.519 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.71 -49.77 29.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.713 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.74 -35.11 80.0 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.675 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.2 p -67.39 -44.13 79.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.199 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.1 -37.11 79.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.127 0.489 . . . . 0.0 110.106 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.808 HE22 ' HB1' ' A' ' 159' ' ' ALA . 78.6 mt-30 -71.12 -28.91 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.274 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -72.63 -39.61 67.09 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.678 0.275 . . . . 0.0 111.356 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.725 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 4.7 mpp? -90.72 -48.36 7.1 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -98.58 -24.73 14.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 64.35 63.67 0.75 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.552 -175.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -160.26 149.75 17.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.845 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -77.96 136.74 38.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -69.74 118.04 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.873 0.844 . . . . 0.0 111.472 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -123.02 -37.08 2.77 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.015 176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -134.77 85.37 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.757 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -173.97 104.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.89 174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.662 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.6 mm-40 -100.83 -59.64 0.11 Allowed Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 118.56 -0.733 . . . . 0.0 112.91 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.662 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 94.1 Cg_exo -17.92 -99.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.272 0 C-N-CA 125.262 3.975 . . . . 0.0 115.706 -166.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.435 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 1.9 p 44.13 28.36 0.26 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -86.98 -57.51 2.94 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.601 0.715 . . . . 0.0 109.353 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.24 12.63 8.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.294 170.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.514 ' CG ' ' HZ1' ' B' ' 440' ' ' LYS . 15.6 t70 -96.85 104.93 16.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.809 -171.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -115.28 176.32 5.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.391 178.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -151.55 159.12 44.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.42 ' HG2' ' OD1' ' A' ' 65' ' ' ASP . 31.7 mtp180 -107.1 137.96 44.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.406 -175.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.725 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.2 tptt -128.81 134.46 48.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.733 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 23.4 ttmm -118.17 130.75 56.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 110.239 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.09 149.28 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.875 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.3 p -119.86 129.99 74.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 121.296 0.57 . . . . 0.0 110.754 177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 170' ' ' PHE . 95.2 mt -118.96 99.4 6.71 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.415 175.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 75.61 -37.21 0.32 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 124.02 0.825 . . . . 0.0 112.473 174.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.87 -102.16 1.62 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.329 -0.939 . . . . 0.0 114.795 -169.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.512 ' O ' HG23 ' A' ' 56' ' ' VAL . 21.3 pt-20 -97.49 153.57 18.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.671 0.272 . . . . 0.0 111.03 -170.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 42.1 mt-10 -67.53 109.1 3.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.545 . . . . 0.0 109.902 175.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG13 ' HA ' ' A' ' 13' ' ' ALA . 89.8 t -105.97 137.49 35.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.031 -173.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 54' ' ' LYS . 17.3 pt20 -113.41 139.57 48.79 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.518 0.675 . . . . 0.0 111.25 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.408 HD11 HG21 ' A' ' 17' ' ' VAL . 6.9 tt -123.05 121.48 63.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.796 -179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 13.0 m-20 -93.94 130.26 40.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 42.7 mm -107.43 116.26 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.635 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -111.01 108.52 18.28 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.89 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -93.91 125.49 38.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.8 p -86.57 145.83 26.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -172.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.47 101.51 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.837 172.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' O ' ' HA2' ' A' ' 23' ' ' GLY . . . -78.1 68.81 2.8 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.575 -177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -141.48 173.04 11.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.922 0.392 . . . . 0.0 110.601 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.29 5.99 49.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.6 -175.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -87.37 -82.58 0.22 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.886 -179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.7 68.38 6.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.216 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.82 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.807 177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.505 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.76 -10.43 56.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.408 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.6 mt -98.3 -23.5 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.501 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -92.27 -66.11 0.95 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.071 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.1 -45.24 42.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.51 -171.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.505 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 92.0 m-20 -72.92 -17.47 61.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.82 -174.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -82.28 -15.17 53.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB2' HG21 ' A' ' 114' ' ' VAL . 20.7 m-85 -69.39 -16.69 63.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER -50.9 -58.06 6.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -171.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 p -105.91 27.06 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.031 0.444 . . . . 0.0 111.45 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.31 123.14 7.51 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.549 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' H ' ' HB3' ' A' ' 16' ' ' LYS . 30.4 mt-10 -77.47 -72.16 0.37 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.908 0.354 . . . . 0.0 110.237 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.48 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -95.1 138.29 13.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.803 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 121' ' ' ILE . 53.9 m-85 -121.88 126.46 48.75 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.7 mt -104.48 111.98 24.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.651 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 104' ' ' THR . 11.2 mp -88.4 107.83 19.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.731 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.897 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.1 m -106.58 139.65 27.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.157 0.503 . . . . 0.0 111.243 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -154.68 158.31 39.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.564 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.829 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -96.43 147.98 23.26 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.494 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.12 10.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.855 -176.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.487 HG21 HD13 ' A' ' 132' ' ' LEU . 15.9 p -114.54 -17.25 11.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.015 0.436 . . . . 0.0 110.984 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.829 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 31.9 mm-40 -95.09 104.46 16.33 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.715 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -71.64 -35.48 70.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.35 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.38 -48.15 81.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.954 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.9 m -60.93 -35.51 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -63.67 -42.57 98.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.4 m -73.26 -32.87 64.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.954 0.406 . . . . 0.0 110.82 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.22 -22.05 66.83 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.032 -177.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.442 ' HB ' HD23 ' A' ' 91' ' ' LEU . 69.1 p -55.97 -38.95 71.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.018 0.437 . . . . 0.0 110.474 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -46.48 87.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.243 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -56.52 -46.31 80.63 Favored 'General case' 0 N--CA 1.46 0.068 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.845 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.53 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.2 m-85 -57.8 -51.8 68.1 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.428 ' O ' HD13 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -59.83 -43.77 94.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.098 -178.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.49 -43.29 90.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.893 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.76 -31.71 69.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.781 0.324 . . . . 0.0 110.764 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.7 mt -59.62 -46.35 93.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 172.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.718 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.9 mp -75.41 -3.16 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.871 178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 113' ' ' ARG . 9.0 tpp180 -79.25 -36.46 39.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.439 . . . . 0.0 109.825 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB2' ' A' ' 83' ' ' PHE . 31.0 m -99.07 -34.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.713 176.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 54.9 mtpt -124.29 93.48 3.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.854 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 9.56 23.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.471 ' C ' ' H ' ' A' ' 119' ' ' ASP . 72.2 mm-40 -115.49 92.76 4.02 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' HA ' ' HB ' ' A' ' 121' ' ' ILE . 52.6 mt-10 -67.1 14.21 0.05 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.129 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 117' ' ' GLU . 8.9 t70 -60.66 -36.16 78.01 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 123.232 0.613 . . . . 0.0 111.192 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.971 ' HE3' ' HA ' ' A' ' 180' ' ' LYS . 46.9 mmtm -124.08 39.38 3.98 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.512 HG22 HD11 ' A' ' 123' ' ' LEU . 51.4 mt -128.98 87.84 53.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.278 178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.48 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 9.9 Cg_endo -91.3 127.3 1.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.345 2.697 . . . . 0.0 111.327 171.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.576 ' HB2' HG11 ' A' ' 152' ' ' VAL . 5.1 mp -115.16 135.96 53.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.288 0.566 . . . . 0.0 110.855 -178.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.833 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.7 tp -128.05 117.6 21.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.172 174.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 19.9 t -84.4 117.18 29.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.596 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.693 ' HB ' HG12 ' A' ' 92' ' ' VAL . 47.0 t -105.97 109.54 28.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.706 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -86.3 97.22 2.2 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -98.14 175.74 5.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 131' ' ' ASP . 22.0 tptm 62.46 25.76 15.35 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.725 0.64 . . . . 0.0 109.932 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.3 t -72.44 29.42 0.06 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.941 0.877 . . . . 0.0 110.964 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.3 t70 -91.24 -11.13 39.1 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 96' ' ' THR . 26.2 mt -96.22 41.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.201 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.31 -21.28 61.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.622 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.783 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 4.4 pt-20 -90.58 -16.13 29.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.653 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.783 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 85.9 mtt180 -121.89 13.88 10.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.011 0.434 . . . . 0.0 110.162 -173.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.15 114.07 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.906 -177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -93.4 -28.92 15.86 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.615 -176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.429 HG12 ' C ' ' A' ' 95' ' ' ILE . 10.6 p -111.5 122.22 38.02 Favored Pre-proline 0 C--N 1.328 -0.342 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.107 176.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.598 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 40.6 Cg_exo -58.64 124.87 16.74 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 123.068 2.512 . . . . 0.0 112.599 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.83 -25.03 33.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.59 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -64.69 -42.45 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.456 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.598 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.3 pt-20 -81.52 -18.03 46.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.568 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.51 68.77 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.6 mtp180 -62.02 -42.16 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.155 174.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -57.19 -33.5 67.55 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.219 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.05 -46.01 83.02 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.931 0.396 . . . . 0.0 110.672 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.74 -34.89 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.593 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.26 -41.43 99.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.135 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -68.16 -42.1 80.55 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.56 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 47.4 m0 -78.02 -22.08 49.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.196 -176.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.19 35.55 14.73 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.42 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 123' ' ' LEU . 27.1 m -123.32 -179.12 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -178.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.833 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.2 pm0 -108.07 149.31 28.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.161 177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -118.07 121.02 39.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.835 176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -125.72 130.3 72.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -85.9 140.18 30.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.009 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.4 p -126.91 149.71 49.66 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.146 0.498 . . . . 0.0 110.646 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.4 t -133.56 107.78 8.2 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.959 176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.808 ' HB1' HE22 ' A' ' 33' ' ' GLN . . . -78.53 -6.2 54.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.528 178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -65.52 -43.91 88.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.418 0.628 . . . . 0.0 110.325 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -121.01 9.44 10.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.334 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 57.51 59.25 3.37 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 121.414 0.626 . . . . 0.0 111.2 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -109.33 125.4 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.404 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 65.52 17.79 11.05 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.662 0.785 . . . . 0.0 112.041 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 62.1 t -67.08 -51.43 54.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.577 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.9 -38.16 82.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.66 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -54.45 -52.02 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.309 -172.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.3 m -57.65 -34.6 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -175.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -75.38 -46.47 32.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.468 ' CD1' HD11 ' A' ' 57' ' ' LEU . 42.2 m-85 -67.0 -46.25 75.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.505 -177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.25 -41.13 92.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.478 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.7 tp -62.59 -43.85 97.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.381 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.6 -30.69 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.527 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -63.25 -48.8 76.67 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.814 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -59.71 -36.34 76.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.291 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.7 mt -58.84 -39.24 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -62.52 -51.72 66.28 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.899 0.38 . . . . 0.0 110.007 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -59.53 -43.04 93.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.223 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -66.0 -37.38 85.78 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.157 -178.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.971 ' HA ' ' HE3' ' A' ' 120' ' ' LYS . 46.6 mtpt -74.41 -44.61 51.16 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 59.4 mtm -73.51 -23.65 60.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.594 0.235 . . . . 0.0 110.997 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 27.4 t 67.75 12.18 8.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.519 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.59 92.08 8.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.338 0.589 . . . . 0.0 110.15 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -91.65 -11.72 36.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.675 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 25.0 pttm . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -178.388 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 33.1 p 46.89 -84.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.44 1.096 . . . . 0.0 113.54 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 64.83 -83.67 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 123.23 0.612 . . . . 0.0 110.996 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.571 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.6 m -66.61 -36.99 83.93 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.191 0.52 . . . . 0.0 109.702 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.434 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 79.0 mt-30 -61.79 -28.16 69.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.433 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -58.95 -51.97 67.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.364 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.27 94.06 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.835 -0.697 . . . . 0.0 111.833 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.571 HG12 ' O ' ' B' ' 394' ' ' THR . 50.6 mm -57.77 -49.88 79.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.817 0.342 . . . . 0.0 110.692 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.7 mttt -59.15 -40.19 84.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.2 mt-10 -62.28 -44.04 97.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.604 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 33.8 mt-10 -69.92 -36.18 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.443 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.584 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.4 mt -54.48 -52.91 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 173.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.518 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 22.4 mmm180 -61.45 -35.1 76.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.65 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -62.53 -44.2 96.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.645 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.5 mm-40 -74.35 -32.77 62.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -177.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 47.0 mt-10 -59.3 -44.13 92.56 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.135 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -62.66 -49.45 75.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.097 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.641 ' HB2' HG21 ' B' ' 432' ' ' VAL . 89.0 mt -57.37 -47.61 81.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.042 0.449 . . . . 0.0 110.76 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.86 -48.29 77.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.998 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 9.1 t30 -60.27 -35.27 75.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.177 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . 0.464 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 8.7 t -62.88 -55.22 28.03 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.451 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -56.92 -35.37 68.96 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.045 0.45 . . . . 0.0 110.598 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.659 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 22.0 m170 -61.26 -33.15 73.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.148 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 77.1 mtm180 -78.05 -52.85 8.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.985 0.422 . . . . 0.0 111.087 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -59.46 -51.6 69.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.033 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.2 mp -69.36 -26.58 64.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.805 0.336 . . . . 0.0 111.312 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.659 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.3 tt0 -63.41 -23.45 67.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.823 -177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.53 -5.63 78.61 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.385 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.15 -1.73 31.35 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.856 -0.688 . . . . 0.0 113.152 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.4 mt -105.65 115.84 48.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 122.707 -0.29 . . . . 0.0 110.586 -178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.81 155.83 47.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.084 0.468 . . . . 0.0 110.538 177.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.5 t70 -148.31 168.23 23.1 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.76 -39.64 92.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.801 0.334 . . . . 0.0 110.96 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 20.2 m -62.91 -32.65 73.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.708 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.696 ' HB3' HD11 ' B' ' 416' ' ' LEU . 30.9 mmtt -73.0 -52.43 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.534 -177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -58.84 -45.19 90.62 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.265 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -72.79 -34.21 66.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' B' ' 424' ' ' SER . 17.6 tpt180 -66.45 -35.01 79.23 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.483 HD11 HD22 ' B' ' 416' ' ' LEU . 9.4 mt -56.14 -53.94 51.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.776 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 65.3 m95 -64.71 -30.9 71.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.899 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.627 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 43.8 mt-10 -64.47 -56.63 12.94 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.171 179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.641 HG21 ' HB2' ' B' ' 408' ' ' LEU . 4.0 p -63.61 -33.82 63.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.285 0.564 . . . . 0.0 110.407 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -55.42 -53.74 52.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.486 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.627 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 0.6 OUTLIER -67.57 -26.69 66.41 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.714 -177.658 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.2 mt -72.65 -41.21 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.473 178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.44 HD13 ' HB2' ' B' ' 405' ' ' GLN . 51.0 tp -59.23 -45.64 90.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 178.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -73.26 -25.36 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.884 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.92 -39.54 79.6 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.584 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -59.75 -40.23 87.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.549 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.514 ' HZ1' ' CG ' ' A' ' 49' ' ' ASP . 92.8 mttt -56.74 -44.14 81.4 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.173 0.511 . . . . 0.0 110.405 176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' B' ' 445' ' ' GLU . 1.0 OUTLIER -63.6 -44.92 92.6 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.772 -179.197 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.526 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.5 mmmm -61.06 -36.27 79.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.788 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.448 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.5 tp -63.25 -47.35 82.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.758 0.313 . . . . 0.0 110.673 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -81.97 -5.69 58.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.077 0.465 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 441' ' ' ARG . 37.2 tt0 -84.48 -37.54 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.299 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.671 -178.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.656 ' H8 ' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.984 -0.447 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.877 ' HB3' HD21 ' A' ' 12' ' ' LEU . 9.7 tt0 -169.38 -68.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -169.14 -86.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 m -92.44 50.05 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.984 0.421 . . . . 0.0 111.92 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.877 HD21 ' HB3' ' A' ' 9' ' ' GLN . 1.1 pt? -149.15 22.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.235 0.54 . . . . 0.0 110.692 176.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.4 4.0 50.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.769 0.795 . . . . 0.0 109.783 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.31 136.16 49.93 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.851 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' HB3' HD12 ' A' ' 176' ' ' ILE . 86.9 m-70 -135.35 144.97 46.95 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -138.86 107.46 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -112.19 128.21 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.246 -173.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG21 ' HE1' ' A' ' 83' ' ' PHE . 53.5 mt -110.1 120.34 60.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.565 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 53.4 ttm -102.23 121.28 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.872 0.368 . . . . 0.0 110.34 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.7 m -99.83 169.93 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.975 -176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.76 -178.97 46.36 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -93.89 13.83 21.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.184 0.516 . . . . 0.0 110.974 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.92 -63.63 0.31 Allowed Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.485 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.16 -114.5 1.37 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.5 t 69.86 -49.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 123.383 0.673 . . . . 0.0 111.07 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.522 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 117.23 35.5 1.1 Allowed Glycine 0 N--CA 1.447 -0.633 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.718 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.7 pttp -81.85 -1.17 46.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.908 0.385 . . . . 0.0 111.887 -175.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.5 m -92.04 -8.95 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 110.154 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.8 -55.86 6.82 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.976 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' HG ' HG13 ' A' ' 165' ' ' VAL . 7.5 mp -60.29 -35.61 75.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.822 -172.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 67.5 p -66.71 -47.13 73.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.312 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HB3' HG22 ' A' ' 40' ' ' VAL . 9.8 tt -65.47 -41.03 93.8 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 50.1 mt-30 -62.4 -33.24 74.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -73.43 -40.92 63.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.078 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.5 mtp -72.66 -50.03 27.71 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 1.22 34.88 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.655 -176.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 63.12 19.75 11.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.941 174.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.516 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 14.3 pt-20 -135.78 172.93 12.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.631 0.253 . . . . 0.0 110.461 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -76.38 150.46 36.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 109.958 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 32' ' ' LEU . 56.9 t -73.01 107.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.719 -175.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -74.54 -50.57 17.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.391 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -160.27 145.77 15.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.7 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -173.16 110.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.12 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.803 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.3 mt-10 -102.04 -63.43 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -177.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.803 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 24.3 Cg_exo -61.42 113.47 1.8 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.286 1.991 . . . . 0.0 113.228 -170.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.708 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -158.04 47.61 0.37 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.594 175.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HE3' HD21 ' A' ' 72' ' ' LEU . 13.7 mmmm -87.21 -56.94 3.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.362 0.601 . . . . 0.0 109.666 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.22 18.05 8.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.374 172.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.0 m-20 -84.72 88.97 7.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.233 -171.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 m -96.1 142.09 28.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -134.57 169.81 16.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.115 0.483 . . . . 0.0 111.868 -175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -118.04 150.36 39.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.27 -170.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -135.92 129.79 32.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.621 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -101.79 116.8 33.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.227 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 153.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 p -124.77 116.54 47.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.396 0.617 . . . . 0.0 110.244 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 97.7 mt -99.41 100.8 11.9 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.282 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 25.2 t70 76.17 -40.83 0.4 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.777 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.7 -34.59 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.172 -1.014 . . . . 0.0 113.727 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.59 127.97 34.95 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 117.397 0.599 . . . . 0.0 110.609 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.28 111.79 12.09 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.51 141.4 21.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.569 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -114.45 127.05 55.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.245 0.545 . . . . 0.0 111.559 -172.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -126.78 136.72 60.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.839 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.44 134.51 49.46 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.244 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.16 114.79 47.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.567 0.223 . . . . 0.0 111.339 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.421 HD23 HG12 ' A' ' 18' ' ' ILE . 53.8 tp -103.75 103.95 13.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.605 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -92.39 95.01 9.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 174.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.9 p -71.04 145.46 49.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.201 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -75.27 113.69 12.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.78 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.53 78.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.021 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD21 ' HE3' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -155.44 171.17 20.35 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.611 0.243 . . . . 0.0 110.657 -178.517 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -93.26 -3.8 53.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.343 -177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 11.1 m-20 -71.46 -78.47 0.08 Allowed 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.317 0.58 . . . . 0.0 110.432 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -79.33 71.51 5.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.262 -175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -22.99 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.088 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.843 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.19 178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.808 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 56.8 mt -80.8 -18.42 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.65 0.738 . . . . 0.0 109.848 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -91.84 -63.89 1.19 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.763 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -75.57 -58.06 3.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.08 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.843 HD22 ' HA ' ' A' ' 77' ' ' ALA . 51.6 m-80 -66.02 -17.37 64.64 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -173.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.808 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -89.88 -13.41 36.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.504 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.2 m-30 -88.31 87.76 7.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' NH2' HD12 ' B' ' 423' ' ' LEU . 35.2 ttp85 -170.39 -49.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.365 166.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.7 t -66.06 -16.78 64.22 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.19 137.5 14.12 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.637 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -98.42 -42.88 7.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 117.166 0.483 . . . . 0.0 112.056 -176.042 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.81 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -82.22 132.37 11.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 113.702 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' CE2' ' HE2' ' A' ' 115' ' ' LYS . 97.2 m-85 -124.65 142.88 51.06 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.052 0.453 . . . . 0.0 111.132 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.4 mt -115.29 111.03 20.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.084 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mp -89.32 106.79 18.68 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.838 HG12 ' HB ' ' A' ' 126' ' ' VAL . 28.7 m -105.45 137.39 35.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.002 0.43 . . . . 0.0 110.629 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -142.84 151.76 41.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.53 177.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.9 p -105.93 132.86 51.52 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 4.31 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -173.1 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.797 HG23 HD13 ' A' ' 132' ' ' LEU . 24.1 p -94.97 -20.92 18.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.812 0.339 . . . . 0.0 110.732 173.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -108.52 103.13 12.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.92 -177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -72.3 -21.19 61.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.065 0.459 . . . . 0.0 109.842 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -64.31 -54.89 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.965 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.2 p -67.36 -30.75 70.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.551 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.6 m -78.7 -29.28 45.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.183 0.516 . . . . 0.0 110.719 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.29 -16.9 64.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.982 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 41.0 p -56.94 -41.34 78.06 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.88 -36.39 83.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.511 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.19 -41.15 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.325 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.485 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -59.2 -47.99 83.27 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.142 177.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -54.12 -55.02 31.67 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.908 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.43 -28.79 69.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.867 -177.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.43 -33.92 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.048 0.451 . . . . 0.0 110.083 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 95.2 mt -65.87 -47.53 85.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.801 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.97 -7.71 48.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 111.49 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -78.86 -47.39 16.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.158 0.504 . . . . 0.0 110.535 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.751 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.3 m -100.37 -8.09 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.707 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.751 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.3 mtpp -133.14 106.18 7.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.403 -176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.34 11.95 0.72 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.837 0.351 . . . . 0.0 111.229 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -106.5 -9.43 16.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -173.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 4.6 pt-20 -98.62 -174.25 2.75 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.27 -66.43 0.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.786 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -153.11 135.48 15.02 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.518 -174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.3 mt -99.69 107.07 44.06 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.902 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.81 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 79.0 Cg_endo -86.19 128.62 3.16 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 123.052 2.501 . . . . 0.0 112.642 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.701 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 6.5 mp -118.72 122.85 43.46 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 176.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.2 tp -119.82 114.6 22.36 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 176.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 18.9 t -85.58 127.82 39.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.838 ' HB ' HG12 ' A' ' 92' ' ' VAL . 44.2 t -115.52 118.05 57.56 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -77.02 108.62 2.61 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 174.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.406 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.2 t30 -106.43 156.66 18.3 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -176.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 33.8 mmtp 67.62 28.34 7.45 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.657 0.598 . . . . 0.0 110.749 -177.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.6 m -74.06 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.455 0.645 . . . . 0.0 110.29 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.99 20.55 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.086 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.797 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -141.41 46.17 1.72 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.389 179.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.47 -21.9 64.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.856 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -65.35 -23.73 67.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.043 0.449 . . . . 0.0 110.325 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -105.54 7.0 32.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.873 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -58.9 115.34 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.55 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -91.92 -30.94 15.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.297 . . . . 0.0 110.654 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.8 p -119.48 122.0 29.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 0.0 110.925 -177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -64.85 122.28 10.05 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.248 1.965 . . . . 0.0 111.064 175.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.613 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -67.86 -8.88 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.275 -175.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -56.28 -46.48 79.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.987 0.422 . . . . 0.0 110.521 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.99 -16.94 42.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.25 -43.59 70.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.39 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.613 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 52.9 mtm-85 -58.4 -37.52 75.47 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.141 0.496 . . . . 0.0 110.508 174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.3 t -57.2 -47.06 82.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.009 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 68.2 mmtt -62.88 -34.42 77.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.535 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.427 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -59.0 -47.48 85.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.19 0.519 . . . . 0.0 110.064 175.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -67.69 -35.7 79.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.656 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -66.28 -30.34 70.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.441 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -91.21 -6.83 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.863 0.363 . . . . 0.0 110.677 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.52 26.78 62.56 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.174 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.701 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 12.0 m -115.01 -174.86 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.77 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -114.12 149.06 36.17 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.033 -0.667 . . . . 0.0 111.272 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.1 t80 -120.22 122.97 42.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.06 175.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.495 HG23 HD11 ' A' ' 124' ' ' LEU . 60.7 t -121.09 128.57 76.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.628 177.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -94.3 131.94 39.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.284 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.0 p -132.25 133.79 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.158 0.504 . . . . 0.0 112.061 -174.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.48 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 18.1 m -106.0 88.56 2.83 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.56 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -61.64 -27.32 68.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.875 -174.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.11 -36.86 71.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.739 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.8 p -111.61 8.53 20.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.197 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.503 ' HG2' ' NE2' ' A' ' 33' ' ' GLN . 86.4 mtm180 61.8 20.53 11.5 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.485 -177.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.28 116.79 17.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.259 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 70.44 7.4 6.2 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 123.989 0.806 . . . . 0.0 112.181 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.438 HG13 ' HG ' ' A' ' 30' ' ' LEU . 79.0 t -66.05 -38.43 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 111.669 -177.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.79 -24.7 58.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.27 -175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.57 -47.69 71.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.075 -173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -56.14 -30.75 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -175.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -74.7 -48.11 27.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.973 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.2 m-85 -69.88 -38.17 76.28 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -51.95 67.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.673 0.273 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.1 tp -66.5 -31.99 73.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.143 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.1 ttm -63.14 -34.18 77.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 13.0 mmt180 -72.04 -37.63 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.531 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.48 -29.44 67.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.333 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 34.8 mt -66.09 -27.2 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.565 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.518 ' HG2' HD12 ' A' ' 12' ' ' LEU . 74.5 mtt180 -62.43 -32.65 73.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.133 0.492 . . . . 0.0 110.891 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 10.0 m -63.97 -30.34 71.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.62 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 9.6 mptt -68.9 -54.49 15.21 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -175.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -71.95 -21.91 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.657 -175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.9 mtt -78.83 -42.28 28.03 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.5 t 61.1 -70.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.363 1.065 . . . . 0.0 111.592 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -127.2 95.0 4.15 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -94.3 -20.77 19.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.435 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.765 -179.668 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 19.2 p -166.84 -39.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.502 0.191 . . . . 0.0 111.297 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.03 -47.13 81.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.916 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.572 ' O ' HG12 ' B' ' 398' ' ' ILE . 31.5 m -77.74 -35.56 51.72 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.827 0.346 . . . . 0.0 110.252 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.78 -33.38 71.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.796 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.29 -52.8 62.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 176.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.9 -38.63 95.76 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.851 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 394' ' ' THR . 46.8 mm -57.66 -48.09 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.565 0.221 . . . . 0.0 110.882 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.4 mttm -57.56 -44.32 85.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.441 -178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -66.74 -39.3 87.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 45.0 mt-10 -62.12 -45.61 92.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.631 0.253 . . . . 0.0 110.516 176.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.61 HG12 ' HB3' ' B' ' 439' ' ' LEU . 71.7 mt -55.35 -52.82 42.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.105 175.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.3 mtp180 -58.18 -37.9 75.64 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.588 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 20.0 ttm180 -57.5 -49.84 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.261 176.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.478 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.9 mm-40 -73.11 -33.62 65.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.684 -176.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 77.2 mt-10 -60.37 -42.45 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -65.53 -47.05 77.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.795 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.9 mt -62.4 -51.84 65.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.595 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.401 HD13 HG13 ' B' ' 432' ' ' VAL . 59.8 tp -63.94 -34.44 77.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 110.119 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.634 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 46.4 t30 -59.38 -50.42 74.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 175.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 11.6 t -59.24 -51.05 71.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.003 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -52.24 -53.39 44.24 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.634 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 7.7 p80 -68.63 -28.95 67.36 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.195 -176.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -77.78 -52.93 8.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.292 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -65.93 -45.14 82.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.975 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.8 mp -63.7 -28.94 70.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.276 0.56 . . . . 0.0 110.927 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -68.26 -28.71 67.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.276 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -15.21 75.58 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.701 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.78 -8.52 7.26 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.969 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 62.1 mt -83.75 115.77 26.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -139.16 140.6 37.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.722 0.773 . . . . 0.0 111.435 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.719 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.5 t70 -150.81 166.92 29.04 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.47 HD12 ' NH2' ' A' ' 84' ' ' ARG . 2.7 mm? -65.5 -34.55 78.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.029 0.443 . . . . 0.0 110.233 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -64.46 -31.53 72.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.664 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.719 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 61.2 mmtt -69.11 -43.16 75.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' A' ' 84' ' ' ARG . 37.6 mt-10 -60.45 -46.19 90.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.551 178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.05 -42.9 99.84 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.132 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.9 mmt180 -63.64 -41.84 98.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.676 178.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.7 mt -55.8 -56.18 23.65 Favored 'General case' 0 CA--C 1.518 -0.266 0 O-C-N 123.325 0.391 . . . . 0.0 110.938 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.73 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 22.3 m95 -64.84 -41.43 95.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.52 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.458 ' O ' HG13 ' B' ' 435' ' ' ILE . 11.5 tp10 -57.67 -56.21 24.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.693 0.283 . . . . 0.0 110.887 -176.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' B' ' 435' ' ' ILE . 12.1 p -62.66 -33.41 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.489 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.525 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.1 tp60 -54.57 -52.71 61.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.59 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.73 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.14 -35.21 77.72 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.501 -178.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' B' ' 432' ' ' VAL . 36.0 mt -64.98 -43.29 96.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.205 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.36 -49.54 76.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.245 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.406 HG22 ' HA ' ' B' ' 434' ' ' ARG . 13.3 t -71.65 -33.95 69.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.88 0.372 . . . . 0.0 110.879 -175.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -68.86 -35.04 76.45 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.104 176.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 1.002 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -63.96 -42.74 97.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.21 -29.73 70.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.983 0.42 . . . . 0.0 110.06 177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.0 tmt_? -67.94 -41.2 82.9 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 172.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 1.002 ' HD3' HD13 ' B' ' 439' ' ' LEU . 53.2 mtpt -57.16 -37.5 72.17 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.528 176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.413 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.3 tp -66.02 -36.77 84.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.75 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -82.26 -5.28 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.784 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -93.63 -54.64 3.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.418 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.872 -177.256 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.56 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.965 -0.454 . . . . 0.0 111.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' HG3' ' HB2' ' A' ' 12' ' ' LEU . 35.8 tt0 -88.97 106.09 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.0 110.961 -176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -122.46 -56.84 1.78 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.656 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.0 m -111.41 23.59 13.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.407 0.622 . . . . 0.0 109.792 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.557 ' HB2' ' HG3' ' A' ' 9' ' ' GLN . 64.7 mt -101.07 22.26 12.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.858 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.16 12.1 33.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 110.796 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.8 tp -125.29 128.07 47.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.222 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -131.46 148.66 52.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.068 0.461 . . . . 0.0 111.467 -174.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.9 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.7 tpmt? -124.37 114.82 20.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.471 176.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 ' HB ' ' CD1' ' A' ' 66' ' ' ILE . 89.9 t -120.87 120.26 61.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -107.84 122.34 62.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.451 . . . . 0.0 110.733 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.725 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -84.84 117.37 23.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.682 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' VAL . 35.2 m -127.04 170.78 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.362 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.33 -161.44 28.49 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.443 -179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -75.15 92.65 2.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.992 0.425 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.646 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 60.46 -102.74 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.93 52.79 0.44 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.49 HG11 ' OE2' ' A' ' 97' ' ' GLU . 28.6 m -54.0 -35.92 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.78 -19.43 0.02 OUTLIER Glycine 0 C--O 1.229 -0.211 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.36 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.839 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -61.86 -18.63 60.81 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.26 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 20.6 t -72.28 -37.81 68.93 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.35 -37.7 66.0 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.249 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -57.35 -42.19 81.51 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.107 -176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.51 HG22 ' HZ ' ' A' ' 169' ' ' PHE . 45.4 p -71.29 -39.05 71.75 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.716 -178.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 28' ' ' SER . 82.9 mt -55.67 -40.41 72.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.439 177.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' GLU . 52.6 mt-30 -65.93 -32.72 74.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.201 177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -73.07 -47.48 44.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.393 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -81.16 -34.87 32.09 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -95.47 -9.75 31.72 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.116 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 67.8 7.77 5.95 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.061 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 11.2 pt-20 -144.55 170.26 16.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.758 0.314 . . . . 0.0 110.72 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 50.9 t80 -79.07 150.72 31.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.816 -174.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -86.52 136.69 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.09 0.472 . . . . 0.0 111.297 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -126.65 -39.03 2.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.002 176.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -134.44 100.49 4.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.381 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -171.42 94.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.068 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.485 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 39.4 mt-10 -84.13 -56.68 0.42 Allowed Pre-proline 0 C--O 1.238 0.453 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 177.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 28.6 Cg_endo -61.38 124.13 14.14 Favored 'Trans proline' 0 C--N 1.358 1.042 0 C-N-CA 122.45 2.1 . . . . 0.0 112.775 -176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.72 37.39 0.41 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.43 172.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -85.83 -53.18 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.271 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -124.01 27.05 7.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.632 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -102.52 88.66 3.31 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.351 -172.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -96.24 150.65 20.3 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -133.04 117.1 17.17 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.978 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 56.1 ttp180 -78.97 106.91 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -97.35 134.28 40.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -95.36 119.13 33.33 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.833 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.25 145.19 28.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.787 174.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 60' ' ' GLU . 9.9 p -115.99 120.55 65.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.545 0.688 . . . . 0.0 110.04 176.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 HD12 ' CZ ' ' A' ' 174' ' ' ARG . 0.4 OUTLIER -120.12 97.33 5.55 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.023 -178.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 59.12 37.84 24.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.725 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.69 -123.27 0.73 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.787 -1.197 . . . . 0.0 113.955 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.497 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.5 pt-20 -107.06 168.02 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.94 118.7 8.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.18 0.514 . . . . 0.0 110.72 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 60' ' ' GLU . 57.7 t -106.71 147.25 12.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.341 -176.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -113.16 118.32 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 0.0 110.387 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.4 tt -120.37 121.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.946 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.466 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 24.1 t0 -102.37 119.64 39.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.003 -176.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.53 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 45.7 mm -108.61 124.66 65.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.068 -173.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.548 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 31.1 tp -107.81 128.57 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.015 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -99.47 101.98 13.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.2 p -78.95 138.63 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.917 -174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.58 108.57 4.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.245 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.646 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -77.3 77.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.352 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.51 174.53 13.79 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 -179.274 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -97.39 0.04 47.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.298 -176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' HD13 ' A' ' 72' ' ' LEU . 19.3 m-20 -79.43 -72.66 0.38 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.271 0.558 . . . . 0.0 111.061 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.427 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.5 m-85 -78.98 76.81 5.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.102 -176.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -23.63 66.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.16 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.08 -15.2 62.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.751 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.643 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.8 mt -96.75 -31.12 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 110.717 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -91.89 -61.81 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.76 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -68.89 -54.14 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.656 -172.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 93.5 m-20 -76.5 -30.64 57.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.643 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.2 OUTLIER -74.66 -24.48 58.82 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -173.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.412 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.8 m-30 -64.9 -14.97 61.37 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -174.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG3' ' CD ' ' B' ' 426' ' ' GLU . 2.9 mmt85 -54.53 -65.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.502 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 6.0 m -80.07 15.98 1.35 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.74 0.305 . . . . 0.0 111.457 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.9 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -86.78 135.47 13.27 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.421 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 80.1 mt-10 -97.61 -72.15 0.66 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.893 0.378 . . . . 0.0 110.485 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.435 ' HA3' HD21 ' A' ' 172' ' ' LEU . . . -100.21 143.0 16.15 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.361 -177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.12 129.33 47.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.0 110.849 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -103.59 113.44 26.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.563 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 123' ' ' LEU . 80.6 mt -88.5 107.4 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.839 HG21 ' HB3' ' A' ' 27' ' ' LYS . 28.5 m -106.44 147.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.27 0.557 . . . . 0.0 112.239 -174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -156.65 148.57 22.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.598 ' HB2' ' HB3' ' A' ' 129' ' ' LYS . 98.2 p -84.76 153.17 23.19 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.901 177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 pp -66.6 10.25 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.148 0.499 . . . . 0.0 112.219 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.0 p -119.64 7.56 11.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.212 175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' OE2' HG11 ' A' ' 25' ' ' VAL . 42.5 mt-10 -118.81 97.98 5.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -80.05 -27.58 39.4 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.67 -56.44 15.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.139 177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 13.8 m -62.28 -28.28 69.61 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.37 178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.1 t80 -62.45 -43.69 98.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.697 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -75.53 -28.08 58.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.211 0.529 . . . . 0.0 110.488 177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.78 -14.57 63.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.053 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.527 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 33.8 p -55.56 -38.38 69.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.604 0.24 . . . . 0.0 111.621 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.19 87.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.77 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.66 -46.51 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.953 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-85 -61.25 -48.05 83.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.762 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -52.81 -54.94 27.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.514 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.28 -34.4 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.805 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.62 -30.35 65.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.799 0.333 . . . . 0.0 110.69 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.5 mt -64.79 -42.34 94.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 120.975 0.416 . . . . 0.0 110.51 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -71.04 -26.7 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.729 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.21 -40.83 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.755 -177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.732 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.6 m -96.44 -0.71 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.732 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -129.74 -73.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.669 0.271 . . . . 0.0 111.061 -174.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.492 ' HB3' ' OE2' ' A' ' 117' ' ' GLU . . . 60.86 -88.3 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.831 0.853 . . . . 0.0 113.145 178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.492 ' OE2' ' HB3' ' A' ' 116' ' ' ALA . 1.7 pm0 -79.7 62.73 4.06 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.58 0.705 . . . . 0.0 112.068 -174.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.42 ' HG3' ' HE3' ' A' ' 115' ' ' LYS . 11.4 mm-40 -95.78 -163.07 1.01 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.501 174.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.04 -84.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 172.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.963 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 30.6 mmmt -149.05 113.85 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.8 mt -83.09 108.31 12.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.931 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 49.6 Cg_endo -91.19 117.02 0.49 Allowed 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.012 2.475 . . . . 0.0 112.512 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 91' ' ' LEU . 6.2 mp -102.8 151.82 21.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.056 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.821 HD13 ' HG3' ' A' ' 153' ' ' GLN . 2.6 tp -145.04 117.52 8.55 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.478 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.9 t -84.44 118.04 30.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.754 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.723 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.6 t -110.22 110.22 31.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.745 -175.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.45 104.43 2.72 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.751 -0.94 . . . . 0.0 110.751 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 94' ' ' SER . 8.6 p30 -102.74 177.79 4.75 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.74 0.305 . . . . 0.0 111.201 -174.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' ' HB2' ' A' ' 94' ' ' SER . 19.2 tptm 65.63 25.26 11.62 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.79 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.6 m -70.24 0.9 5.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.211 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.92 -15.41 63.65 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.539 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 135' ' ' ARG . 71.0 mt -77.4 -53.04 8.14 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 136' ' ' ARG . 44.8 tt0 65.01 -76.63 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.362 0.665 . . . . 0.0 112.18 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.87 -12.14 60.3 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -173.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . 24.3 ttm180 -94.9 8.92 41.17 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-O 120.929 0.395 . . . . 0.0 110.3 179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 133' ' ' GLU . 39.1 ttp180 -53.28 118.89 4.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.021 -175.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.464 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 33.5 tt0 -94.28 -35.48 12.41 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.3 p -116.46 118.07 37.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.115 0.483 . . . . 0.0 110.259 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.45 133.04 35.59 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.213 1.942 . . . . 0.0 111.893 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.529 HG12 ' HG3' ' A' ' 144' ' ' ARG . 19.2 t -57.08 -20.87 13.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.223 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -55.06 -52.86 61.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.34 -178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.92 -24.75 55.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.815 0.34 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.474 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -69.39 -47.27 64.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.382 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 140' ' ' VAL . 69.3 mtp180 -63.05 -35.44 80.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.508 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -63.91 -40.67 97.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.166 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -66.89 -46.55 74.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.15 -42.37 85.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.938 0.399 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -62.46 -41.11 98.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.86 -33.72 76.49 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -81.51 -8.19 59.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.338 -178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.46 23.29 56.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.285 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.409 HG23 ' HB1' ' A' ' 147' ' ' ALA . 35.5 m -120.43 -179.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.589 0.233 . . . . 0.0 110.706 -179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.821 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -106.83 156.33 18.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.22 176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.474 ' CE2' HG13 ' A' ' 140' ' ' VAL . 83.3 t80 -121.54 124.09 43.56 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.955 175.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.38 135.6 61.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.072 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.99 149.3 25.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.317 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 7.1 p -136.38 134.49 37.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.378 0.609 . . . . 0.0 111.622 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 17.2 m -112.93 129.2 56.56 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.541 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -100.11 -35.09 9.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.667 0.27 . . . . 0.0 111.438 -172.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.462 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 28.0 tptp -70.09 -26.47 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.298 0.57 . . . . 0.0 110.144 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.5 p -109.11 -13.45 14.68 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.293 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? 60.74 83.15 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.777 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -135.23 124.79 25.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.581 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 70.68 3.24 4.47 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.004 0.815 . . . . 0.0 112.088 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.06 -40.69 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.312 0.577 . . . . 0.0 109.904 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.6 -44.17 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.331 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -56.43 -52.7 63.68 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.772 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -55.89 -30.83 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.51 ' HZ ' HG22 ' A' ' 31' ' ' THR . 61.1 m-85 -74.92 -55.34 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.545 176.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.485 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 51.8 m-85 -59.95 -39.6 86.12 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.055 0.222 . . . . 0.0 111.559 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -56.89 -51.51 68.82 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.93 0.395 . . . . 0.0 110.72 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -65.07 -40.32 94.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.231 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.4 mtp -59.87 -31.55 69.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.221 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 29.6 mmt180 -72.64 -45.07 60.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.81 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.636 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 9.0 mm-40 -57.98 -37.76 74.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 175.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.8 mt -55.81 -43.65 74.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.991 -177.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.683 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 36.2 ptt180 -66.49 -36.73 83.45 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.0 m -68.41 -41.94 79.7 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.029 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.963 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 64.9 mmtt -61.63 -41.75 97.92 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.981 0.419 . . . . 0.0 110.731 -178.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -67.15 -29.01 68.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.2 mtm -86.7 -6.83 58.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.844 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.1 m -78.25 -32.0 49.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 110.987 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.835 ' HG3' ' H ' ' A' ' 184' ' ' ASN . 5.6 tp10 -135.66 -162.71 1.3 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . 0.835 ' H ' ' HG3' ' A' ' 183' ' ' GLU . 48.7 m-80 76.14 67.72 0.06 Allowed 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.715 0.806 . . . . 0.0 110.326 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.908 177.558 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.45 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 15.8 m -68.21 -15.22 63.49 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -54.76 -55.37 30.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.958 0.408 . . . . 0.0 111.385 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.577 HG23 ' HB1' ' B' ' 446' ' ' ALA . 8.8 t -80.94 -19.51 44.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.535 -177.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 86.1 mt-30 -58.99 -28.83 66.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.776 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.01 -55.23 35.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.53 -37.92 78.62 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.727 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.546 ' O ' HG13 ' B' ' 402' ' ' ILE . 22.2 mm -54.54 -51.37 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.841 0.353 . . . . 0.0 111.028 177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.408 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.3 mttt -65.51 -32.85 74.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.536 -177.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.13 -33.48 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.709 0.29 . . . . 0.0 110.91 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 23.8 mt-10 -78.18 -34.97 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.685 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.697 HG12 ' HB3' ' B' ' 439' ' ' LEU . 69.6 mt -57.28 -54.17 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 110.256 175.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -64.29 -30.96 71.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.798 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.586 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.2 ttm180 -58.47 -48.22 81.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.788 173.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' B' ' 432' ' ' VAL . 69.9 mm-40 -75.27 -30.32 60.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.631 -177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 45.2 mt-10 -59.55 -45.28 92.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.31 -48.29 65.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.2 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 80.7 mt -60.03 -51.99 67.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.969 -177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.717 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -64.13 -34.78 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.651 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 61.2 t30 -64.07 -45.62 87.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.344 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.8 t -59.13 -51.95 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.411 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.55 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.8 mm? -52.86 -34.7 55.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.919 0.39 . . . . 0.0 111.016 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -72.81 -39.68 66.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 18.9 mtm180 -76.72 -54.08 7.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.438 0.637 . . . . 0.0 110.785 -176.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -66.95 -40.25 87.47 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.987 -168.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -72.45 -23.91 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.42 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 3.8 mt-30 -54.23 -30.44 50.09 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.851 0.46 . . . . 0.0 111.778 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.41 37.15 2.42 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.109 -0.567 . . . . 0.0 113.157 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.02 37.42 83.02 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.243 -0.503 . . . . 0.0 112.438 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.8 mt -119.06 133.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.757 0.313 . . . . 0.0 110.413 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -157.6 145.03 18.51 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.384 0.612 . . . . 0.0 110.676 172.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.648 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.79 158.91 44.49 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 176.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -59.12 -32.9 70.26 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.045 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.19 -36.72 85.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 0.0 110.297 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 34.2 mmtt -72.51 -46.25 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.035 -175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 62.7 mt-10 -59.82 -47.49 85.48 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.086 -175.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -61.35 -48.3 81.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.811 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.703 ' O ' HG12 ' B' ' 432' ' ' VAL . 25.9 mmt180 -60.76 -39.89 90.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.086 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -54.82 -54.56 40.67 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.576 0.547 . . . . 0.0 110.914 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.548 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 52.0 m95 -70.93 -31.83 68.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.603 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 37.9 tt0 -65.01 -56.44 13.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.446 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.717 HG13 HD23 ' B' ' 409' ' ' LEU . 5.6 p -62.76 -33.91 62.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.241 0.543 . . . . 0.0 110.233 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -55.49 -53.3 58.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.035 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -71.0 -26.84 63.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.109 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.5 mt -70.38 -45.21 76.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' B' ' 405' ' ' GLN . 18.1 tp -60.35 -43.59 96.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.677 0.275 . . . . 0.0 111.379 178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.0 t -68.99 -33.29 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.591 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.39 -40.18 85.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.697 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -59.14 -43.13 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.262 178.177 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.54 -41.31 89.79 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.337 0.589 . . . . 0.0 110.164 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -66.03 -44.03 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.602 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -61.04 -32.72 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.894 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.2 tp -63.28 -48.04 79.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.006 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -79.39 -7.29 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.01 0.433 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -88.7 -26.6 21.72 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.988 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.577 ' HB1' HG23 ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.219 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.541 ' C6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.86 -0.496 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' HA ' HD12 ' A' ' 12' ' ' LEU . 64.3 tt0 59.84 76.51 0.36 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.666 0.746 . . . . 0.0 111.032 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 p -143.58 -64.54 0.38 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.731 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t -95.66 16.75 16.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.44 0.638 . . . . 0.0 110.072 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.606 HD23 ' HD3' ' A' ' 180' ' ' LYS . 91.7 mt -84.3 -5.79 59.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.544 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.1 6.33 42.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.043 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.8 tp -134.92 133.76 39.93 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.281 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -135.98 131.32 34.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.71 0.29 . . . . 0.0 110.965 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.715 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.0 tpmt? -101.81 107.44 18.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.085 176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.9 p -122.51 129.66 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.273 0.559 . . . . 0.0 110.663 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.4 mt -117.14 127.14 74.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 49.7 ttm -97.16 127.17 42.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 91' ' ' LEU . 25.5 m -93.55 176.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.836 0.351 . . . . 0.0 111.23 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.488 ' HA3' ' HD2' ' A' ' 27' ' ' LYS . . . 143.21 -179.25 20.87 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 1.056 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 21.6 m -133.83 -65.02 0.68 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.876 0.338 . . . . 0.0 110.856 -178.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.05 -97.02 1.13 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.621 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.78 -85.52 1.85 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.406 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.7 t 71.33 -52.58 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 123.508 0.723 . . . . 0.0 111.637 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.49 14.03 0.62 Allowed Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.1 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -76.73 4.89 8.6 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -172.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -121.95 -33.63 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.0 110.939 175.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.49 -43.22 70.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.384 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 HG22 ' A' ' 165' ' ' VAL . 87.2 mt -65.31 -41.9 93.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.326 0.584 . . . . 0.0 110.859 -178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.571 HG23 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -62.75 -38.38 90.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.364 -173.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.1 tp -68.64 -30.96 69.78 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.005 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.75 HE22 ' HA ' ' A' ' 39' ' ' PHE . 71.0 mm-40 -63.58 -40.84 97.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.351 0.596 . . . . 0.0 110.1 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -70.2 -27.81 64.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.298 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtm -97.86 -53.12 3.5 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.898 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.23 -21.47 14.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 66.9 29.61 8.16 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.942 0.877 . . . . 0.0 109.283 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -127.06 148.34 50.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.879 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.75 ' HA ' HE22 ' A' ' 33' ' ' GLN . 67.6 t80 -81.6 149.47 28.58 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG13 ' HB3' ' A' ' 43' ' ' TYR . 24.0 t -75.17 100.75 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 111.338 -175.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -98.18 -38.2 9.4 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 172.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -151.71 86.92 1.34 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.078 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HB3' HG13 ' A' ' 40' ' ' VAL . 82.7 t80 -160.93 105.95 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.294 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.639 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -95.75 -64.3 0.11 Allowed Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.393 176.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 22.7 Cg_exo -24.5 84.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.369 1.607 0 C-N-CA 125.113 3.875 . . . . 0.0 115.269 -167.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.565 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 11.7 p -148.42 22.81 1.04 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.262 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -85.44 -58.48 2.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.246 0.546 . . . . 0.0 110.501 -175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -126.4 -20.5 4.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.973 -175.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -97.59 162.73 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.1 t -135.99 169.46 17.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.994 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 11.9 t80 -136.19 123.24 21.53 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -75.36 132.7 41.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.925 -175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -117.4 130.2 56.33 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.322 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -100.55 130.27 46.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.01 146.98 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.972 0.415 . . . . 0.0 110.459 177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 60' ' ' GLU . 8.5 p -124.64 135.97 62.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.8 OUTLIER -134.51 97.96 3.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 120.824 0.345 . . . . 0.0 110.266 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 52.09 34.87 15.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.444 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -171.45 -122.82 0.66 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 119.992 -1.099 . . . . 0.0 113.869 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' VAL . 11.0 pt-20 -102.37 156.15 17.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -173.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 117.13 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.235 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 13' ' ' ALA . 6.7 t -107.44 144.45 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.527 -178.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -113.6 125.27 53.98 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.371 0.605 . . . . 0.0 109.92 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -122.02 149.66 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.633 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -124.37 117.1 23.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.319 -176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG21 HG23 ' A' ' 31' ' ' THR . 4.4 mm -108.07 112.91 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.584 0.231 . . . . 0.0 110.775 -174.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.574 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 25.5 tp -95.7 128.05 42.25 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.446 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.565 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 32.5 t0 -92.2 -174.91 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 169.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.6 m -149.44 139.11 21.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.512 -0.742 . . . . 0.0 112.719 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' H ' HG21 ' A' ' 78' ' ' ILE . . . -85.02 100.49 11.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 163.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 1.056 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -75.48 76.14 1.34 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.92 -174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.577 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.14 171.05 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.697 0.284 . . . . 0.0 110.626 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -86.33 -29.53 22.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.204 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.12 -68.32 0.18 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.052 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.577 ' H ' HD13 ' A' ' 72' ' ' LEU . 32.7 m-85 -86.69 76.3 9.53 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.538 -175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.91 -18.99 65.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.759 -1.109 . . . . 0.0 110.789 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.71 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -71.47 -7.15 45.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.054 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.506 HG21 ' H ' ' A' ' 70' ' ' ALA . 38.5 mt -102.87 -43.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.622 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -91.35 -63.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.942 0.401 . . . . 0.0 110.619 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -67.14 -49.51 64.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.409 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.71 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 46.1 m-80 -72.77 -35.21 67.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -74.6 -36.6 62.99 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -58.03 -25.64 61.41 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.734 0.302 . . . . 0.0 111.593 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -48.88 -56.97 7.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.287 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.586 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.8 t -96.88 24.57 6.03 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.169 0.509 . . . . 0.0 111.15 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.715 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.58 141.2 15.44 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.332 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 42.7 mt-10 -89.39 -75.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 0.0 110.617 178.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -104.06 146.07 16.23 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.328 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.39 129.31 51.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.294 0.568 . . . . 0.0 111.256 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -94.06 102.58 14.65 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.792 175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' HA ' HG22 ' A' ' 20' ' ' VAL . 81.9 mt -78.94 105.07 10.01 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.795 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -111.62 134.41 54.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.119 0.485 . . . . 0.0 111.1 -177.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -145.38 163.74 33.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.311 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.54 ' HB3' ' HD3' ' A' ' 129' ' ' LYS . 5.6 p -105.05 139.39 39.81 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.297 177.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.56 11.19 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.564 0.697 . . . . 0.0 110.79 179.322 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.443 ' CG2' HD23 ' A' ' 132' ' ' LEU . 29.7 p -103.49 -50.04 3.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.074 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -83.55 99.31 10.07 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -61.23 -25.85 67.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.583 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -33.09 71.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.999 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.1 m -68.86 -36.57 78.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.053 0.454 . . . . 0.0 110.212 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.57 -38.2 86.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 m -65.92 -37.23 85.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.011 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.09 -14.75 61.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 56.7 p -57.14 -39.5 75.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.029 0.443 . . . . 0.0 111.417 -178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.42 -39.8 85.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.477 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -63.34 -44.45 94.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.86 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.544 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.3 m-85 -57.58 -51.15 70.68 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.391 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -59.24 -53.75 54.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.42 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.11 -31.14 72.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.636 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -70.37 -33.3 71.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.962 0.41 . . . . 0.0 110.12 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.6 mt -64.8 -43.07 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.853 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.49 -17.48 61.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.403 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -72.47 -36.03 68.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.908 0.385 . . . . 0.0 110.551 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.879 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.5 m -98.09 -6.82 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.446 -176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.879 ' HG3' HG23 ' A' ' 114' ' ' VAL . 25.0 mtpp -137.51 -140.14 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.97 6.15 5.75 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.551 0.74 . . . . 0.0 112.832 176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -112.57 16.19 19.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.653 0.74 . . . . 0.0 109.567 171.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.18 -155.75 0.58 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.514 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -68.15 -88.65 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 118.228 0.467 . . . . 0.0 111.566 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' A' ' 120' ' ' LYS . 12.8 mmmm -145.04 148.14 33.38 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.142 0.496 . . . . 0.0 111.085 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 68.9 mt -113.62 109.76 50.43 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.372 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.9 Cg_endo -85.66 127.81 3.27 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.962 2.441 . . . . 0.0 112.327 174.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.415 HD23 HD11 ' A' ' 91' ' ' LEU . 4.8 mp -123.28 122.64 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 0.0 110.619 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.776 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.0 tp -113.25 122.96 49.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 175.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.5 t -91.91 121.83 42.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.144 -178.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.795 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -117.12 130.22 72.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.592 -176.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -105.19 119.94 6.35 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.137 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 61.5 t30 -105.27 166.98 10.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.6 mptm? 81.22 14.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.098 0.959 . . . . 0.0 111.338 -176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m -72.05 -3.81 25.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.876 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 3.1 p30 -86.43 -1.87 57.94 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.589 176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.905 HD21 ' HB2' ' A' ' 135' ' ' ARG . 3.5 tp -98.58 -60.73 1.49 Allowed 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.408 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 38.3 tt0 69.87 -48.64 0.62 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.845 0.858 . . . . 0.0 112.473 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.607 ' HG2' ' HG3' ' A' ' 135' ' ' ARG . 3.3 tt0 -55.41 -48.14 74.84 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 123.508 0.723 . . . . 0.0 111.971 -173.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.905 ' HB2' HD21 ' A' ' 132' ' ' LEU . 66.7 mtt180 -103.08 33.51 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.856 0.36 . . . . 0.0 110.92 -175.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -64.59 113.97 4.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.959 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -91.42 -12.27 35.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.773 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.85 118.92 11.42 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.111 0.481 . . . . 0.0 110.446 175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.06 135.9 53.59 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.921 2.414 . . . . 0.0 112.552 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -63.09 -21.87 29.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.86 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.66 -56.03 25.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.11 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.74 -22.91 49.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.998 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -66.37 -39.63 89.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 111.08 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtp180 -67.42 -32.39 73.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.36 0.6 . . . . 0.0 110.381 177.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 24.6 t -75.72 -19.39 59.11 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.076 -176.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.484 ' HA ' ' OE2' ' A' ' 149' ' ' GLU . 12.1 tppt? -72.91 -41.51 64.51 Favored 'General case' 0 N--CA 1.438 -1.052 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.766 175.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -32.75 74.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.189 0.519 . . . . 0.0 110.051 172.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 145' ' ' SER . 33.9 tt0 -60.65 -38.18 83.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.795 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.484 ' OE2' ' HA ' ' A' ' 146' ' ' LYS . 47.2 mt-10 -57.8 -42.0 83.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.3 m0 -90.84 -15.34 30.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.172 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.91 32.83 43.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.951 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.0 m -110.85 -174.93 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.567 0 CA-C-O 120.569 0.223 . . . . 0.0 110.816 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.776 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -104.33 147.33 27.63 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.802 178.408 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -127.17 120.29 28.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.153 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.75 136.24 60.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.25 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -86.28 147.26 26.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.761 0.315 . . . . 0.0 110.47 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 11.0 p -130.89 148.01 52.61 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.435 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.876 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.1 m -138.25 100.26 4.08 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.22 -25.9 66.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.612 -173.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -64.54 -32.18 73.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.044 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.5 t -119.96 8.66 11.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.142 0.496 . . . . 0.0 110.365 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 60.59 30.07 19.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.794 177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -77.19 117.15 18.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.432 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 65.8 13.36 8.94 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.187 174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.41 HG22 HD22 ' A' ' 30' ' ' LEU . 95.8 t -63.08 -49.84 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.858 0.361 . . . . 0.0 110.643 -177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -76.91 -26.95 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.012 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.66 -48.5 81.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.964 -175.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.13 -25.67 30.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -72.66 -56.21 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.46 -37.4 83.48 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.593 -175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -46.53 89.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.396 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.459 ' O ' HG13 ' A' ' 176' ' ' ILE . 43.6 tp -69.76 -36.56 75.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 64' ' ' ILE . 66.8 mtp -58.94 -32.44 69.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.297 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -72.66 -42.37 64.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.117 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -59.98 -35.61 75.38 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 180' ' ' LYS . 75.5 mt -56.4 -33.75 39.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.762 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -60.46 -51.49 69.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.819 0.342 . . . . 0.0 110.283 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.3 m -55.4 -47.44 75.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.231 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -69.88 -47.25 63.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.606 ' HD3' HD23 ' A' ' 12' ' ' LEU . 10.2 tttp -61.29 -34.95 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 94.9 mtp -82.21 -13.95 56.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.925 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.5 p 48.86 87.02 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.029 0.831 . . . . 0.0 112.067 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 61.5 93.0 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.691 0.758 . . . . 0.0 111.403 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -97.12 13.84 27.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.854 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.637 -0.697 . . . . 0.0 110.206 177.318 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 112.033 -0.427 . . . . 0.0 112.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.3 p -92.55 50.01 1.55 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.907 0.384 . . . . 0.0 110.697 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -55.61 126.75 26.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.756 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.7 m 74.3 -40.8 0.46 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.477 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -62.29 -31.76 72.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.956 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.82 -54.91 41.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.976 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.58 -37.75 95.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.095 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 33.6 mm -55.94 -53.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.504 177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 65.2 mttm -59.52 -40.07 85.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.369 -177.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.93 -40.03 91.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.22 -178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 50.0 mt-10 -74.87 -31.57 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.074 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.596 HG12 ' HB3' ' B' ' 439' ' ' LEU . 80.6 mt -56.3 -50.02 73.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 170.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 76.6 mtp180 -55.4 -42.66 74.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.4 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -60.3 -53.49 57.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.293 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.612 ' HB2' HD13 ' B' ' 436' ' ' LEU . 74.5 mm-40 -67.3 -31.35 71.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.791 -173.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.445 ' OE2' HD21 ' B' ' 436' ' ' LEU . 3.8 mm-40 -59.62 -37.95 80.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.796 0.331 . . . . 0.0 110.406 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -67.55 -48.51 66.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.038 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.42 ' HB2' HG21 ' B' ' 432' ' ' VAL . 7.0 mp -56.36 -48.59 76.52 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.486 0.184 . . . . 0.0 111.44 175.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' B' ' 409' ' ' LEU . 1.8 tm? -55.78 -48.72 74.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.133 0.492 . . . . 0.0 109.714 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.85 -48.26 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.269 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.6 t -62.01 -53.2 58.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.656 HD11 ' HG3' ' B' ' 428' ' ' ARG . 37.0 mt -54.0 -35.25 61.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.982 0.42 . . . . 0.0 111.169 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.541 ' CD2' HD21 ' B' ' 429' ' ' LEU . 4.1 m-70 -66.44 -46.21 77.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.049 177.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -74.13 -33.6 63.6 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.601 0.239 . . . . 0.0 111.44 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.167 0.508 . . . . 0.0 110.348 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.709 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.6 mp -74.3 -27.16 60.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.284 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.0 -27.96 55.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.84 -14.09 82.48 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 116.09 -0.505 . . . . 0.0 113.138 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.02 2.3 39.15 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.102 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 39.9 mt -81.09 121.42 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 19.3 pttp -130.26 142.99 50.52 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 122.126 0.965 . . . . 0.0 112.912 -178.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.4 t70 -149.14 163.99 36.02 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.778 -1.555 . . . . 0.0 106.886 173.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.77 -28.41 67.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.344 0.593 . . . . 0.0 109.781 176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 13.0 m -63.26 -42.49 99.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.4 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.733 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -72.75 -37.17 67.78 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -170.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.733 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -73.6 -38.0 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -69.41 -37.25 77.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.346 0.593 . . . . 0.0 109.559 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.656 ' HG3' HD11 ' B' ' 412' ' ' LEU . 14.0 tpp180 -68.02 -37.88 81.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.694 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' B' ' 413' ' ' HIS . 0.5 OUTLIER -56.86 -50.86 71.18 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.556 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.725 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 70.1 m95 -68.13 -32.89 73.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.504 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.653 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -63.02 -55.89 21.71 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.07 0.231 . . . . 0.0 111.024 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.587 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.4 p -60.91 -34.03 57.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 109.897 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.476 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.2 tp60 -55.92 -53.67 54.01 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.5 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.725 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.3 OUTLIER -70.73 -27.35 63.9 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.062 -178.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' B' ' 432' ' ' VAL . 61.6 mt -67.62 -48.25 77.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.685 ' HG ' ' HE3' ' B' ' 440' ' ' LYS . 28.7 tp -62.15 -45.92 91.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.67 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.626 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.2 t -67.51 -34.53 77.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 0.0 110.636 -177.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.92 -37.58 75.97 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.169 175.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.596 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -56.44 -47.62 78.73 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.406 176.227 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.685 ' HE3' ' HG ' ' B' ' 436' ' ' LEU . 92.9 mttt -66.01 -34.93 79.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.935 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -64.17 -44.99 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -60.51 -32.46 71.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.068 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 58.6 tp -61.2 -48.61 80.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.915 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -77.6 -11.34 59.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -85.48 -30.71 23.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.049 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.841 -179.782 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 HE22 HD22 ' A' ' 12' ' ' LEU . 5.2 pm0 -162.11 -32.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 p -178.24 156.62 1.0 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 m -64.94 120.43 12.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.841 0.353 . . . . 0.0 110.066 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 180' ' ' LYS . 0.7 OUTLIER -115.59 33.6 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.216 0.531 . . . . 0.0 110.488 -175.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.13 16.56 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.518 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD21 HH22 ' B' ' 434' ' ' ARG . 57.4 tp -119.91 116.67 26.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.197 176.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 22.7 m-70 -127.94 152.3 48.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.838 0.351 . . . . 0.0 111.17 -174.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -122.43 124.31 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.844 177.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -124.19 110.06 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.003 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 HD12 ' CE1' ' A' ' 89' ' ' PHE . 64.9 mt -96.89 128.14 48.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 52.5 tpp -83.53 103.36 12.81 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.605 HG23 HD23 ' A' ' 91' ' ' LEU . 6.0 m -95.72 110.69 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.844 0.83 . . . . 0.0 111.988 -172.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' HA3' ' HD3' ' A' ' 27' ' ' LYS . . . -168.53 163.53 37.25 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.296 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.827 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 16.2 m -104.13 9.79 36.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 117.533 0.667 . . . . 0.0 110.398 -174.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -153.04 17.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.526 -1.029 . . . . 0.0 110.526 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -61.0 3.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.043 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 93' ' ' PHE . 20.4 m -81.79 -37.73 15.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 120.819 0.342 . . . . 0.0 111.187 -175.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.99 -63.08 0.56 Allowed Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.028 173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HD3' ' HA3' ' A' ' 21' ' ' GLY . 43.4 mtmt 71.86 -53.8 0.68 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.947 1.299 . . . . 0.0 111.352 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 503' ' ' HOH . 4.7 m -75.64 -20.73 58.29 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.532 -172.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.49 -38.27 90.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.62 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.64 -41.61 60.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 48.8 p -69.24 -41.78 76.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.442 -175.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HB ' ' A' ' 40' ' ' VAL . 84.7 mt -58.25 -27.61 64.15 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.933 HE22 ' HA ' ' A' ' 39' ' ' PHE . 64.2 mm-40 -66.95 -38.13 85.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.64 0.733 . . . . 0.0 109.786 176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.43 -17.94 61.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.246 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -112.42 -44.1 3.42 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -105.73 -4.42 20.96 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 73.38 -37.78 0.39 Allowed 'General case' 0 N--CA 1.476 0.852 0 O-C-N 123.754 0.659 . . . . 0.0 112.497 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -97.44 165.2 12.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.322 0.582 . . . . 0.0 111.62 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.933 ' HA ' HE22 ' A' ' 33' ' ' GLN . 26.0 t80 -76.34 150.81 36.82 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.349 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HD12 ' A' ' 32' ' ' LEU . 3.3 p -76.9 126.35 37.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.947 -176.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -85.6 -51.03 6.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.25 175.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -158.2 129.55 6.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.191 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -171.99 91.36 0.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.678 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.9 mt-10 -81.03 -55.95 0.64 Allowed Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.7 Cg_exo -60.54 111.34 1.0 Allowed 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.171 1.914 . . . . 0.0 112.663 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 30.01 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -78.82 -56.11 4.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.583 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.49 15.99 24.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.576 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.21 115.98 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.076 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.9 t -143.35 137.76 28.98 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.257 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -124.46 125.93 45.07 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.216 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -95.35 105.54 17.5 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 172.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -97.82 137.83 36.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.914 -171.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -98.62 120.03 38.34 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.914 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -128.96 144.33 38.5 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 174.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 p -115.75 106.78 21.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 121.726 0.774 . . . . 0.0 110.151 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.483 HD21 ' CE1' ' A' ' 170' ' ' PHE . 86.8 mt -93.0 99.59 12.18 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.105 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t70 74.14 -32.69 0.24 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.491 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -162.24 -52.3 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.23 -1.462 . . . . 0.0 114.772 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.85 140.81 29.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 117.996 0.898 . . . . 0.0 111.745 -173.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -74.33 111.07 9.15 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.935 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.22 140.65 23.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.334 -173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -113.46 128.05 56.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -122.87 124.39 70.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.804 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.603 ' HB3' ' HZ3' ' B' ' 430' ' ' TRP . 36.8 m-20 -87.24 120.31 28.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.12 128.48 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.888 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD21 ' CD2' ' A' ' 82' ' ' TYR . 21.2 tp -132.67 140.55 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.615 177.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -92.12 -41.42 10.49 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.331 0.253 . . . . 0.0 111.595 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 78' ' ' ILE . 32.6 p 65.66 152.06 0.06 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.621 1.168 . . . . 0.0 112.268 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 79' ' ' ARG . . . -98.37 131.09 44.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.822 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.827 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -95.55 65.45 1.24 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.067 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -159.28 154.03 24.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.748 0.309 . . . . 0.0 110.898 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.47 -20.22 61.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.551 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -58.4 -47.89 82.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.434 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.506 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.2 m-85 -117.65 65.87 0.74 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.56 -176.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.74 67.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.57 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.723 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -70.49 -12.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.049 0.452 . . . . 0.0 111.08 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.528 HG22 ' HA ' ' A' ' 69' ' ' THR . 16.6 mt -98.48 -28.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.117 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 70' ' ' ALA . 26.1 tpt180 -92.55 -67.13 0.87 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.79 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.29 -48.35 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.43 -172.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.723 HD22 ' HA ' ' A' ' 77' ' ' ALA . 91.6 m-20 -69.43 -15.7 63.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.492 -171.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -89.47 -3.58 58.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.808 -0.557 . . . . 0.0 112.048 179.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -76.22 -27.2 56.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HD2' ' HD2' ' A' ' 115' ' ' LYS . 12.3 mmm180 -59.4 -55.34 35.99 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -172.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.648 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 31.4 m -80.9 36.59 0.4 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.957 0.408 . . . . 0.0 111.292 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -122.29 118.9 3.8 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.867 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 34.2 mt-10 -81.17 -63.43 1.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.911 0.386 . . . . 0.0 110.506 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.27 148.14 17.06 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.461 -176.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.9 m-85 -129.87 123.15 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.274 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.77 127.37 39.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.893 0.378 . . . . 0.0 111.093 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD23 HG23 ' A' ' 20' ' ' VAL . 72.4 mt -100.12 106.54 18.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.513 177.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -117.68 129.81 73.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 121.002 0.43 . . . . 0.0 110.657 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HA ' HG11 ' A' ' 25' ' ' VAL . 25.1 p90 -144.96 157.3 44.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.194 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 128' ' ' ASN . 7.7 p -94.75 132.49 39.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.99 177.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.518 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.94 15.3 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -174.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.724 HG21 HD13 ' A' ' 132' ' ' LEU . 0.8 OUTLIER -103.61 -14.61 16.08 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.95 174.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -114.36 100.8 8.6 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.514 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.459 ' HA ' HG22 ' A' ' 138' ' ' VAL . 26.4 t-80 -65.45 -23.43 66.93 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.33 -46.38 83.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.139 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -63.61 -34.21 77.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.617 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 65.4 t80 -64.88 -48.52 73.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -28.32 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.129 0.49 . . . . 0.0 110.675 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.25 -15.64 61.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.326 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.607 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.9 p -59.09 -33.4 70.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.77 0.319 . . . . 0.0 111.257 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.57 81.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.118 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -59.65 -41.77 91.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.581 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.607 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.4 m-85 -57.71 -51.36 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.653 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -68.04 -49.87 58.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.093 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.1 mt-10 -63.77 -37.33 86.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.044 -174.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -67.03 -30.51 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.94 0.4 . . . . 0.0 110.427 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.6 mt -63.26 -48.55 86.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.099 175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.33 -21.14 63.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.533 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 28.1 mmm180 -66.66 -30.35 70.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.475 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.6 m -117.66 -3.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.059 -177.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HD2' ' HD2' ' A' ' 84' ' ' ARG . 12.8 mmmm -122.5 -142.87 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.826 -177.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.43 23.06 2.58 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.424 0.69 . . . . 0.0 111.72 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.55 -13.94 12.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.219 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -86.06 -170.43 3.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.15 0.5 . . . . 0.0 110.991 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.45 -68.21 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.929 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 25.0 mmtm -153.38 127.61 9.13 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 120.9 0.381 . . . . 0.0 111.122 -175.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.5 mt -94.52 106.78 25.77 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.116 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 74.1 Cg_endo -87.76 133.6 3.1 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.981 2.454 . . . . 0.0 112.259 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.3 131.4 45.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.265 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.768 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -116.35 120.85 40.19 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.576 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.411 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.7 t -86.96 117.78 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.05 -178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.648 ' HB ' HG12 ' A' ' 92' ' ' VAL . 26.4 t -108.54 118.28 55.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.089 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.88 94.79 1.68 Allowed Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.629 HD21 ' HB2' ' A' ' 159' ' ' ALA . 3.7 t-20 -93.77 163.15 13.64 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -176.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.52 ' HE2' ' C4 ' ' A' ' 500' ' ' GNP . 1.7 mptm? 71.81 24.05 3.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -70.92 1.01 6.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.371 0.605 . . . . 0.0 110.236 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -22.15 64.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.718 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.724 HD13 HG21 ' A' ' 96' ' ' THR . 31.3 mt -75.83 -56.63 4.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.149 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 67.91 -71.6 0.11 Allowed 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.779 0.674 . . . . 0.0 112.191 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.31 -30.6 71.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -175.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.51 ' O ' HG22 ' A' ' 96' ' ' THR . 62.5 mtp180 -89.05 11.67 17.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -57.81 114.14 2.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 0.0 111.482 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 34.9 tt0 -95.75 -30.45 13.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.987 177.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 98' ' ' HIS . 85.0 t -88.05 111.94 46.04 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.275 177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 39.2 Cg_exo -60.26 114.28 2.04 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.107 1.871 . . . . 0.0 110.877 175.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -54.91 -25.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.778 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -56.59 -51.67 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.638 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -78.58 -30.3 46.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.428 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -58.55 -51.13 71.19 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.977 177.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -69.29 -36.19 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.741 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 15.8 t -62.86 -25.41 68.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.512 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.465 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 42.8 mmtt -70.84 -37.5 73.15 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.975 -0.453 . . . . 0.0 111.057 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.17 93.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.555 173.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 145' ' ' SER . 27.1 tt0 -59.12 -46.08 89.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.805 174.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -60.95 -44.39 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.191 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -85.74 -13.16 49.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.447 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.11 39.31 20.04 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.153 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.4 m -127.61 -173.85 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.673 0.273 . . . . 0.0 110.419 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.768 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -106.86 157.7 17.56 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 121.17 0.51 . . . . 0.0 111.086 178.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -129.39 114.88 16.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.638 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.87 125.38 70.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.04 128.44 34.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.0 p -127.8 135.75 50.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.404 0.621 . . . . 0.0 112.661 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 38.4 t -95.88 114.69 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.036 -0.983 . . . . 0.0 108.758 169.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 128' ' ' ASN . . . -84.87 -13.74 50.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -78.41 -33.62 48.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 110.103 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.4 p -95.8 -10.39 29.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.733 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 62.18 37.0 14.66 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.416 -177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.63 130.14 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.474 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 62.19 16.23 8.17 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.686 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 168' ' ' VAL . 78.1 t -71.28 -40.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.171 0.51 . . . . 0.0 110.026 177.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.26 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.542 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.2 -50.83 71.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.025 -175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 165' ' ' VAL . 22.4 m -60.97 -28.04 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -76.09 -50.1 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 0.0 110.575 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.498 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 18.6 m-85 -65.56 -48.73 71.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.7 -177.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -44.13 92.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.612 -177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 176' ' ' ILE . 32.5 tp -63.14 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 0.0 110.238 -179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 64' ' ' ILE . 72.5 mtm -66.33 -31.21 71.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 14.0 mmt180 -67.31 -41.96 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.492 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.17 -36.6 80.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.404 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.608 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 74.9 mt -61.68 -36.54 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 12.6 mtt180 -52.66 -43.1 65.28 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.183 -177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -55.0 -43.01 73.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.548 0.53 . . . . 0.0 111.847 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.478 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -73.04 -34.01 66.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.727 0.299 . . . . 0.0 110.782 -178.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 28.4 mmmt -64.93 -45.23 86.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.061 -177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.434 ' HE2' HD21 ' A' ' 12' ' ' LEU . 58.1 mtt -83.07 -18.26 40.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.242 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.4 m 69.94 173.6 0.3 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.172 0.92 . . . . 0.0 111.231 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.85 -169.91 0.2 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.425 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.79 20.31 8.11 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.044 0.45 . . . . 0.0 110.786 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 19.0 pttp . . . . . 0 C--O 1.25 1.115 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.239 178.208 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 35.3 p -135.59 17.09 3.35 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.109 0.481 . . . . 0.0 110.358 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 6.3 mp0 -64.47 -47.55 78.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.669 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.447 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.5 m -75.79 -32.53 59.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.261 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -62.58 -35.88 80.94 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.961 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.55 -50.28 73.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.313 175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.21 -39.16 97.31 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.953 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.525 ' O ' HG13 ' B' ' 402' ' ' ILE . 37.9 mm -58.98 -47.99 88.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.698 0.285 . . . . 0.0 110.485 176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.97 -36.55 81.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.275 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.7 mt-10 -62.1 -45.13 94.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.337 0.589 . . . . 0.0 110.178 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.587 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 6.6 tp10 -67.46 -39.14 85.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.368 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.525 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.9 mt -57.91 -43.83 85.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.129 176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -56.62 -42.35 78.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.976 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.587 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 30.1 ttm180 -63.1 -45.36 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.684 HE21 HG23 ' B' ' 432' ' ' VAL . 14.9 mm100 -74.61 -37.2 62.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.993 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.534 ' HG2' HD21 ' B' ' 436' ' ' LEU . 70.1 mt-10 -65.45 -35.42 80.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.822 0.344 . . . . 0.0 110.102 175.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.96 -50.27 74.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.506 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.591 ' HB2' HG21 ' B' ' 432' ' ' VAL . 85.1 mt -57.68 -47.69 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.426 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 409' ' ' LEU . 2.2 tm? -62.8 -49.05 76.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.195 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -60.25 -50.6 73.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.172 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 38.5 m -61.01 -46.02 92.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 53.0 mt -60.0 -44.05 94.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 0.0 110.733 177.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.416 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.9 m170 -59.84 -48.97 79.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.031 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 414' ' ' ARG . 40.0 mtp180 -67.34 -36.25 81.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.662 -176.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -63.08 -45.74 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 110.533 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.811 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 33.8 mt -75.15 -34.35 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.122 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 3.4 mt-30 -68.05 -9.84 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.32 -12.44 83.88 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.905 172.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.43 -1.52 25.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.619 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.811 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 38.7 mt -108.74 143.33 19.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.557 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 45.3 pttt -155.4 169.05 25.14 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.583 0.706 . . . . 0.0 110.962 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.629 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 26.8 t70 -147.63 170.07 18.3 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.57 -1.271 . . . . 0.0 107.57 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.14 -33.94 75.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.118 0.485 . . . . 0.0 109.791 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.2 m -63.55 -33.87 76.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.585 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.629 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 53.5 mmtt -64.06 -54.45 33.92 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.431 0.634 . . . . 0.0 110.843 -175.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -65.46 -36.88 85.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.706 -174.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.0 mm-40 -66.77 -50.01 64.07 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.21 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.581 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 22.8 mmt180 -61.28 -34.69 75.6 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.172 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.6 mt -55.08 -56.26 21.86 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 123.587 0.555 . . . . 0.0 110.787 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.648 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 35.6 m95 -61.11 -35.86 78.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.963 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.581 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 49.2 mt-10 -64.86 -56.59 12.47 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.368 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.684 HG23 HE21 ' B' ' 405' ' ' GLN . 6.0 p -64.98 -32.83 59.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 110.055 -178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -55.26 -55.37 32.13 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.162 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.809 HH22 HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -71.12 -27.2 63.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.799 -177.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 432' ' ' VAL . 83.0 mt -66.58 -47.8 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 175.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.535 ' O ' ' HD3' ' B' ' 440' ' ' LYS . 34.9 tp -58.51 -44.4 89.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.602 -178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.46 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.8 t -70.57 -38.23 74.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.764 0.316 . . . . 0.0 111.053 -176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.58 -35.34 78.8 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.307 0.575 . . . . 0.0 109.497 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.512 HD12 ' HD3' ' B' ' 442' ' ' LYS . 36.5 tp -68.91 -35.15 76.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.414 178.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' B' ' 436' ' ' LEU . 4.9 mptp? -60.68 -34.97 75.12 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.491 0.662 . . . . 0.0 109.744 171.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.7 tmt_? -65.83 -41.05 92.28 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.698 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 26.3 mtpp -59.83 -30.68 69.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.924 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 47.4 tp -65.22 -41.26 94.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.361 0.6 . . . . 0.0 109.755 174.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -82.94 -1.9 53.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.666 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.698 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 43.8 tt0 -94.15 -26.43 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.974 -175.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.582 -179.802 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.52 ' C4 ' ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . 0.522 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.55 -40.7 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.795 0.297 . . . . 0.0 111.508 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -170.46 175.7 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -81.09 95.03 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.225 0.536 . . . . 0.0 109.84 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' CD2' ' HB2' ' A' ' 180' ' ' LYS . 68.7 mt -98.72 -5.68 31.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.444 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.567 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -93.26 -2.77 54.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.474 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.3 mm? -116.07 134.31 55.09 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.819 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -137.27 132.21 33.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.493 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -114.15 110.17 19.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.589 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.67 156.94 37.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.956 0.408 . . . . 0.0 111.533 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE1' ' A' ' 89' ' ' PHE . 53.9 mt -130.33 135.13 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.772 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.86 121.12 33.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.946 172.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG21 HD23 ' A' ' 91' ' ' LEU . 34.2 m -119.48 170.8 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.743 0.306 . . . . 0.0 111.02 -178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 25' ' ' VAL . . . 154.49 -178.94 30.99 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 p -83.28 -15.35 50.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.656 0.741 . . . . 0.0 110.341 -175.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.08 -55.42 0.73 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.757 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 43.73 2.98 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-O 121.187 0.326 . . . . 0.0 112.38 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 21' ' ' GLY . 28.2 m -117.18 -5.91 11.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.46 -0.435 . . . . 0.0 111.505 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 72.57 43.2 45.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.461 175.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -56.42 -53.81 53.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.298 0.571 . . . . 0.0 110.457 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -71.71 -21.46 61.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.571 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -43.44 73.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.934 0.397 . . . . 0.0 110.165 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD22 HG13 ' A' ' 165' ' ' VAL . 92.9 mt -73.42 -35.73 65.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.245 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 39.9 p -72.53 -42.91 64.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.281 -177.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -53.09 -46.81 68.81 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.234 175.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -63.21 -33.94 76.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.568 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -67.66 -40.74 84.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 39.7 ttm -82.3 -51.79 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -176.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -100.38 -4.88 28.14 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -170.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.17 22.52 13.2 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 121.102 0.477 . . . . 0.0 111.221 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.62 161.98 35.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.633 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -81.4 147.19 29.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -178.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.419 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.6 p -60.41 110.68 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.408 0.623 . . . . 0.0 111.588 -177.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -89.25 -56.15 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.221 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -136.38 106.61 6.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.72 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -175.45 91.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.599 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 44.3 mt-10 -81.44 -60.81 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.864 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.599 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 72.6 Cg_endo -72.05 142.99 39.46 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.703 1.602 . . . . 0.0 112.556 -173.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -154.41 44.29 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.423 171.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' O ' HD13 ' A' ' 78' ' ' ILE . 49.9 mtmt -85.87 -47.78 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 -178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -120.19 16.31 12.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.797 0.808 . . . . 0.0 109.399 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 5.3 m-20 -86.34 88.28 7.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.682 -172.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 4.1 t -91.34 137.15 32.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.006 169.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.7 OUTLIER -132.95 103.9 6.29 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.301 0.572 . . . . 0.0 109.932 177.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -77.16 120.24 21.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.26 -177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 55.9 tptt -104.87 122.65 46.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.676 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -88.97 125.64 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.878 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.423 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.5 m -129.3 142.84 42.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 9.6 p -100.72 114.94 41.21 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-O 121.7 0.762 . . . . 0.0 110.21 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.421 HD11 ' SD ' ' A' ' 173' ' ' MET . 81.5 mt -102.49 104.4 14.83 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.524 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 73.3 -25.15 0.19 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 124.118 0.886 . . . . 0.0 112.385 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.13 -30.82 0.13 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.659 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -94.41 137.49 33.5 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.917 0.389 . . . . 0.0 110.559 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 77.9 mt-10 -84.66 113.36 21.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.37 0.605 . . . . 0.0 109.486 175.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -106.38 138.66 30.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.49 -174.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.1 117.87 31.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.397 0.617 . . . . 0.0 110.832 -174.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 tt -111.23 129.3 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.477 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -90.63 123.26 34.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.172 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -108.33 112.41 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.84 0.352 . . . . 0.0 110.52 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD12 ' CH2' ' B' ' 430' ' ' TRP . 11.0 mt -105.34 123.08 47.25 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.603 173.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -102.13 148.06 25.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.393 -0.821 . . . . 0.0 108.843 176.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.7 p -114.92 148.22 38.94 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.885 0.374 . . . . 0.0 111.294 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.48 164.54 18.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.828 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -102.95 53.64 0.74 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.725 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.76 171.83 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.907 0.384 . . . . 0.0 111.329 -177.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -94.99 -14.15 24.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.488 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -53.56 -65.52 0.55 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.831 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' HB3' HD12 ' A' ' 78' ' ' ILE . 71.3 m-85 -77.91 71.46 4.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.35 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -62.02 -23.61 66.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.083 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.1 -7.02 51.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.652 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 47' ' ' LYS . 68.1 mt -110.03 -31.34 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.97 0.414 . . . . 0.0 110.744 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 2.7 ptm180 -91.67 -64.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.491 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.97 -51.75 12.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.397 . . . . 0.0 111.04 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.599 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.4 m-20 -70.08 -18.29 63.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.999 -172.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.2 m-30 -83.11 -26.34 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 19.7 m-30 -61.62 -24.03 66.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.757 0.313 . . . . 0.0 111.132 -178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.511 ' HG3' ' OE2' ' B' ' 426' ' ' GLU . 3.9 tmt_? -51.33 -58.34 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.887 -175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.17 25.67 8.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.117 0.484 . . . . 0.0 110.975 -173.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.73 164.1 30.04 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.352 -0.928 . . . . 0.0 111.609 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 39.3 mt-10 -119.73 -71.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 117.345 0.572 . . . . 0.0 110.191 177.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.43 130.08 10.15 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.998 -178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CE1' HD12 ' A' ' 18' ' ' ILE . 97.2 m-85 -116.49 117.3 29.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.159 0.504 . . . . 0.0 111.192 -178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.8 mt -94.71 106.53 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.922 177.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD11 HD23 ' A' ' 123' ' ' LEU . 28.1 mt -86.96 105.39 17.08 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.5 p -113.34 131.17 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.321 0.582 . . . . 0.0 110.403 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 30.7 p90 -138.28 175.97 9.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.871 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.1 t -115.78 145.64 42.64 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.808 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.622 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -85.05 0.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.283 -174.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 132' ' ' LEU . 0.6 OUTLIER -97.42 -61.26 1.42 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.357 176.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -70.33 103.89 2.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.432 0.634 . . . . 0.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.9 -28.49 68.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.565 -170.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -58.03 -34.97 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.974 0.416 . . . . 0.0 110.619 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.3 m -64.6 -27.62 69.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.069 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -75.88 -34.94 60.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.393 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -73.87 -32.98 63.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.181 0.515 . . . . 0.0 110.609 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.61 -15.9 63.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.151 -177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.4 p -57.85 -43.2 85.73 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.996 0.427 . . . . 0.0 111.341 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.65 -33.6 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.65 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.02 -40.89 82.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.387 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.2 m-85 -58.4 -45.69 87.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.05 0.452 . . . . 0.0 110.049 177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -54.98 -52.97 61.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.18 -176.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.62 -31.61 71.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.39 -176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.84 -39.36 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.024 0.44 . . . . 0.0 110.471 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -64.89 -47.8 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.375 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -69.95 -26.34 64.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.178 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 113' ' ' ARG . 23.5 ttt180 -62.91 -36.4 83.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.534 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.5 m -93.96 3.17 8.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.755 0.312 . . . . 0.0 111.214 -177.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.536 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 49.9 mttm -128.24 -90.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.63 -57.73 0.44 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.979 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -110.94 75.89 0.95 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.684 0.754 . . . . 0.0 112.145 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.536 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 9.9 pt-20 -143.13 -164.82 1.93 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.252 172.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -67.01 -80.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 117.775 0.261 . . . . 0.0 111.145 -172.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.931 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.8 mmmt -141.96 149.96 40.77 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 20.5 mt -119.52 93.21 47.11 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.786 0.326 . . . . 0.0 110.292 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.538 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 72.4 Cg_endo -84.38 121.24 2.61 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 123.211 2.607 . . . . 0.0 113.095 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.562 HD23 HD11 ' A' ' 91' ' ' LEU . 6.7 mp -116.27 157.91 24.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.669 176.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 125' ' ' VAL . 5.2 tt -147.76 132.09 17.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.48 HG23 HG21 ' A' ' 152' ' ' VAL . 17.8 t -98.11 121.34 48.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.239 0.543 . . . . 0.0 110.943 -176.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.8 t -109.92 124.13 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.568 -176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.76 103.73 2.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.676 177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 59.8 t30 -98.08 170.08 9.17 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 -178.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 69.85 18.61 7.32 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.588 0.555 . . . . 0.0 110.773 -174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.6 t -61.16 -13.52 18.4 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.358 0.599 . . . . 0.0 110.06 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 158' ' ' SER . 1.6 m-20 -63.84 -19.18 64.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.938 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' CG2' ' A' ' 96' ' ' THR . 29.9 mt -72.47 -55.19 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.493 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 65.75 -73.54 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.778 0.674 . . . . 0.0 112.203 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -70.55 -28.76 65.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.784 0.326 . . . . 0.0 111.421 -175.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 44.9 mtp180 -86.22 4.5 38.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.311 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 136' ' ' ARG . 39.9 ttp180 -58.35 113.58 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.565 -178.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -95.96 -22.78 17.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.281 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.06 117.16 52.41 Favored Pre-proline 0 C--N 1.322 -0.598 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.178 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.17 126.2 21.72 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.717 2.278 . . . . 0.0 112.368 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -59.82 -24.78 30.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.616 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.579 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -72.68 -43.91 62.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.514 0.673 . . . . 0.0 110.184 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -56.34 -46.92 79.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.878 -1.055 . . . . 0.0 111.954 -178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 12.7 mtp85 -71.71 -32.2 67.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 0.0 110.54 -179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.2 t -65.47 -35.81 82.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.326 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 30.2 mmtp -68.11 -33.89 75.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.627 0.251 . . . . 0.0 111.147 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.93 -44.6 96.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 110.092 175.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -64.99 -32.71 74.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.241 176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -66.94 -45.99 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.27 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.2 m0 -84.39 -26.19 28.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.15 -175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.47 36.18 3.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.985 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.48 HG21 HG23 ' A' ' 125' ' ' VAL . 29.3 m -129.77 -178.96 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 CA-C-O 120.617 0.246 . . . . 0.0 110.51 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -107.81 141.7 38.99 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 120.426 -0.51 . . . . 0.0 111.13 174.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 92.5 t80 -104.16 119.88 39.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.463 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.71 131.15 65.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.707 -176.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -85.7 115.77 23.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.884 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.553 ' HA ' ' O ' ' A' ' 163' ' ' ALA . 31.9 p -115.51 129.74 56.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.389 0.614 . . . . 0.0 111.715 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.429 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 11.4 m -112.2 111.25 22.0 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.943 173.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.839 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -84.02 -7.87 59.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -171.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -92.85 -4.0 53.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.962 0.411 . . . . 0.0 110.943 -178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.1 t -144.25 -1.37 0.94 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.084 0.469 . . . . 0.0 110.311 -178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 59.36 84.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' A' ' 157' ' ' THR . . . -120.36 107.81 13.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.174 176.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 64.64 17.88 11.13 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.735 0.647 . . . . 0.0 111.858 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.434 HG13 HD22 ' A' ' 30' ' ' LEU . 91.8 t -62.55 -52.12 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -74.83 -19.96 59.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.786 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 61.9 tttp -60.18 -47.73 84.7 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.276 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -60.07 -29.63 44.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -75.52 -54.17 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.863 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -65.52 -38.71 90.44 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 111.368 -178.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.8 OUTLIER -63.66 -51.05 66.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.467 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -67.38 -29.86 69.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.233 179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.421 ' SD ' HD11 ' A' ' 57' ' ' LEU . 20.2 ttm -64.77 -33.97 77.23 Favored 'General case' 0 N--CA 1.437 -1.097 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.445 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -67.12 -44.78 79.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.6 mt-10 -62.63 -31.81 72.73 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 172' ' ' LEU . 74.6 mt -59.09 -30.72 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.535 0.207 . . . . 0.0 110.986 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -64.2 -42.66 96.52 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 9.6 m -66.95 -35.43 79.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.305 176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.931 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.4 mptt -68.08 -31.79 71.66 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.404 179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 63.5 mmtt -72.05 -34.06 68.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.063 0.458 . . . . 0.0 110.056 174.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.1 mtm -85.84 -1.76 57.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.37 -176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.1 m 65.8 -168.76 0.21 Allowed 'General case' 0 CA--C 1.533 0.326 0 O-C-N 123.558 0.536 . . . . 0.0 110.921 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -56.42 -40.81 75.34 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.867 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 62.71 17.49 9.84 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.899 0.857 . . . . 0.0 109.693 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.856 -175.861 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.671 ' HB2' ' HB2' ' B' ' 396' ' ' ALA . 14.8 p -157.79 -79.35 0.07 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.658 0.229 . . . . 0.0 110.912 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 54.67 -95.39 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.191 0.596 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 20.6 m -75.72 -35.8 60.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.069 0.461 . . . . 0.0 109.929 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -64.99 -27.13 68.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.608 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.671 ' HB2' ' HB2' ' B' ' 392' ' ' SER . . . -57.82 -53.25 60.37 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.309 178.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.45 96.41 Favored Glycine 0 N--CA 1.449 -0.433 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.038 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.573 ' O ' HG13 ' B' ' 402' ' ' ILE . 46.5 mm -60.42 -52.64 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.367 0.127 . . . . 0.0 110.953 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -58.89 -42.64 90.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.65 0.262 . . . . 0.0 111.536 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.1 mm-40 -66.44 -39.99 89.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.599 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.573 ' HB3' HD21 ' B' ' 439' ' ' LEU . 1.8 tp10 -67.7 -35.04 78.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.059 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.573 HG13 ' O ' ' B' ' 398' ' ' ILE . 79.2 mt -61.74 -52.41 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.427 HH21 ' CD ' ' B' ' 400' ' ' GLU . 62.0 mtm180 -61.77 -29.96 70.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.669 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' B' ' 401' ' ' GLU . 73.2 ttt180 -63.45 -49.77 72.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.643 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' B' ' 436' ' ' LEU . 13.3 mm100 -71.89 -33.82 68.64 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.957 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.83 -44.7 93.93 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.71 -48.09 80.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.17 177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.715 ' HB2' HG21 ' B' ' 432' ' ' VAL . 44.2 mt -59.83 -51.39 69.94 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.51 HD23 ' HB1' ' A' ' 48' ' ' ALA . 21.2 tp -62.67 -46.72 86.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.516 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -56.92 -48.72 77.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.421 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.44 -54.53 45.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 65.9 mt -55.19 -38.92 69.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.593 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.89 -44.09 91.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.03 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -77.18 -44.63 29.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.643 0.259 . . . . 0.0 111.326 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.09 -47.37 83.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.554 -177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.691 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 42.9 mt -71.04 -26.22 63.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.322 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -64.5 -19.14 65.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.115 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -81.28 -0.17 88.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.462 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.54 -15.39 53.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.975 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 39.1 mt -86.22 124.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.595 ' HA ' HD22 ' B' ' 416' ' ' LEU . 24.4 pttm -148.01 152.59 37.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.046 0.451 . . . . 0.0 110.305 177.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.504 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.2 t70 -148.37 162.01 40.42 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.411 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.5 mp -65.37 -28.03 68.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.907 0.384 . . . . 0.0 110.829 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 18.5 p -63.5 -35.63 81.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.137 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.504 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.2 mmtt -73.31 -47.89 38.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.558 -176.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.511 ' OE2' ' HG3' ' A' ' 84' ' ' ARG . 31.1 mt-10 -60.83 -47.42 86.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.281 -174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -71.33 -34.79 70.87 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.502 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.8 tpt180 -64.96 -36.99 86.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.907 177.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.601 HD11 HD12 ' B' ' 416' ' ' LEU . 15.9 mt -56.54 -57.73 11.07 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.923 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.577 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 36.2 m95 -64.55 -31.55 72.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.001 -178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.514 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 38.1 tt0 -67.29 -56.33 10.22 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' B' ' 408' ' ' LEU . 9.9 p -63.78 -32.89 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.314 0.578 . . . . 0.0 109.678 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 24.3 tp60 -56.45 -57.74 10.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.806 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.577 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -63.36 -27.96 69.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.278 -176.459 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.9 mt -70.6 -49.77 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.441 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.573 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 33.0 tp -58.27 -39.53 79.46 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 12.1 t -71.47 -42.53 68.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.992 0.425 . . . . 0.0 110.647 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.26 -34.5 78.15 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.379 0.609 . . . . 0.0 109.634 176.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' B' ' 401' ' ' GLU . 21.9 tp -69.24 -32.57 71.88 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.03 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 34.7 mmtp -60.75 -37.02 80.39 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.432 0.634 . . . . 0.0 109.575 171.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 4.6 tmt_? -63.78 -40.61 97.09 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.688 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 20.2 mtpp -64.67 -27.67 69.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.957 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.412 ' HB2' HD11 ' B' ' 402' ' ' ILE . 40.8 tp -65.46 -44.7 86.39 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -83.71 -1.67 54.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.046 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.688 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 31.2 tt0 -85.81 -54.27 4.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.884 -177.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.398 -0.811 . . . . 0.0 110.933 -176.641 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.839 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 112.019 -0.433 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -133.34 -168.68 2.14 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 m -65.19 157.66 28.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 171.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -62.61 95.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.92 -27.2 33.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.206 -176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.587 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -83.56 18.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.138 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' O ' ' HE3' ' A' ' 180' ' ' LYS . 62.6 tp -130.78 129.57 42.61 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -137.76 148.92 46.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.569 0.223 . . . . 0.0 110.837 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -118.94 119.55 34.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.005 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.4 t -125.09 123.78 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.974 0.416 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD12 ' CE1' ' A' ' 89' ' ' PHE . 66.4 mt -109.51 129.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.7 mmm -87.31 101.54 13.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.802 177.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.68 139.41 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.108 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.66 146.4 8.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.202 -0.523 . . . . 0.0 111.917 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 7.7 t -80.53 94.02 6.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 95.53 -72.08 0.94 Allowed Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -178.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.56 105.72 0.33 Allowed Glycine 0 N--CA 1.437 -1.259 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.086 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 93' ' ' PHE . 60.4 t -74.56 -75.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.889 0.375 . . . . 0.0 110.298 173.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.69 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . -158.48 33.34 0.5 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.948 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 17.0 pttp -79.29 -8.81 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.5 m -79.06 -29.58 43.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.087 0.47 . . . . 0.0 110.26 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.07 68.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.038 -176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.83 -45.91 88.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.427 -174.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.455 HG21 HG21 ' A' ' 66' ' ' ILE . 36.2 p -76.52 -39.23 53.57 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.496 -0.482 . . . . 0.0 111.469 -175.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 40' ' ' VAL . 21.9 tp -55.24 -41.05 71.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.731 0.3 . . . . 0.0 110.843 176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -69.75 -30.81 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.677 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -72.3 -49.18 36.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.182 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.638 ' SD ' HD12 ' A' ' 66' ' ' ILE . 3.8 mpp? -70.4 -45.98 64.9 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 96.9 m-85 -96.46 -88.85 0.27 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.648 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 34.6 t70 168.6 -30.43 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.077 0.465 . . . . 0.0 111.27 -178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.56 150.51 20.56 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.211 0.529 . . . . 0.0 111.498 -171.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -76.1 138.76 40.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.415 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' HB ' HD23 ' A' ' 32' ' ' LEU . 7.1 p -67.18 119.68 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.513 0.673 . . . . 0.0 111.509 -178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -94.01 -48.43 6.25 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.145 175.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -145.76 136.0 23.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.162 171.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -171.26 91.34 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 15.2 mm-40 -66.66 -56.88 13.32 Favored Pre-proline 0 C--N 1.321 -0.659 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -167.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 51.2 Cg_exo -51.59 -93.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 122.771 2.314 . . . . 0.0 114.664 -168.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.742 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 18.0 p 48.84 34.32 5.23 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -86.36 -47.43 9.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.353 0.597 . . . . 0.0 109.415 171.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.5 12.88 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.742 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.3 m-20 -73.33 93.75 1.95 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.923 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 18.9 m -108.87 174.51 5.84 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.51 -0.768 . . . . 0.0 108.94 176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' A' ' 35' ' ' MET . 13.0 t80 -156.1 140.05 16.3 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -99.78 112.42 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.632 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 58.6 tptt -109.84 140.6 43.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.308 -174.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 9.0 ttmt -109.55 127.59 54.59 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG13 ' HG3' ' A' ' 53' ' ' LYS . 19.1 m -139.43 149.25 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.449 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.6 p -120.27 138.77 49.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.09 -0.644 . . . . 0.0 111.075 178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 44.1 mt -139.23 124.25 18.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.109 -0.95 . . . . 0.0 108.555 169.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 6.5 t70 83.12 -49.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.169 0.918 . . . . 0.0 112.9 175.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.66 -71.61 0.02 OUTLIER Glycine 0 C--N 1.33 0.245 0 C-N-CA 118.874 -1.631 . . . . 0.0 114.841 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.7 pt-20 -92.55 139.48 30.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.82 0.31 . . . . 0.0 110.908 -170.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 50.9 mt-10 -71.21 124.45 24.52 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.439 179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -106.6 140.77 23.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.204 -173.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -113.1 124.08 51.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.201 0.524 . . . . 0.0 109.964 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.56 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.6 tt -123.54 129.72 74.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.34 -175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -95.74 117.63 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.638 HD12 ' SD ' ' A' ' 35' ' ' MET . 30.1 mt -107.74 131.32 58.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.669 0.271 . . . . 0.0 110.809 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.3 tp -117.4 121.18 40.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.217 -179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 35.2 t0 -99.35 108.14 20.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.9 p -82.65 142.43 31.72 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.4 113.8 14.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.058 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.526 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -83.38 71.37 3.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.514 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.491 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -139.13 171.41 14.34 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.828 0.347 . . . . 0.0 110.813 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.0 5.15 47.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.725 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.491 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.2 m-20 -86.17 -82.88 0.19 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.439 0.638 . . . . 0.0 111.062 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.4 m-85 -78.63 78.78 5.07 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.325 -174.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.12 -16.81 63.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.087 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.915 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -70.18 -13.19 62.08 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.01 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.563 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 68.6 mt -99.31 -37.49 6.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.875 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' NH2' ' HG2' ' A' ' 110' ' ' GLN . 4.0 ttp180 -87.15 -68.01 0.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.179 -0.608 . . . . 0.0 111.135 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.32 -42.57 30.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.702 -172.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.915 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.0 m-20 -70.41 -17.66 63.02 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -172.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 6.2 m-85 -87.74 -20.64 25.91 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -63.16 -26.65 68.91 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -57.31 -66.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.3 t -75.93 25.93 0.12 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.99 144.4 17.25 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.165 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.557 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 59.9 mt-10 -101.8 -70.43 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.13 143.08 15.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.027 -177.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CE1' HD12 ' A' ' 18' ' ' ILE . 89.4 m-85 -126.02 127.44 45.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.407 . . . . 0.0 111.004 -176.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.4 mt -102.77 115.36 30.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.702 176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.453 HD12 HG22 ' A' ' 125' ' ' VAL . 83.8 mt -88.77 107.49 18.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG13 ' HB2' ' A' ' 128' ' ' ASN . 97.8 t -99.51 118.28 45.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.311 -174.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.68 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 10.4 p90 -144.95 154.15 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.075 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.6 p -100.56 147.28 26.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.566 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.657 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -86.99 6.22 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -177.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.599 HG23 HD22 ' A' ' 132' ' ' LEU . 17.4 p -86.46 -49.88 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.379 0.609 . . . . 0.0 109.438 171.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -85.59 102.97 14.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.144 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -68.5 -18.78 64.46 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.533 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 99' ' ' GLU . 5.6 tp10 -65.37 -28.75 69.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 0.0 110.484 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.68 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 42.3 m -67.4 -22.46 65.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.177 0.513 . . . . 0.0 110.298 176.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.3 t80 -78.65 -24.93 44.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.174 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -39.51 29.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.337 0.589 . . . . 0.0 109.845 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.66 69.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.844 -176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.646 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 1.2 p -63.58 -28.78 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.754 0.312 . . . . 0.0 111.471 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.22 85.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.458 176.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -62.93 -44.98 94.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.98 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 7.4 m-85 -58.93 -50.98 71.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.082 0.468 . . . . 0.0 109.968 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -57.14 -46.02 83.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.432 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.04 -33.92 74.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.731 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.438 ' HG2' ' NH2' ' A' ' 79' ' ' ARG . 5.7 tp-100 -67.66 -36.2 80.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 107' ' ' PHE . 84.4 mt -64.08 -45.24 97.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.181 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.21 -19.05 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 111.137 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -76.3 -38.49 56.0 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.745 0.307 . . . . 0.0 110.602 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 115' ' ' LYS . 29.5 m -93.18 -4.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.784 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.8 mttm -130.98 -69.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.997 0.427 . . . . 0.0 111.444 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 59.59 79.01 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.816 -177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 48.77 41.13 17.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.039 -0.982 . . . . 0.0 113.386 171.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -68.7 -45.18 72.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.679 0.275 . . . . 0.0 110.682 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.03 -90.35 0.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 172.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.597 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 37.5 mmtm -151.94 125.54 8.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 14.4 mt -112.09 97.86 40.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.417 -174.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.557 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 93.2 Cg_endo -86.91 116.74 1.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.745 2.297 . . . . 0.0 112.523 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.597 ' HB2' HG11 ' A' ' 152' ' ' VAL . 7.2 mp -111.73 150.61 29.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.175 177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.763 HD13 ' HG3' ' A' ' 153' ' ' GLN . 1.0 OUTLIER -136.86 113.54 10.26 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 173.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.453 HG22 HD12 ' A' ' 91' ' ' LEU . 20.7 t -81.11 118.65 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.275 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.8 t -102.14 109.89 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.402 -173.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.4 91.7 0.65 Allowed Glycine 0 N--CA 1.443 -0.9 0 N-CA-C 110.023 -1.231 . . . . 0.0 110.023 173.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.494 ' HB2' HG13 ' A' ' 92' ' ' VAL . 3.8 t-20 -89.24 142.95 27.21 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 132' ' ' LEU . 23.7 tptm 68.28 67.41 0.33 Allowed 'General case' 0 C--O 1.221 -0.431 0 O-C-N 123.909 0.755 . . . . 0.0 109.73 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.3 m -101.69 8.05 41.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.793 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -83.33 14.99 3.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.548 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.4 OUTLIER -95.61 -56.53 2.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.975 176.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 132' ' ' LEU . 12.7 tt0 62.12 -66.4 0.08 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.252 1.021 . . . . 0.0 112.87 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.65 -14.31 50.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.929 0.395 . . . . 0.0 112.016 -175.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 135' ' ' ARG . 5.0 mpt_? -110.76 21.26 16.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.996 0.427 . . . . 0.0 110.45 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -72.57 114.5 10.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -114.03 -3.36 13.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 111.157 178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 95' ' ' ILE . 83.1 t -108.44 108.1 60.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.93 122.08 11.02 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.211 1.941 . . . . 0.0 111.008 174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.4 t -58.98 -21.82 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.083 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -56.43 -55.14 37.27 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.51 -33.63 60.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -57.54 -48.66 78.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.165 0.507 . . . . 0.0 111.014 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -69.59 -39.74 77.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.076 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 20.6 t -55.36 -35.97 65.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.661 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.6 mmtt -68.31 -34.34 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.422 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -64.29 -43.92 93.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.075 0.464 . . . . 0.0 110.358 176.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -69.94 -29.85 67.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.304 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.03 -40.22 94.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.499 177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -95.89 2.89 53.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 69.11 34.02 75.15 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.65 178.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.597 HG11 ' HB2' ' A' ' 123' ' ' LEU . 34.0 m -120.53 -167.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.763 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.6 pt20 -116.35 162.04 18.12 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.319 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 82.1 t80 -132.18 119.03 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.705 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.91 132.58 67.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.011 -179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -85.95 146.17 26.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.417 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -133.21 130.3 38.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.158 0.504 . . . . 0.0 111.362 -177.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.412 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 21.9 m -116.59 95.08 4.88 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 173.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.423 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -67.51 -22.56 65.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.486 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 26.2 tptp -64.19 -14.03 52.54 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.428 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 t -144.03 10.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.466 0.651 . . . . 0.0 109.919 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 53.76 61.15 3.23 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.41 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -106.63 114.67 28.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.567 177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 66.86 12.8 9.13 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 123.88 0.738 . . . . 0.0 112.015 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 84.0 t -65.92 -45.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.371 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.81 -33.66 62.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.638 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -62.17 -51.04 69.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.283 -174.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.86 -31.77 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.453 ' CZ ' HG22 ' A' ' 31' ' ' THR . 93.8 m-85 -75.29 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.653 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -60.56 -37.44 81.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.396 -175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -51.11 69.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.536 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.4 tp -67.34 -36.14 80.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.24 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.56 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.1 mtp -61.27 -31.76 71.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.344 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.74 -41.72 74.9 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.818 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 25.1 mt-10 -59.17 -39.54 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.481 177.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 57.7 mt -58.1 -29.23 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.456 -177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 34.3 mtm180 -61.54 -49.29 77.27 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.031 0.443 . . . . 0.0 110.34 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.3 m -63.0 -36.58 84.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.669 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.597 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 14.4 mptt -61.58 -42.87 99.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.522 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 14' ' ' LEU . 68.9 mttm -69.24 -36.02 76.73 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.018 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.0 mtt -70.93 -22.27 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.236 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 5.7 t 65.8 -165.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.204 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.673 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 8.3 tp10 -157.28 142.07 16.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.635 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -158.34 9.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.19 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.673 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 25.2 pttm . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.462 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 49.2 m 59.51 32.46 21.69 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 111.273 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.74 -49.02 67.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.49 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.489 ' O ' HG12 ' B' ' 398' ' ' ILE . 74.2 m -74.73 -28.36 60.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.944 177.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.32 -27.1 67.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.16 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.92 40.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.11 0.481 . . . . 0.0 110.84 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.18 -35.78 91.38 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.022 178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.49 ' O ' HG13 ' B' ' 402' ' ' ILE . 40.3 mm -57.04 -49.59 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.646 0.26 . . . . 0.0 110.681 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.2 -42.36 86.01 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -63.94 -46.5 84.45 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.46 -44.49 96.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.399 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.714 HG12 ' HB3' ' B' ' 439' ' ' LEU . 91.8 mt -53.66 -54.76 17.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 C-N-CA 121.326 -0.15 . . . . 0.0 111.061 178.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -65.02 -30.21 71.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.007 0.432 . . . . 0.0 111.093 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 61.9 ttt180 -62.27 -47.83 82.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.924 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.512 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.1 mm-40 -76.47 -31.45 57.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.026 -177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 61.9 mt-10 -59.98 -42.17 93.6 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -63.77 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.571 ' HB2' HG21 ' B' ' 432' ' ' VAL . 38.4 mt -62.87 -52.41 63.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.013 -179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.435 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -60.61 -41.28 94.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.424 0.63 . . . . 0.0 109.968 177.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -55.69 -46.92 77.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.67 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.8 t -60.46 -55.43 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.723 -0.217 . . . . 0.0 110.429 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.0 mm? -54.59 -40.08 68.47 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 120.933 0.397 . . . . 0.0 111.022 178.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -63.66 -40.16 96.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.157 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.456 ' HA ' HE21 ' B' ' 417' ' ' GLN . 92.0 mtt180 -75.64 -46.97 28.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.741 0.305 . . . . 0.0 111.133 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.23 -47.17 85.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.574 -177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' ' 425' ' ' LYS . 7.0 mp -65.4 -27.09 68.3 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' B' ' 414' ' ' ARG . 40.9 mt-30 -61.86 -19.74 62.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.333 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.41 2.17 78.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.686 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.98 28.04 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.027 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 46.7 mt -95.42 116.33 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -128.16 143.08 51.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.777 0.799 . . . . 0.0 112.097 -178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.446 ' H ' ' CG ' ' B' ' 425' ' ' LYS . 14.3 t70 -150.11 171.44 16.88 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 171.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 7.6 mp -71.74 -29.68 64.78 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 171.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 14.0 m -65.29 -38.25 89.65 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.022 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.677 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -64.46 -38.39 90.86 Favored 'General case' 0 C--N 1.342 0.239 0 C-N-CA 120.233 -0.587 . . . . 0.0 112.105 -172.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.677 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 pt-20 -73.89 -37.13 64.78 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.6 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 52.4 mt-10 -62.52 -42.23 99.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.711 ' O ' HG12 ' B' ' 432' ' ' VAL . 37.7 mmt180 -61.05 -50.91 71.42 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.016 174.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.615 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 13.7 mt -56.31 -57.01 14.06 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.172 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.669 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 70.9 m95 -60.63 -35.47 76.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.376 0.423 . . . . 0.0 111.257 -176.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 6.6 tp10 -72.81 -55.81 6.15 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.449 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.711 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.3 p -62.29 -33.03 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.162 0.506 . . . . 0.0 110.273 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -55.12 -54.6 41.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.481 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.669 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.32 -27.5 63.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -177.063 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' B' ' 432' ' ' VAL . 68.6 mt -67.44 -48.22 78.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.954 0.407 . . . . 0.0 109.974 175.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD21 ' HG2' ' B' ' 406' ' ' GLU . 32.0 tp -59.35 -43.56 92.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.744 -178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.456 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.7 t -67.2 -34.35 77.3 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.867 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.92 -41.59 95.42 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.714 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.8 mp -63.04 -40.31 97.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.627 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -58.36 -43.18 88.28 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 109.912 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -64.89 -43.43 92.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.819 176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 13.9 mmmm -58.37 -33.87 70.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.496 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.6 ' HB2' HD11 ' B' ' 402' ' ' ILE . 45.8 tp -68.54 -37.57 80.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 0.0 110.326 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -82.8 -3.94 57.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.428 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.42 -42.56 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.459 -0.781 . . . . 0.0 111.056 -177.123 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.69 ' O2A' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -111.9 105.96 14.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.914 0.387 . . . . 0.0 110.555 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 t -160.99 -72.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.99 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -121.46 -14.13 8.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.361 0.601 . . . . 0.0 110.724 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt 63.67 21.66 12.79 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.75 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.44 17.15 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 111.305 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.794 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 38.9 tp -124.28 115.49 21.12 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.605 176.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -123.87 132.66 53.79 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.916 -174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.794 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -100.3 115.31 29.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.26 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 64' ' ' ILE . 89.7 t -109.43 114.15 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.986 0.422 . . . . 0.0 110.968 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.8 mt -109.01 124.97 66.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.4 mtt -87.9 106.8 18.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.947 0.403 . . . . 0.0 110.401 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 HD22 ' A' ' 91' ' ' LEU . 15.2 m -95.84 127.73 47.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.63 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 171.99 -28.25 0.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.996 -177.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.562 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 5.7 m 77.78 -63.02 0.35 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.843 0.457 . . . . 0.0 110.644 176.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.14 147.67 48.83 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.19 65.39 4.08 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 120.184 -1.008 . . . . 0.0 111.236 -177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 t -71.58 65.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.986 0.898 . . . . 0.0 110.854 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' HA2' " O3'" ' A' ' 500' ' ' GNP . . . 71.5 7.61 64.85 Favored Glycine 0 C--N 1.319 -0.367 0 CA-C-N 114.583 -1.189 . . . . 0.0 113.234 174.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' A' ' 68' ' ' ASP . 12.9 ptmm? -57.7 -37.82 74.14 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' HD13 ' A' ' 32' ' ' LEU . 29.3 m -60.9 -42.76 98.65 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.97 -43.5 62.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.998 177.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 26' ' ' GLY . 90.5 mt -58.4 -46.42 86.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.21 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.463 HG22 HG21 ' A' ' 66' ' ' ILE . 69.4 p -67.1 -40.34 86.87 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.94 -177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 ' HB ' ' A' ' 40' ' ' VAL . 10.1 mp -66.38 -33.74 76.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.285 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 76.2 mm-40 -57.77 -43.66 85.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.119 0.485 . . . . 0.0 110.698 175.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -75.11 -50.88 14.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.874 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 67.8 mtm -78.06 -43.21 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -170.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 5.3 m-85 -95.67 -18.03 20.83 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.375 -176.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.6 m-20 70.1 9.73 7.15 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.667 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.51 169.97 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.181 -177.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.94 149.74 26.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.467 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.683 ' HB ' HD22 ' A' ' 32' ' ' LEU . 3.6 p -74.05 102.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.495 0.664 . . . . 0.0 111.099 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -90.79 -45.27 8.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.486 176.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -145.61 96.03 2.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.182 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB3' HG23 ' A' ' 40' ' ' VAL . 48.7 t80 -164.63 92.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.009 178.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 42.0 mt-10 -76.29 -57.75 1.32 Allowed Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.229 -176.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 14.9 Cg_endo -55.28 109.57 0.43 Allowed 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 122.628 2.219 . . . . 0.0 113.347 -173.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.6 OUTLIER -151.29 48.49 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.759 173.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -87.11 -60.16 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 0.0 110.218 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.65 20.81 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.342 173.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.4 m-20 -75.38 83.37 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.645 -172.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' OG ' HD12 ' A' ' 67' ' ' LEU . 35.0 m -91.16 148.64 22.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.296 175.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 29.6 t80 -144.14 158.81 43.5 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 6.0 ptp180 -112.92 138.98 48.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.298 0.57 . . . . 0.0 111.203 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HG3' HG13 ' A' ' 55' ' ' VAL . 48.4 tptt -106.08 125.89 51.54 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.123 -178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -79.78 111.23 15.89 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.638 HG13 ' HG3' ' A' ' 53' ' ' LYS . 14.2 m -137.92 144.88 29.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 176.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.4 p -120.3 128.27 75.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-O 121.187 0.518 . . . . 0.0 109.681 173.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.6 OUTLIER -126.21 98.03 5.31 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.962 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.97 29.5 19.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.467 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -165.01 -122.09 0.59 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.361 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 pt-20 -109.4 168.88 9.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -58.76 120.97 9.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.13 0.49 . . . . 0.0 110.979 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.8 t -106.93 147.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.036 -177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -113.8 117.61 31.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.622 0.725 . . . . 0.0 110.29 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 HG21 ' A' ' 17' ' ' VAL . 6.5 tt -113.54 113.7 44.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.837 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 42.9 m-20 -90.44 126.36 35.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 -179.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 HG22 ' A' ' 31' ' ' THR . 30.4 mm -106.46 112.91 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD12 ' OG ' ' A' ' 50' ' ' SER . 61.2 tp -82.86 107.16 15.27 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.236 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' A' ' 27' ' ' LYS . 26.5 t70 -83.57 88.46 7.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.1 m -79.19 139.66 37.91 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.244 -173.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.18 135.38 33.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.865 173.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -129.69 91.54 0.31 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.838 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.676 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.1 pt? -151.91 -171.78 4.03 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -175.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -82.34 2.33 32.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.922 0.392 . . . . 0.0 111.369 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.676 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 7.4 m-20 -110.15 -75.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.396 0.617 . . . . 0.0 111.177 -178.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.466 ' HB2' HD21 ' A' ' 72' ' ' LEU . 98.5 m-85 -79.82 85.48 5.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.418 -174.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 79' ' ' ARG . . . -93.23 -26.25 17.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.634 176.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -66.92 -20.8 65.97 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 75' ' ' TYR . 10.2 mt -77.19 -30.15 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.564 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -92.76 -65.95 0.96 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.71 -0.396 . . . . 0.0 112.051 178.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.34 -46.92 81.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.149 0.499 . . . . 0.0 111.88 -170.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -77.97 -17.25 57.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.98 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.56 ' OH ' HD11 ' B' ' 409' ' ' LEU . 6.5 m-85 -87.32 -15.14 38.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 20' ' ' VAL . 19.7 m-85 -63.58 -16.66 61.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -177.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.8 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -65.46 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.638 -174.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.524 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.4 m -86.02 36.6 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -170.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -141.96 143.94 13.6 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.4 OUTLIER -109.67 -35.39 6.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 117.653 0.727 . . . . 0.0 111.79 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.23 115.23 3.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.413 -0.899 . . . . 0.0 112.421 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -117.56 112.65 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.138 0.494 . . . . 0.0 111.005 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 124' ' ' LEU . 77.7 mt -91.7 109.49 20.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.84 176.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.544 HD22 HG23 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -79.27 105.88 10.91 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.833 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 126' ' ' VAL . 19.1 m -113.73 132.19 63.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.224 0.535 . . . . 0.0 112.111 -174.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -152.04 163.28 39.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.692 175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 96' ' ' THR . 18.6 p -102.64 138.91 38.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.568 HG13 ' HE ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.8 15.78 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-O 121.351 0.596 . . . . 0.0 111.494 -176.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.627 HG21 ' CD1' ' A' ' 132' ' ' LEU . 15.3 p -122.97 5.93 9.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.378 176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -124.28 102.21 7.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.515 0.674 . . . . 0.0 109.492 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -65.67 -31.53 72.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.288 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.23 -44.69 83.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.95 -176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.1 p -64.83 -26.64 68.42 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.874 0.369 . . . . 0.0 110.613 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -68.89 -50.91 45.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.4 m -66.55 -28.22 68.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.383 0.611 . . . . 0.0 110.517 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.26 61.03 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.306 -177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.2 p -51.31 -46.74 62.64 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.966 0.412 . . . . 0.0 111.677 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.15 90.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.842 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.35 -41.94 84.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.445 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -58.09 -47.15 84.1 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.29 -44.11 83.77 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.627 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -65.15 -38.06 89.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.395 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -38.36 83.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.165 0.507 . . . . 0.0 109.945 176.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 107' ' ' PHE . 74.8 mt -64.05 -54.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.493 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -67.12 -17.99 65.11 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -66.59 -33.74 76.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.076 0.465 . . . . 0.0 110.755 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.721 HG23 ' HG2' ' A' ' 115' ' ' LYS . 32.9 m -111.02 3.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.244 0.545 . . . . 0.0 110.733 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.8 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 12.0 mmmm -136.16 -148.43 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.801 -174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 77.86 -0.36 2.71 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.179 0.992 . . . . 0.0 111.705 177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -111.83 12.78 20.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.101 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.673 ' OE1' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.85 -160.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 -175.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.6 -73.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.913 0.387 . . . . 0.0 110.341 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 16.2 tppt? -168.75 136.41 2.0 Allowed 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.463 HD11 ' HB3' ' A' ' 115' ' ' LYS . 85.2 mt -94.47 108.63 37.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.898 0.38 . . . . 0.0 111.217 -178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 73.1 Cg_endo -84.24 125.84 3.59 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 122.78 2.32 . . . . 0.0 111.601 173.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.1 144.77 38.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.071 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.802 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.6 tp -139.11 116.27 11.05 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 172.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.403 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.4 t -89.15 126.26 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.224 0.535 . . . . 0.0 110.53 -176.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.556 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -120.18 132.62 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.29 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.3 113.46 4.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.023 -0.608 . . . . 0.0 111.984 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 4.4 t-20 -96.21 164.26 12.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 12.8 mptt 74.13 25.75 1.76 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.764 0.665 . . . . 0.0 111.501 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.8 t -65.83 -9.07 25.55 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.409 0.623 . . . . 0.0 109.895 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -70.4 -15.12 62.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.042 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.857 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.2 mt -77.2 -45.7 25.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.811 -178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 63.86 -78.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.178 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -77.54 -17.45 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.137 0.494 . . . . 0.0 110.91 -174.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.857 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.7 mtp180 -87.34 -0.23 56.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.887 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.568 ' HE ' HG13 ' A' ' 95' ' ' ILE . 41.4 ttm180 -53.84 113.85 1.36 Allowed 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.539 ' H ' ' HA ' ' A' ' 96' ' ' THR . 30.1 mm-40 -91.24 -27.08 18.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.204 -176.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 4.9 p -114.13 122.47 34.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.98 177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.12 119.67 6.91 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.626 2.217 . . . . 0.0 111.246 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.09 -12.03 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.292 0.568 . . . . 0.0 109.893 -176.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -57.54 -46.51 83.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.478 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -82.76 -14.31 54.7 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.616 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -79.41 -34.36 41.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.218 178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.6 mtp180 -66.26 -35.94 81.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.983 176.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.7 m -58.41 -30.92 67.24 Favored 'General case' 0 N--CA 1.438 -1.053 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.863 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -65.32 -48.68 72.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.324 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.08 93.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.653 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.08 -37.26 86.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.94 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -45.89 70.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.06 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -77.01 -16.66 59.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.034 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 89.19 32.81 10.12 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.113 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.7 m -130.57 -179.05 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.595 0.236 . . . . 0.0 110.803 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.802 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.0 pm0 -103.07 163.2 12.36 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.949 0.404 . . . . 0.0 111.31 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -134.43 127.64 31.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.946 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 49.1 t -131.86 131.41 61.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.361 -177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -85.82 144.03 27.95 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.552 ' HB ' HG22 ' A' ' 165' ' ' VAL . 31.1 p -128.18 140.33 51.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.258 0.552 . . . . 0.0 112.147 -175.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.535 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 20.7 t -102.34 123.16 45.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.515 172.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.11 -1.77 47.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.685 0.278 . . . . 0.0 111.263 -177.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 160' ' ' LYS . 25.1 tptp -92.11 -22.5 19.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.014 0.435 . . . . 0.0 110.941 -178.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.6 t -130.37 1.01 4.58 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.456 0.646 . . . . 0.0 109.805 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 56.07 71.71 0.54 Allowed 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 114.792 -1.094 . . . . 0.0 111.053 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.535 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -116.88 129.39 56.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.929 178.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 71.17 -4.6 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.871 0.732 . . . . 0.0 111.912 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.552 HG22 ' HB ' ' A' ' 157' ' ' THR . 62.0 t -70.23 -43.61 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.123 -176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -71.29 -23.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.99 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 34.0 tttm -60.04 -56.43 21.79 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.962 -178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.405 HG11 HG22 ' A' ' 126' ' ' VAL . 34.9 m -60.45 -28.84 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -169.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.411 ' O ' ' HG3' ' A' ' 173' ' ' MET . 82.7 m-85 -70.09 -52.1 26.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.619 0.247 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -69.7 -34.97 74.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.198 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 31.1 t0 -60.46 -52.01 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.67 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.5 tp -69.62 -34.1 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.522 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.412 ' SD ' HD12 ' A' ' 64' ' ' ILE . 53.1 mtm -61.76 -31.54 71.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.353 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -70.98 -33.98 70.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.118 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.39 -38.71 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.552 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 172' ' ' LEU . 73.5 mt -55.17 -39.2 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.944 -175.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 177' ' ' ARG . 7.3 ptp180 -71.08 -39.65 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.533 -177.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 25.8 m -71.53 -33.65 69.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.45 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.44 -43.66 98.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.235 177.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 33.3 mmtp -73.7 -40.95 63.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.57 -177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.6 mtm -72.13 -28.57 63.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.07 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 14.9 t 62.7 -159.35 0.32 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.502 0.501 . . . . 0.0 109.989 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -86.43 -173.36 4.49 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 65.25 80.94 0.22 Allowed 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.495 0.664 . . . . 0.0 109.931 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 55.2 mttp . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.043 -178.258 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.483 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 8.6 t 76.69 5.82 3.41 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.311 0.645 . . . . 0.0 111.45 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -62.51 -42.78 99.74 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.027 0.441 . . . . 0.0 109.935 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.458 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.7 m -69.2 -38.0 78.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.393 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.06 -37.16 86.1 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.53 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.09 82.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.408 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.53 -39.95 95.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.908 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' B' ' 443' ' ' LEU . 38.4 mm -60.86 -50.61 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.797 0.332 . . . . 0.0 110.888 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 402' ' ' ILE . 96.2 mttt -60.49 -34.66 74.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -65.95 -38.25 88.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.511 0.196 . . . . 0.0 111.086 175.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.53 ' HB2' HD11 ' B' ' 439' ' ' LEU . 58.7 mt-10 -68.3 -38.82 82.0 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.245 176.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.657 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.95 -50.37 53.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.527 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 21.9 mmm180 -56.35 -42.34 77.62 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.962 177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 34.3 ttm180 -59.83 -47.89 83.89 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.107 178.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.603 ' HB2' HD23 ' B' ' 436' ' ' LEU . 69.0 mm-40 -71.32 -28.98 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.27 -177.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 46.5 mt-10 -59.95 -45.17 93.5 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 172.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -68.31 -46.07 71.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 81.1 mt -60.15 -47.28 86.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.56 HD11 ' OH ' ' A' ' 82' ' ' TYR . 43.1 tp -69.42 -32.6 71.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.012 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -62.74 -47.61 82.83 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.9 t -59.41 -51.85 68.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' B' ' 429' ' ' LEU . 1.9 mm? -54.05 -46.45 71.92 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.347 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -57.87 -49.06 77.98 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.135 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -69.68 -38.0 76.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.2 -48.39 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.963 0.411 . . . . 0.0 110.679 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.672 HD11 ' HB3' ' B' ' 425' ' ' LYS . 7.0 mp -68.81 -32.92 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.062 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.549 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 2.8 mt-30 -69.34 -9.69 54.5 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.051 0.453 . . . . 0.0 111.012 176.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.5 -9.17 86.77 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 173.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.25 28.14 5.61 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.129 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.489 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 53.2 mt -132.52 127.8 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.912 0.356 . . . . 0.0 110.091 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -133.37 152.42 51.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.445 0.641 . . . . 0.0 111.367 175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.622 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 21.7 t70 -149.86 161.54 42.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.318 171.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.5 mp -61.4 -32.14 72.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.716 0.293 . . . . 0.0 111.254 -177.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.63 -33.02 74.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.252 0.549 . . . . 0.0 110.003 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.672 ' HB3' HD11 ' B' ' 416' ' ' LEU . 47.1 mmtt -72.69 -45.44 58.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.927 -176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -63.56 -43.99 95.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.385 -177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -63.55 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 175.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.662 ' O ' HG23 ' B' ' 432' ' ' VAL . 24.9 tpt180 -70.85 -37.1 73.11 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.578 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 7.6 mt -59.39 -44.74 92.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.544 0.212 . . . . 0.0 111.396 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.695 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 37.3 m95 -69.34 -32.63 71.84 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.52 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 10.0 tp10 -61.84 -55.85 25.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.92 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -61.92 -34.65 63.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 CA-C-O 121.31 0.576 . . . . 0.0 109.625 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.468 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 25.8 tp60 -55.46 -51.2 67.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.99 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.73 -25.78 62.21 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.144 -178.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' B' ' 432' ' ' VAL . 30.3 mt -75.12 -43.95 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.564 177.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.603 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.42 -41.08 79.68 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.112 174.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.612 HG22 ' HA ' ' B' ' 434' ' ' ARG . 6.2 t -77.41 -32.85 55.0 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.596 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.678 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.22 -36.31 83.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.926 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -64.02 -35.53 81.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.927 176.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -60.2 -37.24 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.256 0.551 . . . . 0.0 109.549 174.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.83 -43.04 69.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.349 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.926 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.3 mtpt -58.72 -33.34 70.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.788 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.522 ' HA ' HG21 ' B' ' 398' ' ' ILE . 3.0 tm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.014 178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -74.1 -22.91 59.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 0.0 110.652 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -73.32 -33.33 65.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.622 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.647 -179.039 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.444 " O3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.924 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -63.32 -25.09 68.15 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.112 0.482 . . . . 0.0 111.248 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -149.75 -157.71 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.8 t -66.16 85.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.234 0.54 . . . . 0.0 109.9 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt -141.36 -21.28 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.595 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.625 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -94.97 3.39 55.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.341 0.591 . . . . 0.0 111.606 -172.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -129.54 129.53 44.6 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.308 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -132.22 140.58 48.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.637 0.256 . . . . 0.0 110.757 -177.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -119.16 107.58 13.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 64' ' ' ILE . 30.4 m -115.54 119.81 62.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.701 0.762 . . . . 0.0 110.669 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.9 mt -112.65 113.39 43.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.235 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.617 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.3 ttm -84.74 108.62 17.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.354 177.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.96 170.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.571 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.501 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 150.46 166.06 13.21 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -85.15 114.34 22.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.175 0.512 . . . . 0.0 110.27 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.456 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 78.22 -81.16 1.33 Allowed Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.796 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -151.73 -54.81 0.01 OUTLIER Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.345 177.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG11 ' HA ' ' A' ' 93' ' ' PHE . 15.1 t 56.77 57.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.566 0.698 . . . . 0.0 110.166 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.66 11.66 65.95 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 113.284 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.796 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 18.0 ttmm -53.77 -62.91 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.846 0.458 . . . . 0.0 112.132 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.465 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 15.2 m -73.26 -14.85 61.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.412 -172.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.64 -45.25 59.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.239 175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.5 -40.36 64.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.31 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 10.9 p -63.23 -39.48 94.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.791 0.329 . . . . 0.0 111.72 -177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.67 -35.18 80.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.907 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.839 HE22 ' HA ' ' A' ' 39' ' ' PHE . 74.6 mm-40 -64.62 -42.97 95.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.01 0.434 . . . . 0.0 110.637 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -68.41 -27.76 66.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.867 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 78.0 mtp -87.2 -60.94 1.84 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.911 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 94.1 m-85 -110.08 -12.54 14.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 32.3 t70 73.28 2.23 4.26 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.277 0.56 . . . . 0.0 111.502 177.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.29 145.88 26.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.981 0.42 . . . . 0.0 110.865 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.839 ' HA ' HE22 ' A' ' 33' ' ' GLN . 71.5 t80 -78.25 148.98 33.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.085 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.5 t -70.23 104.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 111.842 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -89.24 -56.38 3.29 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.31 94.59 2.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.014 177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -155.81 97.89 1.87 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.207 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.733 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.4 tp10 -116.42 -49.69 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -173.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 27.2 Cg_endo -61.17 93.14 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.047 1.831 . . . . 0.0 114.173 -173.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.7 p -138.75 72.72 1.41 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.259 0.552 . . . . 0.0 109.594 170.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -88.31 -59.26 2.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.497 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HB1' ' CE1' ' B' ' 413' ' ' HIS . . . -125.79 -14.66 6.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -169.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -84.72 159.34 20.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.024 0.44 . . . . 0.0 111.076 -172.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 t -132.38 147.83 52.4 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -126.62 152.72 46.29 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.485 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.781 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 37.5 ttm180 -120.01 132.74 55.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.111 0.482 . . . . 0.0 110.866 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -110.64 129.54 55.79 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.422 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -97.63 121.27 39.34 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.621 -0.432 . . . . 0.0 109.931 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.82 145.04 35.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.633 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -96.61 115.37 35.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.751 HD21 ' HD3' ' A' ' 174' ' ' ARG . 32.9 tp -104.16 100.18 9.92 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.727 -173.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 71.71 -21.35 0.22 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.889 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -177.32 -46.87 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.997 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -101.45 146.92 26.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 117.614 0.707 . . . . 0.0 110.928 -176.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 mt-10 -78.87 115.33 18.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.666 177.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.625 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.8 t -107.27 152.68 8.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.858 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.781 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 49.8 mt-30 -113.27 119.49 37.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.115 0.484 . . . . 0.0 110.598 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 17' ' ' VAL . 4.7 tt -119.21 118.1 56.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.44 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -90.75 126.18 35.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.948 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.45 123.06 65.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.453 0.644 . . . . 0.0 110.801 177.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 ' CD2' ' A' ' 82' ' ' TYR . 20.7 tp -106.51 103.84 13.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.069 -178.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.37 87.04 7.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.302 0.573 . . . . 0.0 109.481 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 47.8 p -75.2 145.73 41.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.3 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 120.4 16.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.38 169.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -82.4 61.62 4.69 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.44 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.529 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -138.18 173.04 12.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.575 0.226 . . . . 0.0 110.803 -178.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 79' ' ' ARG . 41.9 mt-10 -94.78 -5.73 44.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.06 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -68.33 -64.44 0.86 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.248 0.547 . . . . 0.0 111.476 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.529 ' H ' HD13 ' A' ' 72' ' ' LEU . 70.3 m-85 -84.82 78.71 9.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.937 -174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.02 64.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.875 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -75.75 -10.07 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.065 0.46 . . . . 0.0 111.009 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.656 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 23.2 mt -104.5 -30.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 0.0 109.953 178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 73' ' ' GLU . 55.5 ttp180 -90.96 -65.17 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.146 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.6 -57.46 3.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.207 0.527 . . . . 0.0 111.652 -172.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.63 HD22 ' HA ' ' A' ' 77' ' ' ALA . 63.7 m-80 -68.89 -17.08 63.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.46 -170.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.656 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -89.1 -6.6 56.93 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.073 -0.392 . . . . 0.0 111.929 179.427 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 114' ' ' VAL . 9.1 m-30 -77.73 -24.48 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.968 -176.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HD3' ' C ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -64.57 -57.62 8.63 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.705 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 24.5 t -81.29 -3.16 51.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.084 0.468 . . . . 0.0 111.142 -173.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.53 137.62 14.43 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.123 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 4.8 tp10 -133.18 65.0 1.6 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.671 0.748 . . . . 0.0 109.057 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.424 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . 164.07 111.24 0.25 Allowed Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.783 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -122.71 124.73 44.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.375 0.607 . . . . 0.0 111.569 -173.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.2 mt -97.07 117.11 30.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.754 177.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 HD23 ' A' ' 123' ' ' LEU . 46.1 mt -93.36 106.33 18.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.0 m -107.01 136.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.804 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.041 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.454 ' HA ' HG11 ' A' ' 25' ' ' VAL . 31.6 p90 -145.01 156.34 43.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.439 176.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -106.65 139.43 41.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.754 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -72.48 -6.39 7.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.707 -178.029 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.526 ' CG2' HD22 ' A' ' 132' ' ' LEU . 5.7 p -87.56 -39.16 15.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.04 0.448 . . . . 0.0 110.397 173.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -94.8 99.93 11.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.679 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -65.55 -22.72 66.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -57.7 -52.81 63.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.728 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.9 p -62.78 -30.6 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.3 -46.31 80.89 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 m -68.83 -33.67 74.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.049 0.452 . . . . 0.0 110.922 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.8 63.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.457 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.1 p -55.38 -44.67 76.29 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 111.536 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -32.87 70.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.743 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -68.44 -39.36 81.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.386 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.524 ' O ' HG13 ' A' ' 111' ' ' ILE . 27.1 m-85 -58.31 -46.92 85.22 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 -55.25 -49.56 71.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.048 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -63.92 -35.32 80.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.736 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -68.49 -32.17 71.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.5 mt -64.03 -45.91 95.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.056 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.538 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.8 mp -67.51 -6.92 21.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -78.41 -33.08 48.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.03 0.443 . . . . 0.0 110.447 176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.509 HG23 ' HG2' ' A' ' 115' ' ' LYS . 31.2 m -114.55 -6.52 11.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.176 -177.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 18.0 mmmt -134.27 116.19 15.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.715 -176.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -141.81 -67.07 0.4 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.792 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.43 37.5 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.181 0.515 . . . . 0.0 110.779 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.2 -154.39 0.12 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.306 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -71.05 -80.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.593 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.5 mmtm -159.55 125.06 4.18 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.7 mt -81.0 109.35 13.17 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-O 120.807 0.337 . . . . 0.0 110.708 -174.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -94.71 119.07 0.27 Allowed 'Trans proline' 0 N--CA 1.448 -1.18 0 C-N-CA 123.358 2.706 . . . . 0.0 112.565 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 91' ' ' LEU . 5.4 mp -113.8 144.8 42.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.222 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.794 HD13 ' HG2' ' A' ' 153' ' ' GLN . 8.2 tp -136.2 119.79 17.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.776 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.412 ' N ' HD12 ' A' ' 124' ' ' LEU . 12.0 t -84.57 116.64 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.156 -178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' A' ' 92' ' ' VAL . 33.7 t -108.96 110.6 32.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.489 -176.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.07 111.18 3.63 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.576 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 5.0 p30 -106.77 168.75 8.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.555 0.217 . . . . 0.0 111.1 -176.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.593 ' HB3' HD23 ' A' ' 132' ' ' LEU . 2.5 mptm? 72.83 31.55 1.56 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.958 0.786 . . . . 0.0 111.828 177.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 31.2 m -65.08 0.1 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.975 -0.453 . . . . 0.0 111.136 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 129' ' ' LYS . 5.1 p-10 -90.17 -0.12 57.46 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 129' ' ' LYS . 1.4 pp -90.74 -42.97 10.39 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.596 173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 57.52 -77.13 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.117 0.967 . . . . 0.0 113.223 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.96 -26.28 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -88.66 12.41 14.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.727 -176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.754 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 50.6 ttp180 -65.63 113.94 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.06 0.457 . . . . 0.0 110.686 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -91.7 -30.43 16.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.406 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.7 p -112.1 118.57 45.86 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.98 121.26 9.57 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.669 2.246 . . . . 0.0 111.418 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -68.08 -15.92 20.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -173.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.33 -46.93 86.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.591 -178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.78 -27.47 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.424 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -65.35 -30.3 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.304 0.573 . . . . 0.0 110.593 177.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 73.5 mtp180 -71.74 -36.95 70.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.285 178.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 23.2 t -78.76 -22.52 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.12 0.962 . . . . 0.0 108.698 -179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 143' ' ' ALA . 13.8 tppt? -65.46 -46.46 79.75 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.404 -1.271 . . . . 0.0 109.763 177.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.601 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -62.36 -36.96 83.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.084 174.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 145' ' ' SER . 34.3 tt0 -57.78 -38.78 76.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.334 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.07 -35.45 80.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.115 0.483 . . . . 0.0 110.774 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -88.81 -8.35 54.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.753 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.15 29.51 56.53 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.238 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.601 HG23 ' HB1' ' A' ' 147' ' ' ALA . 30.1 m -116.54 -177.24 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 CA-C-O 120.97 0.414 . . . . 0.0 110.963 -178.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.794 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.8 pm0 -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.685 178.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -121.31 124.16 43.91 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.935 177.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 28.4 t -125.0 133.5 69.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.817 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -87.98 139.59 30.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.343 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.452 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 31.1 p -139.23 131.96 29.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.312 -178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.458 ' H ' ' HB3' ' A' ' 163' ' ' ALA . 6.7 p -121.66 118.1 28.33 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.26 -10.1 59.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -64.11 -44.82 91.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.978 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.1 t -114.69 3.15 14.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.942 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 63.13 81.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.51 0.671 . . . . 0.0 110.643 -175.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.458 ' HB3' ' H ' ' A' ' 158' ' ' SER . . . -90.57 -143.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.962 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -64.13 45.41 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.919 0.888 . . . . 0.0 112.21 176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.477 ' O ' HG22 ' A' ' 168' ' ' VAL . 60.4 t -68.31 -50.34 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 110.183 -178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.37 -29.38 70.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.902 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.33 -50.52 71.22 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.86 -175.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -59.91 -25.33 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -75.41 -52.17 11.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.519 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 70.6 m-85 -66.14 -43.14 87.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.234 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.16 -49.04 79.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.792 -176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.4 tp -63.8 -37.81 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.201 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 176' ' ' ILE . 68.9 mtm -63.4 -30.59 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.259 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.751 ' HD3' HD21 ' A' ' 57' ' ' LEU . 8.7 mmm180 -72.76 -37.97 67.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.651 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.54 ' HA ' ' OE1' ' A' ' 175' ' ' GLU . 3.9 mm-40 -62.01 -35.91 79.94 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.668 174.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.639 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 78.8 mt -57.41 -48.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.108 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -67.48 -31.95 72.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.526 -176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 185' ' ' LYS . 17.4 m -57.9 -41.4 82.51 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.299 0.571 . . . . 0.0 109.789 176.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 43.1 mmtt -73.88 -34.39 64.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.551 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 26.1 mmmt -72.7 -41.94 64.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.434 -176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.3 mtt -80.48 -24.19 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.409 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 11.5 t 71.45 174.84 0.29 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 124.054 0.846 . . . . 0.0 110.693 -177.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 66.38 122.92 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.703 0.801 . . . . 0.0 110.728 -171.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 64.5 t30 64.31 17.61 10.84 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.376 -170.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.535 ' HA ' HG22 ' A' ' 178' ' ' THR . 15.6 pttp . . . . . 0 C--O 1.249 1.044 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.796 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.363 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 24.0 t -162.66 -63.8 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 60.53 -90.33 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.508 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.576 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.2 m -102.02 -22.38 14.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.847 0.356 . . . . 0.0 110.855 -176.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -61.51 -27.34 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.92 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.89 -56.94 14.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.313 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -68.34 -31.67 74.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.08 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.603 ' O ' HG13 ' B' ' 402' ' ' ILE . 48.7 mm -60.38 -55.26 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.576 0.227 . . . . 0.0 110.543 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.31 -41.72 94.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.603 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -61.9 -39.77 93.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.875 0.369 . . . . 0.0 110.709 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' B' ' 439' ' ' LEU . 5.1 tp10 -72.13 -40.15 68.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.641 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.603 HG13 ' O ' ' B' ' 398' ' ' ILE . 69.9 mt -53.87 -47.13 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -55.39 -46.29 76.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.09 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 43.7 ttm105 -63.08 -42.49 99.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.881 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.585 ' NE2' HG23 ' B' ' 432' ' ' VAL . 15.3 mm100 -71.97 -35.99 69.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.628 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.91 -43.18 98.92 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -59.29 -49.45 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.048 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' B' ' 432' ' ' VAL . 92.5 mt -60.4 -44.43 95.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -59.64 -45.66 91.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.466 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -55.96 -49.8 72.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.937 -1.028 . . . . 0.0 110.764 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.9 t -61.85 -56.0 23.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.795 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.444 ' O ' HD13 ' B' ' 416' ' ' LEU . 1.9 mm? -54.89 -33.11 61.67 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.461 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.567 ' CE1' ' HB1' ' A' ' 48' ' ' ALA . 4.6 m-70 -73.13 -49.18 29.72 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.635 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -76.79 -38.37 54.12 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.605 -172.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -64.9 -46.14 82.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.753 0.311 . . . . 0.0 111.007 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' B' ' 425' ' ' LYS . 10.8 mp -70.66 -34.65 72.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.913 0.387 . . . . 0.0 111.239 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.584 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 3.0 mt-30 -65.94 -10.58 40.31 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.455 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.8 1.67 66.97 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.022 -0.608 . . . . 0.0 112.007 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.24 18.01 35.1 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.362 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 55.1 mt -119.38 117.53 54.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -135.16 147.21 49.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.666 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.9 t70 -148.34 161.49 41.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -27.47 68.56 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.733 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -66.03 -38.02 87.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.807 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.666 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 52.5 mmtt -68.47 -52.06 36.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.632 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -61.93 -39.71 93.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.5 -175.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.15 -43.39 91.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.593 176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.3 mmt180 -66.19 -34.86 78.99 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.199 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 15.3 tp -66.31 -50.98 61.79 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.727 -172.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.705 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 8.1 m95 -67.19 -30.78 70.82 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.412 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.812 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 40.4 tt0 -64.33 -55.13 23.32 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.306 -177.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.685 HG21 ' HB2' ' B' ' 408' ' ' LEU . 2.3 p -62.97 -34.71 67.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.108 177.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.5 -50.94 71.93 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.622 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.812 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 1.0 OUTLIER -64.52 -29.95 70.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.636 0.255 . . . . 0.0 110.445 -177.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -75.75 -38.94 38.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.985 0.421 . . . . 0.0 110.294 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -61.73 -45.5 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.659 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 7.8 t -73.2 -30.07 63.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.027 0.441 . . . . 0.0 109.949 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.67 -39.25 80.69 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.003 174.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.588 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.1 OUTLIER -58.2 -43.48 87.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.671 176.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -65.99 -33.45 75.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.695 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -67.58 -42.53 82.39 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.581 ' HB3' HD12 ' B' ' 398' ' ' ILE . 14.6 mmmm -59.7 -35.81 75.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.286 176.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' B' ' 398' ' ' ILE . 50.0 tp -62.12 -46.49 88.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.908 0.385 . . . . 0.0 110.564 178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.04 -2.84 56.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.223 0.535 . . . . 0.0 110.806 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -85.67 -32.36 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.156 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.616 -178.499 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.509 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.237 -0.345 . . . . 0.0 112.237 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -115.47 15.42 16.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.403 0.62 . . . . 0.0 109.466 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 p -87.1 159.28 18.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.713 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 m 67.16 16.53 10.24 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -93.09 -16.5 24.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.5 -18.52 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.873 -175.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.5 tp -91.95 121.53 33.62 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.482 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -129.39 134.05 47.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.781 -177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 11.1 mmpt? -96.74 106.82 19.17 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -121.25 108.69 23.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.158 0.504 . . . . 0.0 110.5 -178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.8 mt -111.17 122.25 65.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.694 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 51.2 ttm -89.57 124.23 34.36 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HZ ' ' A' ' 83' ' ' PHE . 19.0 t -98.5 128.72 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.979 -174.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.64 157.6 10.08 Favored Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.1 t -97.14 -90.51 0.26 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 117.491 0.645 . . . . 0.0 111.003 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.636 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -117.51 -47.84 0.44 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.37 -176.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.49 38.45 1.22 Allowed Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.442 -0.409 . . . . 0.0 113.016 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.597 ' HB ' HG13 ' A' ' 92' ' ' VAL . 35.8 m -126.88 -19.78 2.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.621 0.248 . . . . 0.0 111.102 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.685 ' HA2' ' O1A' ' A' ' 500' ' ' GNP . . . 58.95 34.17 77.37 Favored Glycine 0 C--N 1.335 0.522 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.432 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.694 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 23.5 pttm -79.1 -21.72 46.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -170.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' HD23 ' A' ' 32' ' ' LEU . 72.4 m -68.61 -34.05 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.018 0.437 . . . . 0.0 110.239 175.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.18 -34.07 68.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.3 mt -73.27 -41.1 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.625 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.6 p -68.77 -32.53 72.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.18 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 3.7 mm? -64.98 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.307 175.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 80.1 mm-40 -60.65 -54.97 38.88 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.394 0.616 . . . . 0.0 110.171 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -68.98 -24.33 64.23 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.9 -177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.0 ttm -83.1 -52.07 6.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.738 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -120.08 24.67 10.35 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.8 t70 75.63 -56.55 0.6 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.827 0.704 . . . . 0.0 112.384 172.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -102.76 -173.97 2.45 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.326 0.584 . . . . 0.0 112.206 -172.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.442 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 58.9 t80 -75.23 138.63 42.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.807 -177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.623 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.1 p -56.46 130.84 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.628 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -84.23 -72.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.737 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -137.72 87.66 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.298 -177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -150.5 114.19 4.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.103 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.573 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 7.7 tp10 -102.56 -67.82 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-O 118.491 -0.766 . . . . 0.0 111.549 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.573 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 37.1 Cg_exo -11.44 -79.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 125.121 3.881 . . . . 0.0 115.119 -161.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 p 51.64 11.43 0.13 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -88.5 -56.58 3.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.307 0.575 . . . . 0.0 111.444 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' HB1' HD12 ' B' ' 409' ' ' LEU . . . -124.24 -10.42 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.972 -174.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -98.73 118.11 34.72 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.893 0.378 . . . . 0.0 110.503 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 p -133.79 163.0 30.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.452 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 80.6 t80 -139.24 130.67 27.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.553 ' HB3' ' OD1' ' A' ' 65' ' ' ASP . 2.4 ptp180 -82.51 129.7 34.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.473 0.654 . . . . 0.0 111.177 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -101.15 131.43 47.11 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.252 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 38.1 ttmt -101.85 130.64 48.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.857 0.361 . . . . 0.0 110.351 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.0 m -135.73 166.95 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.4 p -145.7 118.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.663 0.744 . . . . 0.0 111.295 174.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.87 106.09 11.73 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.063 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.84 67.6 0.61 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.186 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.42 -78.29 0.25 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.942 -1.123 . . . . 0.0 115.73 166.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.1 pt-20 -84.54 131.34 34.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.955 0.377 . . . . 0.0 111.776 -166.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.84 118.24 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 170.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 2.1 t -105.65 136.7 38.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.493 -169.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -113.66 117.9 32.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.104 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.469 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 11.5 tt -121.43 121.54 64.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.332 0.587 . . . . 0.0 110.723 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.553 ' OD1' ' HB3' ' A' ' 52' ' ' ARG . 31.7 m-20 -97.34 125.31 41.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.9 mm -107.74 118.87 56.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.291 -177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.79 109.87 19.94 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -77.6 106.31 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.58 ' HB ' ' HA ' ' A' ' 79' ' ' ARG . 17.2 p -73.81 108.71 6.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.449 -173.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.1 124.03 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.12 72.19 0.47 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.36 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 75' ' ' TYR . 1.6 pt? -128.34 -175.18 3.43 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.6 -30.63 70.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.75 -81.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.732 0.777 . . . . 0.0 110.608 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.534 ' HB2' HD21 ' A' ' 72' ' ' LEU . 86.7 m-85 -82.26 91.12 6.7 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.45 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.85 -32.76 10.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.479 0.657 . . . . 0.0 109.568 171.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.05 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.772 -174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.512 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.3 mt -69.75 -22.93 25.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.275 0.559 . . . . 0.0 109.647 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HA ' ' HB ' ' A' ' 69' ' ' THR . 34.6 ttp180 -91.86 -65.11 1.03 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.137 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.21 -58.96 2.96 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -169.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.817 HD22 ' HB3' ' B' ' 416' ' ' LEU . 93.8 m-20 -57.58 -33.73 68.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 -175.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.1 m-85 -68.4 -21.57 64.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' HZ ' HG13 ' A' ' 20' ' ' VAL . 14.9 m-30 -64.54 -21.54 66.72 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.618 ' HB3' ' HG2' ' B' ' 426' ' ' GLU . 3.0 tmm_? -59.75 -50.03 75.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.548 0.213 . . . . 0.0 110.89 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.5 m -89.37 20.98 3.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.918 0.389 . . . . 0.0 111.727 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.13 -170.7 44.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.648 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.506 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 4.2 tp10 -157.92 -67.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.93 135.37 12.39 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.5 m-85 -130.47 134.32 46.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.114 0.483 . . . . 0.0 111.595 -175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.582 HD23 ' HB3' ' A' ' 124' ' ' LEU . 93.3 mt -103.22 119.64 39.24 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.657 175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 79.2 mt -94.96 107.17 19.2 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG13 ' HB ' ' A' ' 25' ' ' VAL . 6.5 p -107.78 141.3 23.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-O 120.941 0.4 . . . . 0.0 111.048 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -153.54 168.74 25.15 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.444 175.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.638 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 34.2 t -106.14 140.38 39.2 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 130' ' ' SER . 0.2 OUTLIER -78.59 6.35 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.447 0.641 . . . . 0.0 110.855 -178.131 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.875 HG21 HD22 ' A' ' 132' ' ' LEU . 75.7 p -119.88 -22.43 6.78 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.606 177.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.638 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 1.2 mp0 -94.64 95.28 8.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.674 175.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -65.83 -24.52 66.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.488 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -55.81 -50.22 71.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.516 0.674 . . . . 0.0 110.027 176.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.8 m -67.28 -35.18 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.351 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -64.08 -40.32 95.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.674 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 m -70.76 -28.79 64.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.395 0.617 . . . . 0.0 110.648 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.83 -15.29 59.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.224 -177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -45.6 67.04 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.827 0.346 . . . . 0.0 111.611 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.41 92.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.727 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.52 -38.94 89.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.637 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.46 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.2 m-85 -57.34 -51.6 68.73 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.975 0.417 . . . . 0.0 110.248 177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 108' ' ' ARG . 37.5 ttt180 -66.03 -44.23 85.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.744 -177.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.39 -33.89 75.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.279 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.245 0.545 . . . . 0.0 109.67 177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.0 mt -64.64 -48.38 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.315 176.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -68.75 -13.18 62.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.766 0.317 . . . . 0.0 111.087 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -78.74 -31.72 46.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 115' ' ' LYS . 33.8 m -105.25 -25.22 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.754 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.495 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -98.32 -94.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 64.18 -71.22 0.07 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 177.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.59 34.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 111.228 -172.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 13.6 mm-40 -98.1 -168.57 1.68 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.1 -177.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -79.36 -72.8 0.37 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.589 ' HB2' ' HG2' ' A' ' 179' ' ' LYS . 75.3 mmtt -142.75 140.54 31.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 65.6 mt -109.05 97.22 23.83 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.787 0.327 . . . . 0.0 110.225 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 17.0 Cg_exo -67.2 121.08 8.18 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.068 2.512 . . . . 0.0 111.474 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.6 mt -127.29 124.19 38.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.973 -176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 153' ' ' GLN . 12.7 tp -126.92 118.68 25.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.907 176.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.59 127.47 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.928 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.8 t -122.38 110.77 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.585 -175.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.83 114.39 4.26 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.57 HD22 HG23 ' A' ' 92' ' ' VAL . 12.7 m-80 -107.54 158.03 17.55 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -170.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.522 ' HE2' ' C2 ' ' A' ' 500' ' ' GNP . 43.3 tttm 68.55 56.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.892 169.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.581 ' HA ' HD11 ' A' ' 95' ' ' ILE . 16.3 m -76.28 4.34 9.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.008 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -12.84 61.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -175.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.875 HD22 HG21 ' A' ' 96' ' ' THR . 7.0 mp -70.17 -46.14 65.26 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 172.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 62.33 -77.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.016 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.72 -21.16 63.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.175 0.512 . . . . 0.0 110.628 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.833 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.8 mtp180 -94.67 21.86 6.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.029 -178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HA ' HG22 ' A' ' 96' ' ' THR . 35.3 ttm180 -59.44 113.17 2.05 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.454 ' H ' ' HA ' ' A' ' 96' ' ' THR . 25.8 tp60 -91.52 -35.74 14.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.194 -178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.32 126.61 28.09 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 119.78 -0.768 . . . . 0.0 111.097 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.95 116.64 3.4 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.754 2.302 . . . . 0.0 111.112 175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -73.17 -13.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.171 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -57.11 -48.56 78.33 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.478 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.84 -24.45 52.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.88 84.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.199 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -64.73 -36.24 83.64 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.366 0.603 . . . . 0.0 109.546 174.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.461 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 22.9 t -66.51 -18.07 65.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.967 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 7.2 mmpt? -72.33 -40.99 67.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.013 0.435 . . . . 0.0 110.035 175.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -63.84 -40.92 97.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.458 0.647 . . . . 0.0 109.464 174.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 27.5 tt0 -58.68 -48.7 80.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.457 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.3 -42.91 92.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.683 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -92.59 -5.56 51.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.485 -173.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.39 41.41 20.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.969 -0.634 . . . . 0.0 113.039 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.62 -170.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.53 0.205 . . . . 0.0 110.591 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.791 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -106.47 159.55 16.07 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.881 177.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 66.3 t80 -129.18 125.41 36.95 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.649 177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.31 121.67 56.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.384 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.08 134.93 33.79 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.53 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 40.9 p -138.34 158.16 44.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.955 0.407 . . . . 0.0 111.548 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 39.8 t -138.49 135.22 34.91 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.15 3.61 20.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.529 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -82.72 -49.6 9.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.563 174.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.5 p -92.96 -18.62 22.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.417 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 65.25 20.81 11.97 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.438 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.57 122.76 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.826 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 90.3 m-20 70.39 0.55 3.25 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.285 177.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 168' ' ' VAL . 98.1 t -64.92 -49.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 111.063 -176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.43 -29.06 69.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.971 0.415 . . . . 0.0 110.717 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -57.08 -50.08 73.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.331 -175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.1 m -58.74 -27.74 35.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -175.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -74.95 -49.44 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.017 0.437 . . . . 0.0 110.383 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -64.98 -47.21 78.36 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.281 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -51.56 69.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.12 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.505 ' O ' HG13 ' A' ' 176' ' ' ILE . 28.8 tp -60.48 -42.29 95.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.712 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.8 mtm -61.98 -40.08 94.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.113 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HD3' ' HD2' ' A' ' 177' ' ' ARG . 7.0 mmt180 -65.03 -40.86 95.46 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.793 178.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -58.65 -42.7 88.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.544 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 172' ' ' LEU . 78.5 mt -58.47 -34.84 51.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.472 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' HD2' ' HD3' ' A' ' 174' ' ' ARG . 29.3 mtp-105 -60.51 -41.43 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.922 0.391 . . . . 0.0 110.11 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.9 m -63.57 -32.08 73.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.449 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.589 ' HG2' ' HB2' ' A' ' 120' ' ' LYS . 2.5 mptp? -69.42 -40.78 77.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.719 0.295 . . . . 0.0 110.702 177.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -71.36 -35.17 71.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.808 0.337 . . . . 0.0 110.567 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.6 mtt -69.78 -35.19 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.9 p 60.7 133.46 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.1 1.36 . . . . 0.0 112.078 -178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -79.99 58.17 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.582 0.706 . . . . 0.0 110.313 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.08 -25.72 9.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.443 179.185 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.767 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 31.2 t -79.25 91.39 5.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.0 109.519 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -101.16 -62.62 1.22 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.694 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.445 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m -74.44 -37.62 63.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.134 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.449 ' HB3' ' HE3' ' B' ' 399' ' ' LYS . 85.9 mt-30 -63.23 -32.48 73.89 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.57 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.44 72.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.873 0.368 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.13 95.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.054 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.445 HG12 ' O ' ' B' ' 394' ' ' THR . 47.6 mm -61.58 -51.58 71.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.518 0.199 . . . . 0.0 110.547 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 98.9 mttt -61.76 -38.79 89.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.454 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.937 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.646 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 17.1 tp10 -67.94 -37.54 81.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.597 HG12 ' HB3' ' B' ' 439' ' ' LEU . 73.8 mt -53.91 -50.41 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.592 173.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 78.0 mtp180 -54.62 -44.01 72.77 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.255 0.55 . . . . 0.0 110.614 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.646 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 57.8 ttt180 -63.82 -48.71 75.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.921 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 80.0 mm-40 -74.59 -34.46 62.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.528 ' HG3' HD21 ' B' ' 436' ' ' LEU . 46.3 mt-10 -63.66 -38.1 89.83 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -65.62 -48.26 72.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.62 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 87.3 mt -58.56 -47.4 84.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 0.0 110.377 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.636 HD23 HG13 ' B' ' 432' ' ' VAL . 2.9 tm? -68.01 -37.14 81.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.144 -178.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -69.21 -33.1 72.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.835 0.35 . . . . 0.0 110.817 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.3 t -60.15 -51.33 70.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.264 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -55.39 -38.09 68.43 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 174.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -62.15 -39.81 93.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.828 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -76.56 -38.76 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.515 0.198 . . . . 0.0 111.142 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.78 -42.86 80.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.244 0.545 . . . . 0.0 110.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.817 ' HB3' HD22 ' A' ' 81' ' ' ASN . 86.7 mt -71.44 -30.6 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.144 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -65.47 -14.41 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 0.0 111.736 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.5 8.47 61.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.578 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.08 23.91 43.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.922 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.6 mt -121.74 141.55 41.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -152.42 146.58 25.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.312 0.577 . . . . 0.0 110.733 173.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.458 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 32.9 t70 -149.14 156.37 42.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.919 -178.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -56.64 -33.96 66.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.03 0.443 . . . . 0.0 110.951 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.1 m -63.56 -31.4 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.021 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.463 ' HB3' HD21 ' B' ' 416' ' ' LEU . 33.8 mmtt -72.07 -55.62 7.04 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.846 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.693 ' HA ' HD12 ' B' ' 429' ' ' LEU . 6.7 mp0 -61.46 -42.46 98.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.437 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.37 -37.64 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.111 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.543 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 mmt180 -69.22 -33.4 73.25 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.414 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.782 HD11 HD11 ' B' ' 416' ' ' LEU . 24.8 mt -55.54 -57.3 12.51 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.538 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.415 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 93.3 m95 -65.88 -30.73 71.37 Favored 'General case' 0 C--N 1.318 -0.764 0 O-C-N 123.162 0.289 . . . . 0.0 111.024 -178.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.58 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 9.3 tp10 -66.37 -56.65 10.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.555 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -65.88 -33.64 64.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.435 0.636 . . . . 0.0 109.887 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -56.35 -52.14 65.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.889 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.58 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -64.83 -28.61 69.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.028 0.442 . . . . 0.0 110.288 -176.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' B' ' 432' ' ' VAL . 56.7 mt -69.29 -51.87 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.074 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' B' ' 406' ' ' GLU . 2.7 tm? -59.83 -41.77 92.09 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.871 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.545 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.0 t -67.53 -34.06 76.33 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.69 -177.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.19 -35.2 76.0 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.947 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.597 ' HB3' HG12 ' B' ' 402' ' ' ILE . 3.1 mp -63.99 -44.56 92.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.41 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -61.22 -34.1 74.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.183 0.515 . . . . 0.0 109.895 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -68.21 -45.07 74.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.423 176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.501 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.0 mmmm -63.53 -28.65 70.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.478 178.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 48.9 tp -63.71 -42.24 97.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.991 0.424 . . . . 0.0 110.067 174.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 33.6 mtp180 -82.69 -4.31 57.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.9 tp10 -88.62 -38.0 15.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.164 177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.836 -179.173 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.685 ' O1A' ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -170.08 -50.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 110.454 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 t -163.99 -162.35 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.5 m -73.53 76.9 1.46 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.218 0.532 . . . . 0.0 110.264 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 mt -124.81 4.08 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.528 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -102.68 4.95 38.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.251 0.548 . . . . 0.0 111.199 -174.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.9 tp -129.29 128.41 43.14 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.576 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 80.4 m-70 -135.52 139.52 44.04 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.47 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.729 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -129.21 106.86 9.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.794 173.198 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.9 m -108.0 131.59 57.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.977 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.9 mt -107.06 124.85 63.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.534 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.693 ' SD ' ' HB2' ' A' ' 27' ' ' LYS . 55.3 ttm -95.89 126.44 41.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.605 -0.516 . . . . 0.0 109.605 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 111' ' ' ILE . 25.9 m -95.39 169.3 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.923 0.392 . . . . 0.0 111.094 -175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.3 171.87 27.88 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.905 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.4 m -133.08 -61.75 0.82 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.922 0.391 . . . . 0.0 110.298 -176.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.74 -131.22 7.26 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.955 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' HA2' ' O2A' ' A' ' 500' ' ' GNP . . . -104.44 68.76 0.27 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.131 -175.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.607 ' HA ' ' OG ' ' A' ' 94' ' ' SER . 27.5 m -83.31 5.7 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.157 0.504 . . . . 0.0 111.066 176.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.15 18.89 76.92 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 115.681 -0.69 . . . . 0.0 113.699 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB2' ' SD ' ' A' ' 19' ' ' MET . 40.6 pttt -66.88 -41.71 86.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -173.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 m -62.83 -18.38 62.73 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.737 0.303 . . . . 0.0 111.325 -177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.41 65.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 111.429 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.91 -41.17 83.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.336 -176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.586 ' HB ' ' HE2' ' A' ' 51' ' ' TYR . 23.7 p -67.03 -37.35 83.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.201 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 HG22 ' A' ' 40' ' ' VAL . 19.8 tp -65.83 -40.33 91.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.979 0.419 . . . . 0.0 110.605 178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -75.13 -6.42 49.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.937 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -67.99 -41.37 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.975 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.621 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 1.8 pmm? -119.65 -32.21 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.84 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.617 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 82.4 m-85 -86.27 -32.42 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.151 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 71.39 -0.48 3.1 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.292 0.568 . . . . 0.0 111.495 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.617 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 12.4 pt-20 -99.02 157.81 16.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 148.27 26.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG22 HD22 ' A' ' 32' ' ' LEU . 36.5 t -71.57 101.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.104 0.478 . . . . 0.0 110.97 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -111.52 -32.84 6.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.712 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -130.89 83.62 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.979 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' HB3' HG13 ' A' ' 40' ' ' VAL . 4.9 t80 -176.15 91.44 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 4.0 mp0 -89.64 -59.27 0.24 Allowed Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.382 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 52.0 Cg_endo -67.46 152.65 78.4 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.146 1.897 . . . . 0.0 112.926 -175.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 68' ' ' ASP . 0.2 OUTLIER -156.88 30.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 172.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' HB3' HD13 ' A' ' 78' ' ' ILE . 54.9 mtmt -85.7 -48.22 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.601 -176.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -123.34 12.61 9.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.777 0.799 . . . . 0.0 109.465 176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.7 m-20 -90.46 84.73 6.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.554 -1.203 . . . . 0.0 110.491 -174.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 p -97.56 155.34 17.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.782 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' HE2' ' HB ' ' A' ' 31' ' ' THR . 0.5 OUTLIER -144.86 143.2 30.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.132 -178.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 31.7 ttm180 -125.21 150.11 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -172.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HD3' ' HB2' ' A' ' 35' ' ' MET . 53.9 tptt -136.56 138.21 41.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.57 -178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.431 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 36.2 ttmt -98.56 124.34 43.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.43 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.8 m -133.92 147.02 30.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -123.36 123.95 68.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.22 0.533 . . . . 0.0 110.558 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.91 95.99 5.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.075 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.59 22.91 3.24 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.66 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.18 -111.0 0.27 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 119.536 -1.316 . . . . 0.0 114.15 -175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.1 pt-20 -104.35 159.14 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -175.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 69.4 mt-10 -69.64 118.51 12.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.118 0.485 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 13' ' ' ALA . 12.6 t -106.45 142.82 18.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.277 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -112.32 117.73 33.29 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.142 0.496 . . . . 0.0 110.708 -176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.656 HD12 ' SD ' ' A' ' 173' ' ' MET . 14.6 tt -105.56 124.97 60.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.314 0.578 . . . . 0.0 110.072 178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.729 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 30.3 t70 -109.75 121.36 45.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.304 -175.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.7 mm -107.82 127.07 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.12 0.486 . . . . 0.0 111.96 -171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.4 tp -123.4 134.9 53.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.444 172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.526 ' HB3' HG22 ' A' ' 46' ' ' THR . 42.3 t0 -112.66 146.45 38.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 p -98.87 154.5 17.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -172.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.01 122.24 42.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.818 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.905 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -85.47 63.76 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.856 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.4 OUTLIER -130.93 174.78 9.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 -177.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -103.27 3.41 35.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.032 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 72' ' ' LEU . 14.6 m-20 -83.58 -82.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 97.0 m-85 -75.84 71.21 2.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.229 -177.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -26.67 68.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.18 0.514 . . . . 0.0 110.634 176.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.722 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -65.45 -19.04 65.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.213 178.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 1.025 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 81.9 mt -98.95 -34.49 4.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.997 -178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -83.28 -66.3 0.91 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.295 0.569 . . . . 0.0 110.417 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.83 -49.31 16.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.656 -174.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.722 HD22 ' HA ' ' A' ' 77' ' ' ALA . 87.4 m-20 -76.53 -17.52 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.828 -166.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 1.025 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.3 m-85 -84.67 -12.83 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.884 -0.51 . . . . 0.0 111.631 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.7 m-30 -67.44 -16.91 64.48 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -61.95 -65.88 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.601 0.239 . . . . 0.0 111.605 -172.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.446 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.7 m -81.65 23.49 0.65 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -171.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.17 140.23 14.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.491 174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 176' ' ' ILE . 12.5 pt-20 -91.98 -37.0 13.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.683 0.241 . . . . 0.0 111.202 -175.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.18 153.25 20.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.053 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.6 m-85 -130.09 136.49 49.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 111.14 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' HG22 ' A' ' 20' ' ' VAL . 89.7 mt -108.94 123.39 49.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.47 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.8 mt -101.3 107.13 18.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.46 139.71 49.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.619 0.247 . . . . 0.0 110.719 -175.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.423 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 32.1 p90 -150.31 161.71 41.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.173 -178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -90.86 138.98 31.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.677 176.165 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -0.97 3.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.87 0.366 . . . . 0.0 111.498 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.768 HG23 HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -86.92 -26.29 23.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.674 174.02 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -97.17 101.03 12.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.088 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -69.4 -23.39 63.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 0.0 109.877 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -68.64 -41.59 79.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.638 176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 50.1 m -64.86 -32.41 74.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 110.55 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.463 ' HB2' HG21 ' A' ' 138' ' ' VAL . 58.1 t80 -64.48 -42.6 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.435 175.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 m -73.3 -28.22 61.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.33 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.2 -14.46 62.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.243 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.0 p -55.07 -44.72 75.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.099 0.476 . . . . 0.0 111.107 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.41 -35.78 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.639 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.07 -50.28 74.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.275 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.6 m-85 -57.56 -48.86 78.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.944 177.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -55.41 -57.12 13.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.166 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.54 -27.17 65.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.895 -175.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -71.82 -35.06 69.81 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -65.43 -47.76 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.252 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.9 mp -70.22 -14.76 62.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.447 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -70.72 -29.88 66.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.174 0.511 . . . . 0.0 109.896 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.473 HG23 ' HG2' ' A' ' 115' ' ' LYS . 17.4 m -110.37 -5.75 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.615 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.908 ' HD3' ' HA ' ' A' ' 84' ' ' ARG . 7.6 mmmm -138.32 94.17 2.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.117 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -131.75 -36.7 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.31 3.64 34.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.917 0.389 . . . . 0.0 111.422 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.669 ' HG3' ' CE ' ' A' ' 115' ' ' LYS . 5.4 mm-40 -78.81 175.36 10.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.575 -176.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.616 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 7.4 t70 -68.48 -79.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.834 -0.166 . . . . 0.0 111.228 -176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.616 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 42.1 mmtm -134.67 146.0 49.09 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.2 mt -120.73 91.63 47.41 Favored Pre-proline 0 C--N 1.318 -0.804 0 CA-C-O 121.037 0.446 . . . . 0.0 110.223 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.678 ' HG2' HG12 ' A' ' 176' ' ' ILE . 9.0 Cg_exo -72.23 134.6 23.26 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.132 2.555 . . . . 0.0 111.748 178.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 82.9 mt -129.32 137.04 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.862 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 3.2 tp -132.49 122.1 24.36 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.481 ' N ' HD12 ' A' ' 124' ' ' LEU . 17.8 t -92.28 123.9 44.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.86 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 36.6 t -117.99 125.62 74.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.373 -176.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 123.12 7.02 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -120.82 167.43 12.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 117.084 0.442 . . . . 0.0 110.653 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.591 ' HE3' HD21 ' A' ' 132' ' ' LEU . 44.6 tptt 67.42 36.67 3.76 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.665 0.745 . . . . 0.0 110.638 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.3 t -77.06 1.33 18.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.511 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -78.88 10.77 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.51 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.768 HD13 HG23 ' A' ' 96' ' ' THR . 12.8 mt -91.26 -41.37 10.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.744 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 50.73 -64.26 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.654 1.582 . . . . 0.0 114.601 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 132' ' ' LEU . 12.3 pt-20 -72.18 -25.9 61.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.187 0.518 . . . . 0.0 110.584 -175.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 20.8 mtp180 -91.9 25.26 2.85 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.007 -177.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -66.28 112.45 3.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.802 0.335 . . . . 0.0 110.292 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -106.44 -20.8 13.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.931 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 101' ' ' PHE . 69.9 t -111.19 117.83 48.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.291 175.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 118.73 5.62 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.923 1.748 . . . . 0.0 109.645 169.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.686 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -61.16 -21.57 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.94 -174.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 23.2 mp0 -57.98 -40.68 81.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.025 0.44 . . . . 0.0 110.06 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.06 -41.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.227 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -60.86 -47.91 84.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.718 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 22.8 mtm180 -61.73 -37.58 84.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.713 176.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -59.13 -44.28 92.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.543 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 146' ' ' LYS . 10.3 mmpt? -62.05 -42.99 99.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.641 177.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -58.7 -48.62 80.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.054 0.454 . . . . 0.0 110.82 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.29 -38.34 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.646 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.21 -42.38 98.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.214 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.2 m0 -90.37 -7.4 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.737 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.12 42.89 34.82 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.455 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.2 m -125.53 -176.29 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.734 0.302 . . . . 0.0 110.819 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -101.6 154.42 18.88 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 69.4 t80 -132.04 126.25 33.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -129.1 131.03 68.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.833 0.349 . . . . 0.0 110.572 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -86.67 127.49 34.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.068 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -137.91 165.02 27.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.826 -177.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.7 m -158.29 131.04 7.2 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -86.88 -5.85 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.919 0.39 . . . . 0.0 111.614 -173.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' A' ' 160' ' ' LYS . 50.7 tptt -88.22 -15.41 35.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.505 0.669 . . . . 0.0 109.874 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.5 p -113.85 -31.07 6.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 68.78 78.14 0.22 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.6 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.71 136.14 19.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.629 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.502 ' HB2' HG22 ' A' ' 157' ' ' THR . 93.3 m-20 65.8 12.7 8.52 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.76 0.663 . . . . 0.0 112.089 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 93.6 t -68.72 -47.31 77.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.868 0.366 . . . . 0.0 110.595 -176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.4 -24.55 54.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.366 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -57.62 -46.39 84.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.294 -177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -65.92 -34.31 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.936 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -69.98 -56.29 7.37 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.907 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -63.73 -31.75 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.45 -175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.63 -51.01 68.96 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.018 0.437 . . . . 0.0 110.611 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 122' ' ' PRO . 31.1 tp -68.0 -39.03 83.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.656 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.0 mtp -58.07 -31.29 66.93 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.602 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -44.18 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.362 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 12.1 mt-10 -60.08 -40.26 88.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.424 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.809 HD13 ' HG3' ' A' ' 87' ' ' GLU . 72.0 mt -58.49 -36.24 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.271 179.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 181' ' ' MET . 49.1 mtp85 -65.59 -45.99 81.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.337 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 21.8 m -61.3 -35.67 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.876 178.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.542 ' HG3' ' HG3' ' A' ' 120' ' ' LYS . 14.4 mptt -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.945 0.402 . . . . 0.0 110.51 174.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.2 mmmt -65.56 -31.85 73.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.028 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 62.7 mtt -80.78 -29.34 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.686 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.0 m 68.29 -172.24 0.19 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.868 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 70.57 167.55 0.3 Allowed 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.785 0.834 . . . . 0.0 112.162 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 184' ' ' ASN . 4.6 m120 58.29 51.21 8.65 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.816 -177.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.586 178.429 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.585 ' HA ' ' OE1' ' B' ' 395' ' ' GLN . 65.0 m 62.71 -84.27 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.984 0.514 . . . . 0.0 111.687 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.15 -83.99 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.191 0.597 . . . . 0.0 111.493 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.501 ' O ' HG12 ' B' ' 398' ' ' ILE . 5.8 t -91.95 -17.66 24.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.319 -177.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.585 ' OE1' ' HA ' ' B' ' 392' ' ' SER . 47.0 mt-30 -53.8 -33.89 57.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.644 0.259 . . . . 0.0 110.905 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -58.8 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.78 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.73 85.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.276 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.519 ' O ' HG13 ' B' ' 402' ' ' ILE . 33.8 mm -58.09 -50.45 78.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 110.646 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.0 mttt -58.55 -44.44 89.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.242 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 14.3 mm-40 -63.32 -40.32 97.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.395 . . . . 0.0 110.565 178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.619 ' HG2' HD21 ' B' ' 439' ' ' LEU . 36.9 tt0 -65.77 -46.14 79.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.133 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.3 mt -53.37 -53.51 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.11 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.647 174.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 61.3 mtp180 -58.7 -34.09 70.91 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.097 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -62.98 -53.0 60.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.104 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.714 HE21 HG23 ' B' ' 432' ' ' VAL . 15.1 mm100 -70.42 -27.7 64.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.598 -175.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 52.7 mt-10 -61.28 -36.06 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -70.03 -46.88 64.1 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.6 mp -56.03 -48.76 75.36 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.54 0.209 . . . . 0.0 111.395 175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.567 HD13 HG13 ' B' ' 432' ' ' VAL . 17.3 tp -62.17 -45.83 91.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -55.85 -43.18 76.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.897 176.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -60.76 -54.55 43.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.7 mm? -57.75 -40.02 78.72 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 20.5 m170 -60.29 -47.4 86.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.288 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.426 ' HA ' HE21 ' B' ' 417' ' ' GLN . 71.9 mtp180 -72.55 -50.71 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -175.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.05 -43.05 86.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 11.2 mp -73.33 -27.75 61.69 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.4 mt-30 -62.81 -26.24 68.64 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.972 0.415 . . . . 0.0 110.111 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.29 -6.17 60.82 Favored Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.725 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.73 36.26 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.523 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 37.6 mt -119.49 116.16 49.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 116.732 0.266 . . . . 0.0 110.306 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.532 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -144.04 168.3 20.32 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.403 0.62 . . . . 0.0 110.173 173.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.591 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 23.4 t70 -149.41 169.08 21.68 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -177.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -65.54 -29.02 69.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 118.177 0.444 . . . . 0.0 110.165 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 -33.24 75.25 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.192 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' B' ' 422' ' ' ASP . 22.5 mmtp -73.18 -42.76 62.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.264 -176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.576 ' HG3' ' HG3' ' A' ' 84' ' ' ARG . 3.0 mm-40 -58.67 -48.13 82.12 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.898 -177.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 12.1 mm-40 -64.76 -48.39 74.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.622 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.544 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.0 mmt180 -64.7 -34.66 78.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -178.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.07 -50.64 70.44 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.775 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 56.1 m95 -68.11 -32.14 72.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.779 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.899 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 41.8 mt-10 -67.77 -56.22 10.06 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.474 -177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.714 HG23 HE21 ' B' ' 405' ' ' GLN . 4.1 p -64.73 -34.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.121 0.486 . . . . 0.0 110.325 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -56.98 -51.99 67.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.279 175.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.899 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.6 ptt180 -67.28 -29.66 69.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.378 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' B' ' 432' ' ' VAL . 59.0 mt -69.85 -40.9 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.063 178.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.496 HD21 ' HG2' ' B' ' 406' ' ' GLU . 25.8 tp -64.88 -43.84 91.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.82 -177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -67.0 -35.52 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.413 . . . . 0.0 110.367 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.677 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -69.77 -35.47 74.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.226 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.717 HD12 ' HD3' ' B' ' 442' ' ' LYS . 0.6 OUTLIER -65.23 -44.02 89.54 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.813 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -66.91 -30.4 70.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.266 0.555 . . . . 0.0 109.562 177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.3 tmt_? -66.32 -42.82 87.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.184 172.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' B' ' 439' ' ' LEU . 56.3 mtpt -57.61 -34.59 69.44 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 175.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.41 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -62.58 -44.37 96.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.628 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.673 ' HA ' ' NE ' ' B' ' 444' ' ' ARG . 1.8 mmp_? -83.08 -10.98 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -79.52 -22.01 44.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.324 0.583 . . . . 0.0 109.724 172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.446 178.497 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.423 ' O2A' ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.941 -0.463 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.473 ' HA ' HD12 ' A' ' 12' ' ' LEU . 51.8 mt-30 65.3 -168.93 0.21 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.707 0.403 . . . . 0.0 111.348 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.5 t 70.92 -53.67 0.67 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.305 0.642 . . . . 0.0 110.479 -173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.7 t -84.58 15.54 3.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.409 0.624 . . . . 0.0 109.766 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 9' ' ' GLN . 48.6 mt -123.61 25.44 8.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.289 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.572 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -103.06 8.37 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 111.983 -173.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.908 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 40.5 tp -129.87 103.55 6.87 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.426 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -103.57 134.87 46.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.824 0.345 . . . . 0.0 111.328 -172.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.908 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -103.46 114.4 28.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.096 177.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.56 117.61 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.097 0.475 . . . . 0.0 110.846 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 HD12 ' A' ' 67' ' ' LEU . 66.1 mt -107.14 130.97 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.014 178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.457 ' HG2' HD12 ' A' ' 90' ' ' LEU . 83.4 mtp -107.13 112.75 25.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.888 0.375 . . . . 0.0 110.465 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -108.41 158.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.921 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -178.1 -161.23 25.85 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.6 m -93.07 8.39 40.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.979 0.419 . . . . 0.0 110.591 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.59 -47.62 1.02 Allowed Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.156 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -102.1 -112.72 3.64 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.192 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.1 t 72.76 -54.82 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 C-N-CA 123.634 0.774 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 137.44 26.77 0.36 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.822 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.753 ' HB3' HG21 ' A' ' 92' ' ' VAL . 16.4 pttp -78.41 -18.57 54.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.953 0.377 . . . . 0.0 111.95 -175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 m -77.6 -30.22 52.33 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.026 0.441 . . . . 0.0 110.524 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.95 -42.43 66.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.279 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.613 HD21 HD21 ' A' ' 128' ' ' ASN . 88.5 mt -58.0 -45.65 86.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.582 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 66' ' ' ILE . 36.6 p -68.23 -40.9 81.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.332 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.4 tp -62.25 -40.33 95.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -67.44 -33.85 76.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.99 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -72.24 -35.61 68.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.486 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -93.88 -51.57 4.82 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -98.66 -4.86 32.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 66.04 16.27 10.39 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -129.6 158.61 38.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 0.0 111.553 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -85.38 151.1 24.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.891 179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -71.76 101.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.789 0.804 . . . . 0.0 112.325 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -95.44 -37.42 10.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.561 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -153.92 95.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.177 175.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -165.39 105.16 0.74 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.631 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -90.16 -66.21 0.15 Allowed Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.43 171.454 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.537 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 85.1 Cg_exo -18.91 78.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.37 1.663 1 C-N-CA 125.417 4.078 . . . . 0.0 115.165 -165.463 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 17.0 p -148.88 56.42 1.02 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.516 177.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.759 ' HA ' ' HE3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -84.64 -60.18 2.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 171.008 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.94 -4.26 6.36 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 162.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.38 118.45 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 113.927 -1.488 . . . . 0.0 110.827 -173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m -147.3 160.93 41.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.97 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -113.7 141.47 47.21 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.021 -174.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -90.74 134.06 34.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.203 0.525 . . . . 0.0 111.095 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -98.92 141.14 32.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.103 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -108.99 121.85 46.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.6 m -135.58 148.15 28.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.167 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -128.2 121.29 55.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 121.397 0.618 . . . . 0.0 110.616 176.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.96 96.87 6.52 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.394 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 46.9 75.6 0.12 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.913 0.758 . . . . 0.0 111.974 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.73 -117.92 0.9 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 119.571 -1.299 . . . . 0.0 114.429 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 56' ' ' VAL . 7.7 pt-20 -99.0 151.2 21.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.489 0.185 . . . . 0.0 110.95 -171.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.03 115.99 5.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.894 175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.572 HG13 ' HA ' ' A' ' 13' ' ' ALA . 17.2 t -106.44 138.76 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.878 -176.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.42 133.14 55.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.267 0.556 . . . . 0.0 110.623 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 173' ' ' MET . 6.3 tt -121.35 118.86 57.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -90.61 129.34 36.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.664 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 31' ' ' THR . 29.2 mm -107.89 151.39 9.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 18' ' ' ILE . 29.0 mt -130.34 103.92 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.737 0.303 . . . . 0.0 110.763 171.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.6 t0 -86.37 85.66 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 171.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.9 p -71.19 139.01 50.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.323 -172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' HB1' HD22 ' A' ' 72' ' ' LEU . . . -64.77 107.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.074 173.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.4 77.67 1.81 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.395 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -146.34 168.45 21.08 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.48 -17.12 62.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.216 -176.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 4.8 m-20 -78.3 -77.83 0.15 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.239 0.542 . . . . 0.0 111.581 -178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' HB2' HD21 ' A' ' 72' ' ' LEU . 71.3 m-85 -78.23 61.27 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.842 -171.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.69 -20.18 66.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.3 0.571 . . . . 0.0 110.103 174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.805 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.06 -6.02 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.621 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.524 HG21 ' O ' ' A' ' 47' ' ' LYS . 72.0 mt -101.38 -35.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.074 178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -91.12 -66.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.472 0.653 . . . . 0.0 110.402 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.9 -38.93 66.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.557 -171.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.805 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 4.3 t-20 -77.08 -17.9 58.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.224 -173.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.496 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.9 m-85 -91.83 -14.11 30.29 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.403 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.5 m-30 -58.58 -18.73 32.31 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.488 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 17.1 mmt180 -50.98 -68.89 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.2 t -86.87 32.77 0.66 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.067 0.46 . . . . 0.0 110.958 -175.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.94 130.23 10.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.548 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 176' ' ' ILE . 10.2 mm-40 -91.15 -81.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 122.775 0.43 . . . . 0.0 110.568 177.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.7 144.71 17.45 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.347 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -124.78 128.66 49.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.939 0.4 . . . . 0.0 110.953 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.0 mt -98.83 113.6 25.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.8 176.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.593 HD12 HG22 ' A' ' 125' ' ' VAL . 33.1 mt -89.6 106.4 18.43 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 27' ' ' LYS . 21.8 m -110.6 122.92 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.51 0.671 . . . . 0.0 111.337 -175.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -137.74 154.93 49.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.355 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.97 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 38.4 t -91.67 145.36 24.65 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.745 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.87 -0.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.365 -178.417 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 135' ' ' ARG . 20.3 p -98.81 -20.76 16.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.066 0.46 . . . . 0.0 110.708 172.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.97 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 21.2 mm-40 -91.22 91.04 8.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 121.05 0.452 . . . . 0.0 110.615 -174.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -66.54 -32.28 73.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.852 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.78 -48.05 83.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.961 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.2 m -64.27 -30.5 71.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.211 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CG ' HG21 ' A' ' 138' ' ' VAL . 86.9 t80 -66.52 -47.08 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.4 m -65.43 -28.19 69.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.297 0.57 . . . . 0.0 110.731 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.99 -17.81 63.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.297 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.519 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 74.9 p -61.58 -33.04 73.18 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 111.332 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.34 -37.32 83.08 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.851 0.358 . . . . 0.0 110.14 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -70.94 -37.44 72.87 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.887 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.3 m-85 -57.11 -47.91 79.94 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -55.44 -53.75 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.455 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.516 ' HB3' ' NH2' ' A' ' 113' ' ' ARG . 49.1 mt-10 -64.94 -46.07 83.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.131 -176.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.468 ' NE2' ' HE ' ' A' ' 113' ' ' ARG . 7.5 tp-100 -61.5 -36.78 81.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.652 0.263 . . . . 0.0 111.02 -174.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.4 mt -64.62 -44.64 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.819 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HG ' HD12 ' A' ' 121' ' ' ILE . 9.6 mp -71.85 -26.94 62.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.849 0.357 . . . . 0.0 110.628 176.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.516 ' NH2' ' HB3' ' A' ' 109' ' ' GLU . 24.9 ttm-85 -64.51 -24.36 67.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.93 -177.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -110.57 2.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.976 0.417 . . . . 0.0 111.251 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 52.8 mttm -126.38 -104.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.257 -176.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 62.09 13.07 5.44 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.42 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.39 21.76 8.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.291 0.567 . . . . 0.0 109.876 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.529 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 4.1 mm-40 -93.05 177.84 5.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.103 -172.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -78.32 -59.09 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 170.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.978 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 21.2 mmmt -157.91 110.36 2.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 175.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 112' ' ' LEU . 51.6 mt -72.55 107.02 2.55 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.165 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 30.2 Cg_endo -93.53 113.19 0.23 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.46 2.773 . . . . 0.0 112.351 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.76 121.91 44.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -107.73 113.49 26.79 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.593 HG22 HD12 ' A' ' 91' ' ' LEU . 15.5 t -83.9 116.31 27.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.806 -178.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.503 ' HB ' HG12 ' A' ' 92' ' ' VAL . 50.1 t -117.3 116.79 53.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.016 -176.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.6 108.56 3.57 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.12 177.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.613 HD21 HD21 ' A' ' 30' ' ' LEU . 7.8 t-20 -99.18 175.08 6.02 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.57 ' O ' ' HG ' ' A' ' 132' ' ' LEU . 33.1 mmtp 65.6 24.87 11.68 Favored 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.569 0.543 . . . . 0.0 110.763 -175.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 t -62.13 -13.79 30.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.955 0.407 . . . . 0.0 110.697 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.53 -3.66 29.1 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.364 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.678 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.7 mt -77.48 -31.05 53.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 39.11 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.907 1.683 . . . . 0.0 115.208 -175.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 132' ' ' LEU . 8.8 mm-40 -82.52 -14.54 54.78 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.995 -0.441 . . . . 0.0 111.129 -171.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.678 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 68.3 mtt180 -82.68 -5.1 58.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.745 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -51.6 113.12 0.88 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.178 0.513 . . . . 0.0 110.825 -177.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -99.56 -27.2 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.192 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.4 p -98.5 123.49 50.01 Favored Pre-proline 0 C--N 1.324 -0.526 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.289 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.76 112.79 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.424 2.083 . . . . 0.0 111.106 175.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.3 p -77.28 -13.04 14.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.65 -171.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -68.29 -47.73 66.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.153 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.1 -26.6 65.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 110.139 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.47 84.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 173.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtp180 -70.47 -42.07 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 175.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.7 t -55.89 -46.39 78.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.647 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -59.7 -34.92 73.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.589 179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.36 -43.02 98.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.055 0.455 . . . . 0.0 110.213 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -65.43 -37.31 86.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.234 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.24 -39.62 78.38 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.138 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -82.61 -18.05 42.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.943 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.43 39.79 8.16 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.739 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.97 -174.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -112.63 156.56 22.51 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.988 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -127.89 126.29 41.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.015 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 23.4 t -133.47 132.93 57.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.498 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -86.47 137.76 32.29 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -128.06 140.92 51.67 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.018 0.437 . . . . 0.0 110.906 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.473 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 50.8 m -119.43 107.21 13.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.928 176.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.75 -9.05 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.029 0.442 . . . . 0.0 110.394 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.94 -31.31 64.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.3 t -145.89 11.99 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.268 0.556 . . . . 0.0 109.935 -176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' A' ' 162' ' ' ARG . 4.5 tmm_? 61.73 80.6 0.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.189 -174.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -124.6 120.11 30.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.717 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 70.76 7.17 6.12 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.13 0.894 . . . . 0.0 111.473 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.72 -48.78 79.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.497 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -60.72 -43.95 97.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.863 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HD2' ' HB2' ' A' ' 171' ' ' ASP . 2.5 tmmm? -56.2 -52.64 63.67 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.678 -172.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -58.98 -32.81 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -173.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -68.34 -46.81 69.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.736 0.303 . . . . 0.0 110.769 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.542 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 75.9 m-85 -69.34 -40.58 77.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.691 179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.479 ' HB2' ' HD2' ' A' ' 167' ' ' LYS . 21.5 t70 -59.08 -51.42 70.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.0 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.78 -36.57 81.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.655 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 64' ' ' ILE . 59.3 mtm -63.52 -29.69 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 30.9 mmm-85 -69.15 -40.17 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.08 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 29.0 mt-10 -64.13 -37.13 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.501 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.451 HG23 ' OE1' ' A' ' 87' ' ' GLU . 79.9 mt -56.26 -54.29 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -68.95 -35.81 77.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.064 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 41.4 m -73.55 -42.96 61.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.147 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.978 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -70.48 -33.42 71.23 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -173.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.8 -35.51 72.56 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.888 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm -79.29 -29.78 42.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.98 0.419 . . . . 0.0 109.872 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.0 m 67.44 -78.69 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.99 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 185' ' ' LYS . 32.6 mt-10 -141.33 123.8 15.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.991 0.424 . . . . 0.0 110.595 -177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -83.54 25.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.42 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 183' ' ' GLU . 55.1 mttp . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.038 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.886 -0.485 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.517 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 50.3 m -92.62 85.21 5.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.936 0.398 . . . . 0.0 110.875 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.713 ' HG3' ' H ' ' B' ' 394' ' ' THR . 6.0 pt-20 -82.07 -67.43 0.78 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.516 177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.713 ' H ' ' HG3' ' B' ' 393' ' ' GLU . 89.7 m -73.79 -33.42 64.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.047 0.451 . . . . 0.0 109.9 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.517 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 96.7 mt-30 -59.44 -28.25 66.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.294 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.83 -49.86 75.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.132 0.491 . . . . 0.0 110.073 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -68.22 -40.33 87.79 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.856 176.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.614 ' O ' HG13 ' B' ' 402' ' ' ILE . 30.7 mm -56.31 -52.84 47.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.591 0.23 . . . . 0.0 110.958 177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.4 mttt -59.44 -40.8 87.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.44 -177.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.83 -40.08 94.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.94 0.4 . . . . 0.0 110.806 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.8 mt-10 -76.45 -30.43 57.35 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.665 178.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.765 HG12 ' HG ' ' B' ' 439' ' ' LEU . 62.5 mt -61.45 -53.3 50.53 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.344 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' B' ' 404' ' ' ARG . 0.0 OUTLIER -62.71 -28.62 70.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.681 -179.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 40.0 ttm180 -62.44 -52.08 64.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.373 174.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.472 ' HB2' HD23 ' B' ' 436' ' ' LEU . 70.6 mm-40 -70.81 -32.69 69.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 71.7 mt-10 -61.31 -44.01 97.93 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -65.95 -45.83 80.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.614 ' O ' HD23 ' B' ' 412' ' ' LEU . 67.7 mt -59.7 -52.32 66.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.4 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 57.9 tp -64.9 -32.25 73.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.19 -45.16 94.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.39 175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -61.13 -49.27 77.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.014 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.614 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.2 mm? -55.74 -35.74 66.51 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.436 175.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -72.48 -42.57 64.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.448 ' HA ' HE21 ' B' ' 417' ' ' GLN . 47.2 ttt180 -76.06 -53.58 8.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.676 -168.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -68.82 -37.31 79.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.359 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.607 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 9.1 mp -68.85 -27.32 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.364 -174.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' B' ' 414' ' ' ARG . 38.8 mt-30 -60.7 -27.21 67.72 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.75 0.31 . . . . 0.0 110.318 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.4 13.1 42.27 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.252 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.37 3.05 87.21 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.036 176.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.1 mt -75.42 116.19 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -134.75 144.04 47.48 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.969 0.89 . . . . 0.0 112.24 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 17.1 t70 -149.89 171.73 16.31 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 175.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -33.36 68.98 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 118.746 0.703 . . . . 0.0 109.891 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.6 p -63.45 -37.34 86.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.516 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.647 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -69.61 -29.67 67.23 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.35 -174.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.647 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 0.9 OUTLIER -73.35 -49.39 27.6 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-O 121.406 0.622 . . . . 0.0 109.899 -178.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.4 mm-40 -65.81 -45.04 83.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.414 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.497 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.8 tpt180 -67.07 -32.39 73.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.592 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 2.0 mt -55.34 -51.02 68.12 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 123.357 0.41 . . . . 0.0 110.218 177.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' B' ' 433' ' ' GLN . 29.5 m95 -68.42 -42.71 78.54 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.793 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 53.7 mt-10 -58.22 -55.9 29.05 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 12.9 p -63.28 -34.07 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 110.588 -177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.8 tp60 -55.89 -51.09 68.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.919 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.424 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 14.3 mtp180 -64.85 -33.85 76.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.599 -178.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -69.73 -50.08 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.817 178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.574 HD11 ' HE2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.57 -41.57 81.35 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.5 t -71.81 -43.29 65.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.626 0.25 . . . . 0.0 111.268 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.79 -34.38 78.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.279 0.561 . . . . 0.0 109.869 177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.765 ' HG ' HG12 ' B' ' 402' ' ' ILE . 23.6 tp -70.12 -35.83 74.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.597 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.574 ' HE2' HD11 ' B' ' 436' ' ' LEU . 64.3 mttm -66.24 -35.51 80.6 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.291 0.567 . . . . 0.0 109.899 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -64.28 -41.74 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.507 174.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.1 mmmm -57.94 -32.92 68.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.152 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.611 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.28 -48.36 82.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.421 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -81.09 -3.01 50.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -99.3 -28.29 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.523 -177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.28 -177.119 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.49 ' N2 ' ' HD3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.503 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 12' ' ' LEU . 29.2 tt0 64.23 83.41 0.17 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.386 0.612 . . . . 0.0 111.389 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 m -124.3 -38.21 2.46 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.454 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 t -131.26 70.74 1.46 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.329 0.585 . . . . 0.0 109.607 177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 9' ' ' GLN . 91.2 mt -132.54 14.14 4.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.309 -176.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.1 9.03 32.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.333 0.587 . . . . 0.0 111.09 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.1 tp -129.52 127.69 41.29 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.43 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.76 152.24 50.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.377 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.856 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 1.8 tpmt? -128.18 131.66 48.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.918 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -127.75 137.3 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.927 0.394 . . . . 0.0 110.423 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.5 mt -121.88 123.44 69.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.012 0.434 . . . . 0.0 111.194 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.7 mmt -83.32 107.78 16.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.156 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.0 m -99.16 171.51 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.261 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.76 171.23 28.71 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.426 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 p -73.65 -57.68 3.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.235 0.541 . . . . 0.0 110.532 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -125.83 -61.28 0.16 Allowed Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.935 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . 155.37 66.03 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.824 175.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -60.97 -40.68 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' HA2' ' N7 ' ' A' ' 500' ' ' GNP . . . -159.59 56.81 0.33 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.694 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.935 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 10.6 mtpp -95.25 -74.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.768 0.318 . . . . 0.0 111.636 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HB3' HG21 ' A' ' 46' ' ' THR . 1.1 m -70.39 -16.01 62.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.696 -174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.09 -52.12 21.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.871 0.367 . . . . 0.0 110.654 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.69 -36.46 84.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.532 -177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 35' ' ' MET . 34.5 p -71.52 -41.31 69.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.473 -177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 40' ' ' VAL . 29.9 tp -62.35 -35.97 80.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.699 0.285 . . . . 0.0 110.819 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 44.4 mt-30 -66.65 -33.17 75.06 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.173 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.26 -27.46 62.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.372 0.606 . . . . 0.0 110.353 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 31' ' ' THR . 80.9 mtp -79.59 -61.26 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.938 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -101.95 -3.31 28.02 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' CG ' HH12 ' A' ' 162' ' ' ARG . 3.2 t70 67.42 16.43 10.01 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.484 0.659 . . . . 0.0 110.92 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.63 171.64 8.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.231 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -92.99 144.4 25.29 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 32' ' ' LEU . 5.7 p -70.1 127.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -178.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -96.36 -66.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 175.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -140.74 110.56 6.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.048 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -147.53 115.12 6.36 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 35.6 tt0 -94.73 -65.58 0.11 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.682 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 87.5 Cg_exo -43.45 -92.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 123.417 2.745 . . . . 0.0 114.979 -163.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.895 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 7.8 p 53.02 21.79 2.21 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -86.11 -41.71 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.72 21.34 8.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.649 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.895 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 2.4 m-20 -82.63 77.62 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.535 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 49.8 m -92.1 147.15 23.16 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -140.57 126.29 19.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.497 . . . . 0.0 110.946 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -75.18 104.51 5.78 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.408 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -105.42 125.28 50.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.044 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -102.0 118.63 37.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.463 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.1 m -129.46 152.77 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.189 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.3 p -143.4 128.1 14.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.058 0.456 . . . . 0.0 110.84 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.8 mt -108.97 96.11 6.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 35.42 75.0 0.06 Allowed 'General case' 0 N--CA 1.471 0.613 0 O-C-N 124.266 0.979 . . . . 0.0 112.488 -177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.22 -113.84 0.57 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 119.617 -1.278 . . . . 0.0 113.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.8 pt-20 -96.41 151.92 19.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.833 0.349 . . . . 0.0 111.571 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.99 112.42 12.4 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.12 142.69 17.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.192 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -113.17 121.29 44.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.554 -177.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -125.49 136.22 61.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.716 176.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.856 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 13.9 t0 -118.15 136.4 53.64 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 50' ' ' SER . 69.9 mt -108.27 119.71 58.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.653 -171.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.658 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 20.0 tp -106.19 136.18 46.35 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.723 172.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -120.11 115.91 24.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.835 0.35 . . . . 0.0 110.057 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.2 p -76.92 141.32 40.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.02 130.59 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.299 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.653 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.74 65.28 4.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.312 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -149.27 159.88 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.76 0.314 . . . . 0.0 111.049 -178.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.1 14.95 12.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.144 0.497 . . . . 0.0 110.625 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.9 m-20 -90.52 -77.3 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.394 0.616 . . . . 0.0 111.24 -177.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.523 ' H ' HD13 ' A' ' 72' ' ' LEU . 66.7 m-85 -76.49 75.26 3.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.366 -174.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.68 -13.54 62.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.91 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.63 -15.95 63.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.073 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.695 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 42.6 mt -94.74 -27.35 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.696 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.647 ' HE ' ' HG2' ' A' ' 110' ' ' GLN . 45.6 ttt180 -92.37 -65.77 0.98 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.493 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -74.43 -48.55 26.92 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.93 0.395 . . . . 0.0 111.313 -173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.91 HD22 ' HA ' ' A' ' 77' ' ' ALA . 55.7 m-80 -67.91 -31.88 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.695 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 1.7 m-85 -82.18 -14.6 55.39 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' HB2' HG21 ' A' ' 114' ' ' VAL . 7.1 m-30 -67.4 -16.97 64.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' CZ ' ' HG2' ' B' ' 427' ' ' GLU . 1.0 OUTLIER -52.91 -61.01 2.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.972 0.415 . . . . 0.0 111.138 -177.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.3 m -87.23 19.58 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.704 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.86 130.79 10.47 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.258 -0.973 . . . . 0.0 111.969 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 30.1 mt-10 -98.59 -70.49 0.72 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.74 132.0 10.95 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.962 -177.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.9 m-85 -119.86 121.34 38.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.052 0.453 . . . . 0.0 111.019 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.8 mt -93.75 115.07 27.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.2 179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 mt -92.88 106.27 18.27 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 126' ' ' VAL . 17.0 m -109.74 132.22 58.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.221 0.534 . . . . 0.0 112.047 -173.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -142.05 152.18 43.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.518 -0.764 . . . . 0.0 108.956 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.3 t -101.15 143.3 31.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.711 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -69.55 -1.47 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.331 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.475 ' CG2' HD22 ' A' ' 132' ' ' LEU . 22.3 p -87.54 -25.87 23.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.154 0.502 . . . . 0.0 110.196 173.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -112.19 102.08 10.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 -176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 101' ' ' PHE . 59.9 t-80 -74.7 -24.52 58.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.325 -177.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.23 -47.04 86.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.198 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.9 m -67.69 -20.04 65.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.21 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 45.4 t80 -70.67 -47.5 59.6 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 174.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -64.96 -31.89 73.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.373 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.06 -15.31 63.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.574 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.521 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.0 p -59.03 -35.57 73.53 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.079 0.466 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -38.26 83.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.047 177.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -65.08 -43.48 92.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.681 178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.1 m-85 -57.41 -48.07 80.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.333 178.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -55.9 -53.34 58.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.687 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.87 -32.93 73.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.438 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.647 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 7.0 tp-100 -68.61 -30.83 69.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 178.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.2 mt -75.12 -43.93 44.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.392 177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.59 -21.99 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.663 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 13.4 ttt85 -51.99 -43.96 63.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.957 174.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 83' ' ' PHE . 11.6 m -99.15 -9.02 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HB3' ' HG2' ' A' ' 118' ' ' GLU . 62.1 mttm -120.92 -99.78 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.909 -177.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.39 -69.65 0.09 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.032 0.933 . . . . 0.0 112.594 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.9 22.1 5.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -170.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -85.65 -78.65 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.466 -179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -147.39 -95.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.024 -0.423 . . . . 0.0 111.225 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.603 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 75.4 mmtt -141.15 128.16 20.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 52.4 mt -104.83 99.32 18.27 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.373 -175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 14.9 Cg_exo -68.46 104.35 1.09 Allowed 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.593 2.195 . . . . 0.0 111.703 177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 89' ' ' PHE . 50.3 mt -100.44 143.01 31.12 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.485 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.674 HD13 ' HG3' ' A' ' 153' ' ' GLN . 7.0 tp -139.62 119.3 13.19 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.029 0.442 . . . . 0.0 110.054 176.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.2 t -87.57 114.54 26.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.751 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.789 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.1 t -113.06 117.67 55.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -175.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.3 101.6 2.45 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 174.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.572 HD22 ' HB ' ' A' ' 92' ' ' VAL . 7.6 p30 -89.49 146.6 24.51 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.4 0.619 . . . . 0.0 111.703 -175.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.599 ' HB2' ' C6 ' ' A' ' 500' ' ' GNP . 77.1 tttt 60.36 73.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.322 -1.308 . . . . 0.0 111.73 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 p -89.8 7.19 38.25 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.432 0.634 . . . . 0.0 109.365 171.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -69.61 -19.55 63.64 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -71.76 -49.4 39.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.126 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.88 -71.53 0.09 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.645 0.778 . . . . 0.0 112.765 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.876 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.6 pt-20 -56.54 -36.17 68.95 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -171.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.876 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 94.6 mtt180 -96.19 27.42 3.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.895 -169.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.664 HH11 ' HB ' ' A' ' 140' ' ' VAL . 14.4 ttm180 -69.44 112.42 5.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.949 0.405 . . . . 0.0 109.933 177.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -92.98 -26.31 17.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.067 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.3 p -106.31 117.89 56.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.002 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.663 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 38.0 Cg_exo -59.72 111.49 0.98 Allowed 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.112 1.875 . . . . 0.0 109.584 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.664 ' HB ' HH11 ' A' ' 136' ' ' ARG . 2.9 p -67.47 -10.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -167.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.22 -30.13 69.97 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.298 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.8 pt-20 -75.23 -22.66 57.74 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.648 177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -73.7 -41.96 61.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.08 174.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.5 mtp180 -63.75 -34.85 78.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.995 175.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.5 t -55.91 -45.46 78.69 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.625 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 67.2 mmtt -69.98 -36.19 75.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.588 0.233 . . . . 0.0 111.223 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.3 88.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.993 0.425 . . . . 0.0 110.277 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.34 -32.85 70.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.83 -42.95 99.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.014 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -92.31 -13.4 30.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 -176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 83.52 37.23 12.35 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.576 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 24.7 m -119.67 179.12 2.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.498 0.189 . . . . 0.0 110.629 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.674 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.4 pt20 -99.4 158.16 15.92 Favored 'General case' 0 N--CA 1.438 -1.04 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.531 176.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -127.47 125.86 41.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.36 126.36 58.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.577 -177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.24 132.66 33.83 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 128' ' ' ASN . 20.7 p -116.9 130.08 56.48 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.063 0.459 . . . . 0.0 111.134 -175.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.6 m -105.57 114.38 28.51 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.642 ' HB3' ' N1 ' ' A' ' 500' ' ' GNP . . . -88.03 -13.84 40.56 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.407 -173.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -77.68 -40.0 43.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.093 0.473 . . . . 0.0 110.213 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.8 p -100.43 -8.47 23.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.103 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.49 HH12 ' CG ' ' A' ' 37' ' ' ASP . 61.4 mtm180 58.99 70.7 0.63 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.774 -173.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.6 122.36 41.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.504 178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 73.96 9.3 4.72 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.988 0.805 . . . . 0.0 111.347 177.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -67.63 -55.49 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.47 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.0 -35.33 74.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.246 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -56.96 -53.54 56.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.514 -172.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.01 -28.75 29.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -74.78 -48.84 23.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.922 0.391 . . . . 0.0 110.774 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 45.1 m-85 -70.04 -45.6 66.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.459 -176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 -46.7 82.08 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.283 0.365 . . . . 0.0 110.963 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 176' ' ' ILE . 48.0 tp -61.5 -46.05 91.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 59.2 mtm -61.66 -30.55 70.8 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.575 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 15.6 mmt180 -65.53 -50.17 66.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.934 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 16.2 mt-10 -61.1 -36.09 78.75 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.366 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.586 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.6 mt -55.47 -40.91 60.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 123.207 0.317 . . . . 0.0 110.546 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 12' ' ' LEU . 54.7 mtt180 -61.21 -44.46 97.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.088 0.47 . . . . 0.0 110.313 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 18.6 m -66.14 -33.13 75.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.518 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 67.9 mmtt -67.11 -48.52 67.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.631 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.586 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 23.5 mtpp -67.53 -27.6 67.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.181 -173.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.9 mtm -85.76 -29.94 23.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.184 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.0 t 64.18 -174.92 0.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 50.21 70.63 0.48 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.757 0.789 . . . . 0.0 110.397 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -99.92 27.96 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.655 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 86.1 mttt . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.136 176.785 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 20.1 m -80.42 -43.29 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 51.27 -93.38 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 O-C-N 124.067 0.854 . . . . 0.0 112.033 177.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.4 ' O ' HG12 ' B' ' 398' ' ' ILE . 24.0 m -69.32 -33.76 73.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.849 0.357 . . . . 0.0 111.076 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.28 -28.9 68.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.474 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.72 -55.61 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 -177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.2 -40.43 94.86 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.957 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.44 ' O ' HG13 ' B' ' 402' ' ' ILE . 36.3 mm -56.85 -52.03 60.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.67 0.271 . . . . 0.0 110.769 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.11 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.937 -176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -62.15 -39.49 92.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.78 0.324 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.68 -34.07 64.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.621 177.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.651 ' HA ' HD23 ' B' ' 439' ' ' LEU . 40.8 mt -59.47 -53.36 49.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.808 177.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -64.78 -29.65 70.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.874 0.368 . . . . 0.0 110.531 -178.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 51.1 ttp180 -63.91 -46.02 86.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.221 174.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -71.9 -38.48 69.95 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.807 0.337 . . . . 0.0 110.587 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -63.17 -34.08 76.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.988 178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -72.94 -38.91 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -63.21 -41.93 99.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.91 0.386 . . . . 0.0 110.423 176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.12 -43.5 91.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.13 -42.85 77.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.394 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 18.2 t -62.27 -55.17 30.97 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.4 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.3 mm? -54.51 -39.3 67.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.003 0.43 . . . . 0.0 110.849 176.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.417 ' HD2' HD21 ' B' ' 429' ' ' LEU . 18.1 m170 -62.02 -44.56 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -77.11 -48.47 17.66 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.84 -44.86 91.05 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 111.21 -177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.651 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -74.9 -26.48 59.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.237 -176.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -62.26 -25.21 67.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.92 -7.75 81.65 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.576 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 111.06 -17.35 27.07 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.862 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.651 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 49.1 mt -83.72 116.45 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.556 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -147.72 145.94 29.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.587 0.708 . . . . 0.0 110.343 175.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.641 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.2 t70 -129.98 161.28 31.29 Favored 'General case' 0 C--N 1.308 -1.214 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.6 mm? -60.82 -33.81 73.59 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.343 -177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.5 m -65.53 -32.11 73.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.56 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.641 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 59.7 mmtt -69.24 -45.97 68.47 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.006 -176.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -63.66 -38.62 91.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.241 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 31.5 mt-10 -66.17 -45.5 80.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.219 174.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.646 ' O ' HG23 ' B' ' 432' ' ' VAL . 25.1 tpt180 -65.97 -34.94 79.26 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.466 -177.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' B' ' 429' ' ' LEU . 3.8 mt -57.24 -51.83 67.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.883 177.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.658 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 55.7 m95 -63.92 -30.98 72.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.91 176.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 23.4 mt-10 -63.32 -54.69 33.03 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.22 175.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.646 HG23 ' O ' ' B' ' 428' ' ' ARG . 9.9 t -58.22 -37.18 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 29.2 tp60 -57.27 -54.02 51.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.154 -1.384 . . . . 0.0 111.331 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.609 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.06 -25.73 62.76 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.873 -179.205 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -68.1 -50.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -40.83 94.25 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.403 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.609 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.5 t -68.72 -38.46 80.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.772 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.81 -34.76 74.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.362 0.601 . . . . 0.0 109.82 175.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.651 HD23 ' HA ' ' B' ' 402' ' ' ILE . 5.3 tp -67.23 -39.62 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.027 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -65.27 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.084 0.468 . . . . 0.0 109.79 175.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -66.88 -41.64 86.9 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -59.97 -38.67 83.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.891 175.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.535 ' HB2' HD11 ' B' ' 402' ' ' ILE . 59.2 tp -62.43 -49.97 73.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.002 0.429 . . . . 0.0 110.407 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -70.43 -9.55 56.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.32 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -91.15 -17.06 26.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.011 0.434 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.568 -0.729 . . . . 0.0 111.048 -178.368 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.714 ' O1B' ' HA3' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . 0.409 ' O ' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -93.57 83.59 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -113.84 -68.84 0.9 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.444 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.4 t -123.29 51.87 1.43 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.249 0.547 . . . . 0.0 109.59 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.555 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 81.6 mt -86.02 -21.05 27.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.553 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.7 6.53 47.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.208 0.527 . . . . 0.0 111.319 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 tp -128.57 121.66 29.25 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.714 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -134.46 128.69 33.97 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.603 ' HD2' ' NH2' ' B' ' 434' ' ' ARG . 30.8 mmtp -109.66 120.19 41.72 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.475 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.97 132.06 71.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.49 0.662 . . . . 0.0 110.762 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.6 mt -119.77 122.06 67.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.962 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 50.4 ttm -93.61 123.45 36.94 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 91' ' ' LEU . 19.9 m -95.45 165.58 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.116 0.484 . . . . 0.0 111.125 -173.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.83 121.24 0.86 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.644 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 1.5 p -70.47 -60.52 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.578 0.222 . . . . 0.0 111.21 -176.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.99 -48.21 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.95 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.596 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 159.94 -53.15 0.36 Allowed Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.52 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 93' ' ' PHE . 24.4 m 44.33 30.28 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 177.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.12 12.24 60.37 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 173.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.596 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 60.7 pttt -65.43 -47.48 76.05 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.985 0.893 . . . . 0.0 112.237 -177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 m -63.01 -18.78 63.69 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.8 -39.47 66.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.7 0.286 . . . . 0.0 110.926 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.482 HD11 HD22 ' A' ' 128' ' ' ASN . 89.6 mt -73.68 -41.17 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.447 -174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -61.62 -44.74 96.44 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' HG22 ' A' ' 40' ' ' VAL . 3.9 mm? -67.66 -26.7 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.96 HE22 ' HA ' ' A' ' 39' ' ' PHE . 73.5 mm-40 -61.84 -47.65 84.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.3 0.572 . . . . 0.0 109.815 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -71.82 -18.85 62.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.81 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 89.2 mtp -93.62 -62.41 1.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.85 -177.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -104.48 -12.45 16.5 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 t70 70.2 21.76 5.79 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 0.0 110.963 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.41 154.02 33.13 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.139 -0.351 . . . . 0.0 110.85 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.96 ' HA ' HE22 ' A' ' 33' ' ' GLN . 51.0 t80 -80.06 124.46 28.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 173.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG22 ' HB2' ' A' ' 32' ' ' LEU . 13.8 t -54.23 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 O-C-N 123.951 0.782 . . . . 0.0 112.501 -165.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.11 -47.25 10.36 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.974 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -149.07 97.28 2.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.015 -177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -168.97 91.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.76 ' H ' ' HD3' ' A' ' 45' ' ' PRO . 4.6 mm-40 -118.93 -7.58 0.08 OUTLIER Pre-proline 0 CA--C 1.548 0.887 0 N-CA-C 115.959 1.837 . . . . 0.0 115.959 -174.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.76 ' HD3' ' H ' ' A' ' 44' ' ' GLU . 3.4 Cg_exo -80.47 36.12 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.222 0 CA-C-N 122.185 1.816 . . . . 0.0 113.056 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 p -87.22 58.44 5.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.372 -0.531 . . . . 0.0 112.0 -175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -86.06 -58.92 2.45 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 167.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -127.73 -36.0 2.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.616 173.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -55.14 116.41 2.78 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.78 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.6 p -153.85 150.71 28.7 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.464 -174.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.503 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 15.9 m-85 -124.7 148.37 48.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -92.0 146.44 23.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.436 0.636 . . . . 0.0 111.3 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.57 142.59 32.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.685 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HD3' ' OE2' ' A' ' 61' ' ' GLU . 35.2 ttmt -106.77 118.12 35.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.224 174.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.0 m -129.94 157.46 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.068 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -144.05 129.27 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.381 0.61 . . . . 0.0 110.794 175.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.7 98.27 7.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.544 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 71.77 -39.1 0.44 Allowed 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.061 0.85 . . . . 0.0 113.201 176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.19 -116.11 3.87 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.685 -0.769 . . . . 0.0 114.723 -171.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.3 pt-20 -107.1 163.89 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.369 -173.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' OE2' ' HD3' ' A' ' 54' ' ' LYS . 62.8 mt-10 -63.43 122.48 16.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.38 0.609 . . . . 0.0 111.112 -178.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 t -106.64 147.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.507 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -113.21 137.72 51.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.166 0.507 . . . . 0.0 110.943 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -144.9 117.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -97.1 141.72 29.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.007 0.432 . . . . 0.0 110.562 176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.1 mm -108.38 122.59 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.274 -174.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 HD22 ' CH2' ' B' ' 430' ' ' TRP . 43.7 tp -102.44 115.83 31.38 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 174.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -72.27 -35.45 68.74 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.265 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.9 m 71.68 152.62 0.12 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.711 171.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -123.78 108.21 12.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 172.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.644 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -91.3 42.84 2.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.916 -169.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -119.15 179.18 4.25 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.051 0.425 . . . . 0.0 110.856 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER -87.66 -29.1 21.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.753 -171.239 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -68.71 0.24 Allowed 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.923 0.868 . . . . 0.0 109.976 176.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.444 ' HA ' ' CD ' ' B' ' 417' ' ' GLN . 70.0 m-85 -83.93 52.59 2.33 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.256 -1.338 . . . . 0.0 110.412 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -18.99 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.66 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.582 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.09 -28.14 69.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.305 177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.802 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 3.5 mt -86.91 -23.07 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.293 0.568 . . . . 0.0 109.956 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -92.53 -65.37 1.01 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.677 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -76.89 -54.43 6.6 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 111.339 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 54.5 m-20 -69.11 -38.56 78.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.467 -169.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.802 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.5 m-85 -67.39 -22.53 65.55 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -174.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.626 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.9 m-30 -72.05 -6.14 40.25 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.464 HH21 ' CD ' ' B' ' 427' ' ' GLU . 0.0 OUTLIER -59.93 -65.32 0.7 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -178.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.537 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 1.4 t -89.09 30.85 0.91 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.29 0.567 . . . . 0.0 111.403 -171.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.13 163.91 18.2 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.564 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 62.8 mt-10 -115.53 -75.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 117.384 0.592 . . . . 0.0 110.462 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.58 139.75 14.67 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.873 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -117.37 132.88 56.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.541 . . . . 0.0 111.46 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.9 mt -102.54 111.79 24.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.93 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.57 HD12 HG22 ' A' ' 125' ' ' VAL . 24.9 mt -90.49 106.11 18.27 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.689 HG12 ' HB ' ' A' ' 126' ' ' VAL . 35.1 m -113.14 146.8 17.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.999 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' HG21 ' A' ' 25' ' ' VAL . 47.2 p90 -156.24 145.59 20.71 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 176.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.4 m -77.15 130.87 37.9 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.522 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -71.99 3.34 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -172.119 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.499 ' CG2' HD13 ' A' ' 132' ' ' LEU . 15.3 p -90.85 -26.91 19.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.212 0.529 . . . . 0.0 110.537 171.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -96.69 94.19 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.108 -177.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.11 -24.59 65.04 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.9 -46.08 85.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.904 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -68.53 -25.07 64.75 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.506 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 73.8 t80 -69.56 -46.26 66.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.216 176.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.3 m -64.8 -27.83 69.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.325 0.583 . . . . 0.0 110.331 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.96 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.131 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.498 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 49.4 p -61.88 -33.4 74.13 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.884 0.373 . . . . 0.0 110.613 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.02 90.85 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.865 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.0 tp10 -61.52 -41.32 97.15 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.054 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.0 m-85 -58.49 -49.73 76.3 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -63.6 -48.38 77.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.817 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.61 -28.47 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.657 0.265 . . . . 0.0 111.019 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.49 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 0.0 OUTLIER -65.19 -41.88 94.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 109.848 175.163 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 107' ' ' PHE . 72.7 mt -68.71 -43.23 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.947 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.34 -18.27 65.09 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.872 0.368 . . . . 0.0 110.611 175.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 110' ' ' GLN . 41.0 ttt85 -75.79 -47.12 27.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.032 176.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 83' ' ' PHE . 24.9 m -84.76 -19.94 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.091 -174.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -108.25 -81.67 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.686 0.279 . . . . 0.0 111.127 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.77 -60.96 0.38 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.211 -0.904 . . . . 0.0 113.095 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -112.47 77.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.059 0.457 . . . . 0.0 111.763 -171.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -154.51 -165.83 2.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.169 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -62.61 -86.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -173.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -136.44 144.35 44.38 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.899 -174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.6 mt -120.75 98.79 47.72 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.473 179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.4 Cg_endo -86.94 131.44 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.346 2.698 . . . . 0.0 112.684 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.4 mp -126.31 122.67 36.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.31 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.9 tp -111.58 115.64 29.5 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.57 HG22 HD12 ' A' ' 91' ' ' LEU . 11.1 t -84.06 117.15 29.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.911 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.689 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.4 t -118.08 117.84 56.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.838 -174.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.437 ' HA3' ' OE2' ' A' ' 156' ' ' GLU . . . -79.49 127.55 8.05 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 174.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.482 HD22 HD11 ' A' ' 30' ' ' LEU . 17.4 t-20 -119.43 163.77 16.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.941 0.371 . . . . 0.0 110.5 -176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 72.9 mmtt 70.24 22.0 5.65 Favored 'General case' 0 CA--C 1.517 -0.314 0 O-C-N 123.579 0.549 . . . . 0.0 110.398 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.0 m -63.18 -1.06 0.89 Allowed 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.141 0.496 . . . . 0.0 111.399 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.95 -13.49 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.348 0.594 . . . . 0.0 109.736 171.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.0 mt -89.76 54.26 2.81 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.296 176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.63 -26.87 68.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.75 0.309 . . . . 0.0 111.591 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -98.48 0.28 44.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.986 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 82.4 mtp180 -124.21 11.7 8.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.741 -177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -59.56 113.24 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.995 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -99.58 -27.69 13.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.493 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.455 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 10.4 p -101.97 121.1 51.89 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.822 177.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 15.7 Cg_exo -68.23 124.17 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.555 2.17 . . . . 0.0 112.126 179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.497 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.9 OUTLIER -50.68 -29.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.711 175.397 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.76 -54.52 45.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.389 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.8 -29.06 65.14 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.834 0.35 . . . . 0.0 110.475 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.481 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -66.01 -49.41 67.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 -65.28 -34.1 77.56 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.567 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -54.99 -48.39 73.38 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.338 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.6 mmtm -63.16 -39.99 96.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.72 -45.22 95.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.023 0.44 . . . . 0.0 110.72 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.48 -37.66 88.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.578 0.704 . . . . 0.0 109.838 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.37 -42.78 99.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.226 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -92.24 -3.4 55.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.51 44.38 50.57 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.352 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 23.0 m -130.61 -175.55 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.643 0.259 . . . . 0.0 110.906 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.755 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.9 pm0 -104.44 141.01 37.1 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.858 179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.516 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 81.9 t80 -116.54 114.41 24.12 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.3 135.76 63.0 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.98 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.437 ' OE2' ' HA3' ' A' ' 127' ' ' GLY . 23.3 mm-40 -85.37 133.17 34.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.613 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.5 p -125.05 128.53 48.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.638 0.733 . . . . 0.0 111.222 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.4 m -98.51 136.28 38.85 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.656 ' HB3' ' N2 ' ' A' ' 500' ' ' GNP . . . -109.09 -21.04 12.79 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.793 -172.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.532 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 21.9 tptm -84.18 -39.92 18.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.4 p -90.82 -18.15 25.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 64.33 86.53 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.996 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.99 134.01 34.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.235 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 66.38 13.37 9.19 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.653 0.781 . . . . 0.0 111.777 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.1 t -68.09 -53.36 30.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.787 -177.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.54 -33.98 77.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.269 0.557 . . . . 0.0 110.16 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -53.64 -52.62 59.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.023 -175.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.2 m -61.98 -27.43 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -74.91 -47.28 30.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.657 177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -69.4 -43.17 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.396 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.8 -42.81 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 111.381 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 176' ' ' ILE . 45.7 tp -63.76 -42.4 97.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.251 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.8 mtm -64.91 -30.88 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 13.0 mmt180 -64.47 -42.98 95.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.059 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 12.2 mt-10 -61.44 -41.05 96.58 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.769 176.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.75 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 63.3 mt -58.33 -26.92 31.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.917 0.389 . . . . 0.0 110.796 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.555 ' NH1' ' HB3' ' A' ' 12' ' ' LEU . 32.3 mmt180 -62.76 -48.97 76.87 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -63.43 -35.95 82.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.679 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.75 ' HG2' ' HA ' ' A' ' 176' ' ' ILE . 38.9 mmtt -64.64 -46.85 80.76 Favored 'General case' 0 C--N 1.334 -0.073 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.5 mmtt -65.31 -46.4 80.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.281 -177.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt -64.53 -40.81 96.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 61.9 m 65.6 -67.76 0.13 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.898 0.749 . . . . 0.0 111.928 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -116.72 109.01 16.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.048 0.451 . . . . 0.0 110.135 -177.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -98.51 -25.39 14.78 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.883 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.3 pttp . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.554 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 27.2 m -51.42 -39.22 56.86 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -54.56 -53.47 54.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.971 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.596 ' O ' HG12 ' B' ' 398' ' ' ILE . 22.8 m -75.05 -38.12 61.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 -177.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 57.2 mt-30 -61.43 -29.56 70.02 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.86 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.17 -50.08 72.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 110.465 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.99 -34.4 70.8 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.872 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.596 HG12 ' O ' ' B' ' 394' ' ' THR . 39.6 mm -59.46 -53.54 46.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.785 0.326 . . . . 0.0 110.326 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 99.2 mttt -57.87 -44.37 86.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.687 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.8 -40.63 93.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 22.3 tt0 -75.44 -37.01 60.63 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.269 -179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.681 HG12 ' HB3' ' B' ' 439' ' ' LEU . 75.4 mt -53.4 -52.75 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.27 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -61.16 -35.84 78.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.605 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.52 -42.65 99.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.538 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.725 HE21 HG23 ' B' ' 432' ' ' VAL . 16.1 mm100 -76.27 -34.54 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 62.6 mt-10 -63.32 -38.95 93.16 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 174.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -64.0 -46.22 85.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.525 ' O ' HD23 ' B' ' 412' ' ' LEU . 28.3 mt -57.68 -45.67 85.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.716 177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.679 HD21 ' HB1' ' A' ' 48' ' ' ALA . 20.9 tp -61.24 -47.62 85.22 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.382 0.61 . . . . 0.0 109.471 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.72 -44.11 85.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.798 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 80.0 p -60.74 -51.97 67.11 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.931 -178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.9 -44.54 78.32 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 120.722 0.296 . . . . 0.0 110.859 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.414 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 2.6 m-70 -57.84 -49.99 74.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.384 -177.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -77.01 -30.52 55.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.726 -174.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -69.98 -49.49 51.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.989 0.423 . . . . 0.0 110.166 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.552 HD12 HD11 ' B' ' 429' ' ' LEU . 69.7 mt -65.49 -36.63 84.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.204 0.526 . . . . 0.0 110.784 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 6.8 mt-30 -70.99 -9.28 57.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.996 177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.03 -12.76 80.57 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 116.113 -0.494 . . . . 0.0 112.027 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 117.24 32.49 1.5 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.926 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 66.7 mt -137.85 144.17 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.487 ' HA ' HD22 ' B' ' 416' ' ' LEU . 2.3 pttm -161.12 150.2 16.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.187 0.518 . . . . 0.0 110.872 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.609 ' HB3' ' HE2' ' B' ' 425' ' ' LYS . 18.3 t70 -149.49 158.02 43.8 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 427' ' ' GLU . 8.4 mp -58.22 -30.12 66.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 118.087 0.403 . . . . 0.0 111.27 -176.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.6 m -67.19 -34.34 77.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HE2' ' HB3' ' B' ' 422' ' ' ASP . 39.1 mmtt -72.98 -43.55 62.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.016 0.436 . . . . 0.0 110.197 -176.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' B' ' 422' ' ' ASP . 0.5 OUTLIER -58.41 -47.18 84.77 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.872 -178.447 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.3 mm-40 -65.51 -38.26 89.19 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.255 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.631 ' O ' HG12 ' B' ' 432' ' ' VAL . 9.0 mmt180 -60.52 -38.94 86.02 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.683 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.552 HD11 HD12 ' B' ' 416' ' ' LEU . 16.5 mt -55.76 -48.58 75.03 Favored 'General case' 0 CA--C 1.514 -0.433 0 O-C-N 123.441 0.463 . . . . 0.0 110.562 175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 85' ' ' SER . 89.5 m95 -71.75 -37.71 70.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.957 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 52.9 mt-10 -59.94 -54.9 40.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.142 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.725 HG23 HE21 ' B' ' 405' ' ' GLN . 7.6 p -63.78 -33.61 62.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.355 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 24.1 tp60 -56.37 -51.41 68.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.563 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.603 ' NH2' ' HD2' ' A' ' 16' ' ' LYS . 4.5 mpt_? -68.8 -31.88 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.735 0.302 . . . . 0.0 111.262 -177.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 39.5 mt -67.56 -47.63 79.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.173 0.511 . . . . 0.0 109.771 175.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.7 tm? -59.07 -45.17 91.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.503 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 6.6 t -69.28 -34.46 74.76 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.084 0.468 . . . . 0.0 110.681 -177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.47 -39.6 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.689 HD12 ' HD3' ' B' ' 442' ' ' LYS . 1.6 mp -61.43 -37.25 82.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.682 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 58.8 mmtt -58.31 -42.71 87.29 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.659 0.742 . . . . 0.0 109.462 176.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -63.79 -43.05 97.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.827 177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.689 ' HD3' HD12 ' B' ' 439' ' ' LEU . 28.5 mtpp -58.27 -35.77 72.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.242 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 37.7 tp -63.32 -39.75 95.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.847 0.356 . . . . 0.0 110.561 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 41.2 mtm180 -82.12 -6.2 59.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.564 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -90.78 -35.51 14.81 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.395 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.656 ' N2 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 67.44 -72.9 0.09 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.312 0.645 . . . . 0.0 110.981 -179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.0 t -175.74 178.97 1.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.8 p -75.02 105.95 6.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -55.39 32.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.021 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 61' ' ' GLU . . . 63.38 3.2 1.33 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 171.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.9 tp -129.57 112.12 13.4 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CD2' HG13 ' A' ' 62' ' ' VAL . 27.6 m-70 -136.43 138.25 41.29 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -176.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 70.6 mmtt -120.93 120.03 34.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.512 0.196 . . . . 0.0 110.888 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.5 t -124.85 123.5 65.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.951 0.405 . . . . 0.0 110.837 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.8 mt -109.27 135.53 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.496 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.48 ' SD ' HD12 ' A' ' 90' ' ' LEU . 92.4 mmm -97.6 114.4 26.32 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.0 m -107.82 162.87 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.697 -179.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 168.63 165.94 26.86 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 p -71.26 95.93 1.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.459 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' H ' ' HA3' ' A' ' 71' ' ' GLY . . . 71.57 -75.19 0.7 Allowed Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.724 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.27 80.71 0.07 OUTLIER Glycine 0 N--CA 1.441 -0.982 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.2 t -58.43 -67.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.159 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.542 ' HA3' ' H8 ' ' A' ' 500' ' ' GNP . . . -164.11 26.22 0.2 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.479 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.5 pttp -78.39 -15.66 58.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.664 -0.268 . . . . 0.0 111.428 -175.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.461 ' O ' HD23 ' A' ' 32' ' ' LEU . 26.6 m -78.92 -29.22 44.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.948 174.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.25 -44.04 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.571 HD23 ' HB2' ' A' ' 159' ' ' ALA . 95.4 mt -66.39 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.88 -176.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 66' ' ' ILE . 22.1 p -68.02 -45.57 73.64 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.335 -177.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 28' ' ' SER . 4.6 mm? -63.18 -31.21 72.29 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.533 0.206 . . . . 0.0 110.986 176.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -61.68 -56.22 22.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.887 174.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -67.99 -36.94 80.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.259 0.552 . . . . 0.0 111.285 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 53' ' ' LYS . 8.2 tpp -69.7 -49.3 54.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.765 -176.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 47.4 m-85 -106.84 -81.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.684 -177.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 35.1 t70 164.45 -29.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 O-C-N 124.0 0.812 . . . . 0.0 110.358 -177.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.09 165.63 12.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.835 -172.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -88.1 125.75 34.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.068 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -79.91 150.64 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.336 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -91.11 19.38 5.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.257 0.551 . . . . 0.0 109.924 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' OD2' ' N3B' ' A' ' 500' ' ' GNP . 24.9 t70 67.59 109.34 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.424 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 97.5 m-85 -72.42 159.41 34.03 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.208 175.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 44.9 mt-10 -77.5 -49.01 2.28 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.849 167.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.4 Cg_endo -60.52 -108.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.364 1.372 0 C-N-CA 123.001 2.468 . . . . 0.0 114.656 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.492 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 23.4 p 53.62 33.49 16.59 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.604 0.761 . . . . 0.0 111.404 -173.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.07 -56.23 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.297 175.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.43 18.93 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.697 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD2' ' HB2' ' A' ' 45' ' ' PRO . 22.1 m-20 -85.89 95.49 9.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.03 -175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.1 p -104.09 145.19 30.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.1 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -131.06 145.73 52.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.624 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 33.0 ttm180 -101.75 113.69 27.09 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.095 0.474 . . . . 0.0 110.938 -177.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.553 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 51.6 tptt -98.14 121.41 40.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.864 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 62' ' ' VAL . 34.7 ttmt -90.72 118.2 29.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.263 0.554 . . . . 0.0 110.924 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -126.83 168.05 20.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 1.5 p -134.35 113.54 17.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 174.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.5 HD21 ' CD1' ' A' ' 170' ' ' PHE . 96.7 mt -88.92 99.09 12.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.895 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.6 t70 70.2 -47.67 0.63 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.859 0.864 . . . . 0.0 112.243 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.47 32.07 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.26 -0.972 . . . . 0.0 113.924 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -127.46 119.12 25.4 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 170.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 32.3 mt-10 -70.11 111.72 5.96 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 173.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' GLU . 20.4 t -103.88 137.94 30.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.09 -166.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 46.7 mt-30 -112.93 116.17 29.57 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 53' ' ' LYS . 10.9 tt -118.52 115.53 48.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.315 0.579 . . . . 0.0 110.397 -178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.17 127.18 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.582 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.504 HG21 ' CG2' ' A' ' 31' ' ' THR . 48.5 mm -107.93 127.93 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.805 0.336 . . . . 0.0 111.298 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.2 mt -111.6 118.84 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.476 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 32.2 t0 -90.22 86.55 6.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -68.34 138.69 55.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.453 -172.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.3 113.46 8.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.509 173.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.417 ' HA3' ' H ' ' A' ' 23' ' ' GLY . . . -86.24 76.21 2.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.85 -175.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.6 pt? -149.16 178.51 8.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.89 -29.85 68.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.342 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 6.0 m-20 -88.48 -164.41 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.12 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' HD12 ' A' ' 78' ' ' ILE . 14.5 m-85 43.57 42.61 4.15 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.492 0.663 . . . . 0.0 111.975 -176.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -14.66 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.326 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.1 -14.19 61.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.785 177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 19.3 mt -97.53 -37.97 7.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.373 178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -92.29 -65.31 1.01 Allowed 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.654 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.482 ' OD1' ' HD3' ' B' ' 421' ' ' LYS . 4.6 t70 -60.06 -50.73 72.54 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 111.518 -176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 34.6 m-80 -73.92 -25.99 60.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.852 -171.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 4.0 m-85 -88.31 -36.88 16.41 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.482 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 6.7 m-30 -57.49 -29.01 63.93 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.362 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -48.8 -65.91 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.856 178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.474 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 4.8 t -87.82 24.74 1.68 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.45 0.643 . . . . 0.0 110.019 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.96 -177.84 51.94 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.5 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.582 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 36.3 tt0 -143.85 -79.27 0.2 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.06 147.95 16.35 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.855 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD12 ' A' ' 18' ' ' ILE . 81.7 m-85 -134.01 133.96 41.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.981 0.391 . . . . 0.0 111.208 -176.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 124' ' ' LEU . 81.2 mt -108.79 122.02 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 177.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 mp -95.14 107.78 19.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.262 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.692 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -110.47 126.43 67.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.131 0.491 . . . . 0.0 110.516 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -138.59 155.38 48.39 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -97.16 141.14 30.65 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.735 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.63 -4.31 6.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.878 0.37 . . . . 0.0 111.337 -178.336 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.4 p -88.06 -42.2 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.788 173.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -86.37 95.83 9.8 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.883 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -64.34 -24.17 67.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 -176.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.19 -37.93 89.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.301 176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 m -64.9 -31.85 73.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.521 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.63 -40.2 88.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.637 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.7 m -73.75 -33.51 64.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.077 0.465 . . . . 0.0 110.424 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -23.1 67.18 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.192 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.481 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 76.8 p -56.7 -37.57 71.11 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.83 95.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.551 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 20.3 tt0 -61.62 -42.98 99.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.266 178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.615 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.6 m-85 -57.77 -51.4 69.71 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.299 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 ttt-85 -58.53 -54.41 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.281 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.7 -31.08 71.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 4.9 tp-100 -70.31 -34.44 72.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.857 0.361 . . . . 0.0 110.387 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.628 HG22 HD13 ' A' ' 121' ' ' ILE . 54.7 mt -71.14 -41.09 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.277 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.2 mp -66.54 -23.99 66.3 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.01 0.433 . . . . 0.0 110.339 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -71.52 -38.14 71.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.87 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG21 ' CB ' ' A' ' 83' ' ' PHE . 34.8 m -91.64 -30.15 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 83' ' ' PHE . 60.8 mttm -101.81 -100.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.325 -178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.95 -56.38 0.43 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.067 0.947 . . . . 0.0 113.364 178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -79.48 0.4 29.71 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -171.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -98.1 -152.06 0.39 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.751 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -82.04 -83.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -171.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.497 ' CB ' ' HG3' ' A' ' 179' ' ' LYS . 74.9 mmtt -138.61 153.19 48.63 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.485 -172.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.628 HD13 HG22 ' A' ' 111' ' ' ILE . 36.6 mt -126.7 97.86 32.43 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.801 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.711 ' HG3' ' HG2' ' A' ' 179' ' ' LYS . 3.7 Cg_exo -80.78 115.3 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 123.265 2.644 . . . . 0.0 112.165 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.65 160.84 15.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.381 176.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.6 tp -150.73 118.07 6.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.468 ' N ' HD12 ' A' ' 124' ' ' LEU . 24.6 t -90.72 121.03 40.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.293 -178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.692 ' HB ' HG12 ' A' ' 92' ' ' VAL . 58.9 t -115.7 123.99 71.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.705 -176.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -75.35 106.36 2.09 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.304 -1.119 . . . . 0.0 110.304 173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -99.51 142.46 30.96 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 -174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.597 ' HD3' ' C4 ' ' A' ' 500' ' ' GNP . 59.0 tptt 66.11 63.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.604 0.716 . . . . 0.0 110.435 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.8 m -77.51 -4.79 47.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.815 0.817 . . . . 0.0 108.966 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' HB3' ' HD2' ' A' ' 129' ' ' LYS . 32.5 t70 -76.53 66.72 2.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.728 -177.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -168.07 -52.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.304 176.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.532 ' N ' HD12 ' A' ' 132' ' ' LEU . 38.0 tt0 64.95 -67.23 0.12 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.849 0.86 . . . . 0.0 112.835 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.884 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.5 pt-20 -56.84 -34.68 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.884 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 87.6 mtt180 -95.79 19.0 11.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -170.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.677 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -70.36 114.42 8.47 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.719 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -87.68 -20.26 26.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.45 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 5.5 p -118.58 118.23 33.75 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.885 0.374 . . . . 0.0 110.788 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 34.3 Cg_exo -60.56 128.33 25.58 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.639 2.226 . . . . 0.0 112.709 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 1.0 OUTLIER -56.82 -27.98 27.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.247 177.578 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -56.35 -39.83 73.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.627 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -94.98 -19.77 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.736 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -67.94 -44.77 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -65.04 -33.49 76.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.1 0.476 . . . . 0.0 109.718 176.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.9 t -57.48 -49.53 75.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.858 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 25.6 mmtp -59.97 -41.27 91.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.655 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.31 98.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.004 0.43 . . . . 0.0 110.511 176.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -70.17 -29.52 66.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.708 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.27 -40.27 95.68 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -82.97 -12.89 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.616 -178.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.63 22.91 48.81 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.272 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.3 m -110.89 167.79 4.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.86 0.362 . . . . 0.0 111.108 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.684 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -91.78 156.14 17.75 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.42 177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -120.56 121.82 39.25 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.6 t -130.6 135.61 60.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.469 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.68 121.48 28.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.647 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.8 m -132.0 129.77 40.56 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.98 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.465 ' HA ' ' O6 ' ' A' ' 500' ' ' GNP . 69.7 m -136.53 130.56 32.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.962 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.571 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -84.4 8.41 16.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.038 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.568 ' HB2' HN21 ' A' ' 500' ' ' GNP . 27.1 tptp -88.59 -20.1 25.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.835 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.9 p -127.62 -0.15 6.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.678 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 162' ' ' ARG . 36.3 mtp-105 59.68 36.35 22.43 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.114 0.483 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -106.26 131.93 52.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 65.95 9.61 6.28 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.745 0.818 . . . . 0.0 112.437 176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.51 -52.79 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.908 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.68 -31.88 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.096 0.474 . . . . 0.0 110.57 -178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -58.31 -52.54 65.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.389 -173.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.68 -29.45 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -75.26 -45.18 41.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 110.431 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.5 ' CD1' HD21 ' A' ' 57' ' ' LEU . 19.4 m-85 -67.55 -45.66 74.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.554 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -55.49 -50.87 68.79 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.525 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.3 tp -61.76 -44.33 97.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.623 -178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.578 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.0 mtm -63.96 -31.0 72.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.943 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 12.3 mmm180 -67.65 -39.85 84.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.506 0.193 . . . . 0.0 110.957 177.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -67.38 -30.82 70.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.86 0.362 . . . . 0.0 111.152 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 173' ' ' MET . 66.5 mt -56.94 -29.57 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -57.94 -53.01 63.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.381 . . . . 0.0 110.389 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.8 m -69.11 -30.0 68.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.385 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.711 ' HG2' ' HG3' ' A' ' 122' ' ' PRO . 14.4 mptt -66.78 -57.45 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.626 176.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -74.92 -23.99 58.43 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -172.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 70.3 mtm -86.58 -11.62 50.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.044 174.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.7 m 61.3 -167.6 0.19 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.906 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.589 ' HB3' ' HE2' ' A' ' 185' ' ' LYS . 45.1 mt-10 -82.3 77.61 9.07 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.0 0.429 . . . . 0.0 110.739 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -83.06 69.83 9.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.939 0.876 . . . . 0.0 109.686 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 183' ' ' GLU . 40.1 mtmt . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.259 -176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 11.1 m -73.41 -19.68 60.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.72 139.11 57.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.104 178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.425 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.5 m 74.42 -48.11 0.65 Allowed 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.987 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -61.24 -33.49 73.6 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.565 0.221 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.15 66.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.46 93.35 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.784 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.448 HG21 ' HA ' ' B' ' 443' ' ' LEU . 32.7 mm -54.49 -47.49 70.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 0.0 110.306 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 97.6 mttt -60.57 -45.52 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.525 -177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.25 -34.79 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.728 0.299 . . . . 0.0 110.724 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.08 -45.85 72.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.54 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.601 HG12 ' HB3' ' B' ' 439' ' ' LEU . 88.4 mt -53.25 -52.63 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.648 175.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 68.1 mtp180 -62.88 -34.09 76.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.763 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -59.9 -46.59 88.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.511 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.511 ' OE1' HG23 ' B' ' 432' ' ' VAL . 75.6 mm-40 -75.25 -32.21 61.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.711 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.48 -43.25 93.31 Favored 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.63 -51.38 69.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.971 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.471 ' HB2' HG21 ' B' ' 432' ' ' VAL . 70.4 mt -58.74 -47.5 84.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.222 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.556 HD13 HG13 ' B' ' 432' ' ' VAL . 16.0 tp -69.76 -45.79 67.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.466 . . . . 0.0 110.696 -176.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -56.35 -47.2 79.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.573 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 12.2 t -60.57 -53.86 52.35 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.744 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 62.3 mt -53.93 -42.11 68.46 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 111.193 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.0 m170 -65.61 -41.08 93.17 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -78.65 -43.24 26.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -66.6 -54.27 25.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.605 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.65 ' HG ' ' HD3' ' B' ' 425' ' ' LYS . 1.5 mp -62.35 -26.77 68.63 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.723 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.9 tt0 -66.14 -13.86 60.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.81 -177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -82.29 11.41 50.26 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.182 -0.532 . . . . 0.0 112.476 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.53 33.95 17.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.04 116.5 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.645 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 29.0 mtmm -123.4 144.2 49.64 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.731 0.777 . . . . 0.0 112.054 178.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.577 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 22.5 t70 -147.65 159.11 44.14 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.221 -1.354 . . . . 0.0 107.475 172.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.34 -35.29 77.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.253 0.549 . . . . 0.0 110.282 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.0 m -65.44 -42.03 92.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.39 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.65 ' HD3' ' HG ' ' B' ' 416' ' ' LEU . 0.3 OUTLIER -71.42 -37.07 71.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.387 -170.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.3 pt-20 -73.75 -35.65 65.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.212 -178.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -72.28 -39.73 68.12 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.998 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.632 ' O ' HG12 ' B' ' 432' ' ' VAL . 33.9 mmt180 -65.07 -35.91 82.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.639 174.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 416' ' ' LEU . 6.1 mt -55.72 -57.41 12.13 Favored 'General case' 0 CA--C 1.514 -0.431 0 O-C-N 123.389 0.43 . . . . 0.0 111.388 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 51.6 m95 -63.92 -31.85 73.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.025 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.442 ' O ' HG13 ' B' ' 435' ' ' ILE . 39.0 tt0 -68.15 -56.55 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.722 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.1 p -62.77 -34.59 66.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.192 0.52 . . . . 0.0 109.837 178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.43 -51.21 69.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.142 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.58 -26.28 63.45 Favored 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.577 -179.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' B' ' 432' ' ' VAL . 40.3 mt -72.87 -45.66 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.07 -46.2 82.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.728 -178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.9 t -70.5 -35.45 73.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.637 0.256 . . . . 0.0 111.042 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.34 79.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.601 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.3 mp -64.86 -37.86 89.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.136 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -61.8 -39.13 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.345 0.593 . . . . 0.0 109.637 174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.15 -44.96 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.372 176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.61 -31.21 71.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.57 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' B' ' 398' ' ' ILE . 52.9 tp -62.59 -43.1 99.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.035 0.445 . . . . 0.0 110.077 177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -82.09 -7.27 59.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 177.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.42 -35.18 25.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.918 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.875 179.615 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.597 ' C4 ' ' HD3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.9 83.51 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.6 m -151.1 132.9 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.416 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.9 m 64.31 18.97 11.6 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.58 0.55 . . . . 0.0 111.403 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -96.11 -13.31 23.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.172 -175.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.58 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -97.85 11.08 38.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.278 0.561 . . . . 0.0 111.107 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 15' ' ' HIS . 5.0 tt -133.15 126.56 31.95 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' N ' HD23 ' A' ' 14' ' ' LEU . 57.1 m-70 -136.92 152.7 50.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 111.376 -177.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 87' ' ' GLU . 6.5 mmpt? -122.07 106.37 11.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.817 175.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.13 115.55 48.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.503 . . . . 0.0 110.767 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.23 131.02 64.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.331 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 51.2 ttm -93.51 114.79 27.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.32 155.66 10.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.61 -174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.11 -168.7 41.41 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.578 ' HB2' ' HZ ' ' A' ' 107' ' ' PHE . 12.2 t -115.64 146.6 41.66 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 49.55 -113.19 1.65 Allowed Glycine 0 C--N 1.333 0.394 0 O-C-N 123.683 0.614 . . . . 0.0 112.731 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -136.73 52.54 0.77 Allowed Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 121.077 -0.583 . . . . 0.0 112.078 177.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 22' ' ' SER . 38.4 t -82.04 65.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.969 0.89 . . . . 0.0 110.293 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.23 45.25 62.16 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 114.714 -1.13 . . . . 0.0 113.296 175.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 19.8 pttp -131.36 70.77 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.862 0.839 . . . . 0.0 110.69 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.54 -42.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.615 172.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -71.55 -41.05 69.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.901 -177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.417 HD11 HD21 ' A' ' 128' ' ' ASN . 8.0 mp -63.27 -30.99 72.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.636 -173.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.4 p -69.71 -43.03 73.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.007 -176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.96 -37.0 83.48 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.812 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 90.1 mt-30 -64.13 -33.59 76.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.342 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -71.18 -37.24 72.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.644 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.6 mtt -78.02 -54.28 6.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.375 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -143.81 -61.76 0.4 Allowed 'General case' 0 CA--C 1.496 -1.124 0 CA-C-O 122.873 1.321 . . . . 0.0 110.631 -174.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.605 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 1.3 t70 -88.91 -162.37 0.85 Allowed 'General case' 0 N--CA 1.428 -1.559 0 CA-C-N 111.898 -2.41 . . . . 0.0 112.097 -149.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -131.15 -165.24 1.54 Allowed 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 113.2 -1.818 . . . . 0.0 109.806 -171.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -74.24 106.41 5.87 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.206 0.527 . . . . 0.0 109.796 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 m -78.59 157.65 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.138 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.0 -11.82 24.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -155.25 125.36 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.525 174.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -175.83 121.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 1.037 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.7 mm-40 -134.6 -36.97 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 1.037 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -45.94 98.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.396 0 C-N-CA 122.854 2.369 . . . . 0.0 113.081 174.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.9 OUTLIER -158.37 42.99 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.096 177.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -85.37 -50.81 7.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.883 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.13 20.8 8.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.459 174.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 7.5 m-20 -94.15 94.33 8.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.469 -171.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t -105.71 151.54 24.29 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 172.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.595 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 0.3 OUTLIER -140.2 125.26 18.55 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.747 -178.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.66 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 41.3 ttp180 -91.77 113.79 26.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.019 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -98.32 138.72 35.15 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.162 -178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -97.68 118.51 34.37 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 172.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -127.5 142.01 44.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 2.6 p -92.49 102.7 13.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-O 121.845 0.831 . . . . 0.0 109.536 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.27 99.37 11.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.018 -173.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.2 t70 61.98 12.26 4.78 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.412 172.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 147.89 -33.22 1.28 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.936 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 62' ' ' VAL . 5.4 pt-20 -105.94 140.82 38.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.595 0.697 . . . . 0.0 110.75 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -76.81 111.28 12.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.26 0.552 . . . . 0.0 109.628 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 13' ' ' ALA . 10.8 t -107.09 155.83 7.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.394 -170.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -112.35 117.01 31.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -123.93 112.22 31.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.391 0.615 . . . . 0.0 110.44 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' ARG . 17.4 t70 -98.02 121.19 39.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.763 -178.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.44 114.78 47.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.448 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.2 tp -100.84 130.2 46.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.497 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -95.18 120.2 35.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.0 m -103.45 140.94 36.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.095 0.474 . . . . 0.0 111.589 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.94 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.206 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.33 56.65 2.4 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.874 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -152.92 158.38 42.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.659 0.266 . . . . 0.0 110.82 -178.143 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -73.15 -24.11 60.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.705 -176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' HD13 ' A' ' 72' ' ' LEU . 16.3 m-20 -57.26 -64.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.172 0.511 . . . . 0.0 111.238 -176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -84.35 65.03 8.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.434 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 79' ' ' ARG . . . -64.94 -24.0 67.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.547 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.663 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -63.26 -19.97 65.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.352 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.475 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 27.8 mt -94.64 -30.04 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 -177.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -92.14 -66.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.768 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.26 -40.36 81.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.246 0.546 . . . . 0.0 111.179 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.663 HD22 ' HA ' ' A' ' 77' ' ' ALA . 93.7 m-20 -76.55 -22.71 53.98 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.895 -174.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 23.8 m-85 -89.97 -35.87 15.3 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' O ' ' HE2' ' A' ' 115' ' ' LYS . 18.7 m-30 -56.53 -27.38 57.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -176.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 HH12 ' CD ' ' A' ' 117' ' ' GLU . 21.1 mmm180 -47.25 -67.98 0.23 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.547 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.9 m -84.92 29.61 0.62 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.006 0.431 . . . . 0.0 111.444 -178.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.63 -172.27 47.53 Favored Glycine 0 C--N 1.333 0.377 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.277 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.629 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 31.7 tt0 -148.36 -76.28 0.17 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.769 0.427 . . . . 0.0 110.129 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 148.62 16.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.875 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -131.87 133.39 44.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 96.3 mt -99.46 114.66 27.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.322 174.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.463 HD23 HG22 ' A' ' 125' ' ' VAL . 65.7 tp -97.99 107.16 19.58 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.037 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.1 m -104.73 136.77 36.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.099 0.475 . . . . 0.0 111.803 -176.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -144.98 163.74 33.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.727 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.5 p -111.12 146.27 37.11 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.255 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.737 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.48 -0.82 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.773 0.321 . . . . 0.0 111.57 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.512 HG23 HD13 ' A' ' 132' ' ' LEU . 2.0 p -90.27 -53.37 4.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.154 0.502 . . . . 0.0 110.699 174.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -78.9 95.67 5.49 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.792 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -64.13 -25.77 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.147 178.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.18 -44.44 92.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.208 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.0 m -68.49 -27.27 65.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.721 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -68.34 -45.65 72.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.93 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -68.6 -28.78 67.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.272 0.558 . . . . 0.0 110.794 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.3 -14.46 62.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.248 -177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 38.9 p -54.47 -39.5 67.53 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 111.871 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.9 -39.05 92.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.693 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -60.77 -45.39 94.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.465 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.578 ' HZ ' ' HB2' ' A' ' 22' ' ' SER . 22.1 m-85 -63.28 -49.34 74.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.139 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -55.39 -54.82 38.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 42.7 mt-10 -61.53 -38.63 88.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.234 -178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 4.9 tp-100 -59.01 -38.76 79.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.086 0.47 . . . . 0.0 110.5 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.01 -44.37 99.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.191 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.1 -25.96 61.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.679 0.276 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 61.5 mtp180 -64.73 -29.31 70.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.338 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.6 m -102.73 -19.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.363 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.612 ' HZ2' ' CD ' ' A' ' 118' ' ' GLU . 40.2 mttm -104.83 -112.1 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.832 178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.03 -24.39 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.228 1.011 . . . . 0.0 113.662 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.462 ' CD ' HH12 ' A' ' 84' ' ' ARG . 12.3 pt-20 -88.56 12.21 15.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.612 ' CD ' ' HZ2' ' A' ' 115' ' ' LYS . 8.3 pt-20 -122.9 -167.15 1.54 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.79 -0.187 . . . . 0.0 111.187 -174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -84.39 0.03 OUTLIER 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -175.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 30.7 mmtp -141.92 129.93 21.97 Favored 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 121.864 -0.522 . . . . 0.0 111.539 -172.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.2 mt -102.35 104.9 40.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.623 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 6.4 Cg_endo -87.4 114.76 1.03 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.249 2.633 . . . . 0.0 112.522 178.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.37 121.98 45.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.114 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.476 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.8 tp -105.41 112.97 26.27 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.463 HG22 HD23 ' A' ' 91' ' ' LEU . 4.7 t -85.1 118.5 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 0.0 109.845 -178.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' A' ' 92' ' ' VAL . 28.6 t -112.26 127.88 69.2 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.889 -174.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.31 113.78 3.81 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.417 HD21 HD11 ' A' ' 30' ' ' LEU . 9.7 t-20 -109.21 164.78 12.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.857 0.329 . . . . 0.0 110.537 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 mmmp? 63.58 63.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.052 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.0 m -87.52 11.01 15.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.398 0.618 . . . . 0.0 110.204 176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.54 -2.65 43.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.747 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.512 HD13 HG23 ' A' ' 96' ' ' THR . 0.6 OUTLIER -102.0 -61.18 1.42 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.327 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 67.42 -65.5 0.23 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.736 0.814 . . . . 0.0 111.542 -177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.95 -26.95 67.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 111.615 -176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.428 ' HB2' HD13 ' A' ' 132' ' ' LEU . 59.7 mtp180 -86.76 19.32 2.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.678 -174.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -67.01 113.69 5.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.57 0.224 . . . . 0.0 110.411 -177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -102.53 -10.34 19.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.19 0.519 . . . . 0.0 110.906 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 4.2 p -125.51 120.05 24.68 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.688 174.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.631 ' HB2' ' HG2' ' A' ' 141' ' ' GLU . 19.0 Cg_endo -59.82 119.23 6.33 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.214 1.943 . . . . 0.0 110.824 178.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.44 -11.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.956 -173.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.7 pt-20 -59.69 -43.85 93.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 13.7 pt-20 -77.88 -24.74 48.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.041 0.448 . . . . 0.0 110.155 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.22 91.15 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -62.33 -41.76 98.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.121 173.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.0 t -55.93 -43.55 77.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.845 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -64.69 -44.33 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.2 85.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.204 0.526 . . . . 0.0 110.309 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.76 -35.47 80.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.405 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -61.5 -40.68 95.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.937 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -86.78 -13.1 46.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.527 -177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.44 25.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.301 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.87 -176.61 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 122.042 0.137 . . . . 0.0 110.917 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.438 ' CG ' HD13 ' A' ' 124' ' ' LEU . 11.9 pt20 -106.4 153.38 22.33 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.735 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -121.34 126.84 50.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.879 173.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.0 t -131.5 130.88 62.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.874 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.66 134.95 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.427 HG22 ' HB2' ' A' ' 164' ' ' ASN . 61.7 p -133.88 170.02 16.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.5 . . . . 0.0 111.541 -176.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.1 t -155.29 124.48 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.44 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.77 -26.0 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.528 -178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -76.69 -45.96 27.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.998 0.427 . . . . 0.0 110.125 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -14.87 47.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.694 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 60.16 80.96 0.19 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.274 -178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.05 126.91 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 94.9 m-20 65.25 7.75 4.41 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.515 0.726 . . . . 0.0 112.455 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.84 -38.49 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.098 0.475 . . . . 0.0 110.684 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.46 -31.81 58.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.373 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -61.54 -47.63 84.69 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.6 m -57.79 -28.79 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -75.06 -52.16 11.73 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.433 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.7 m-85 -63.94 -46.99 82.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.579 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -65.21 -42.81 93.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.826 -174.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 176' ' ' ILE . 53.3 tp -60.56 -42.99 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 109.966 177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.544 ' HA ' HD12 ' A' ' 176' ' ' ILE . 66.8 mtm -60.26 -30.11 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.077 177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 174' ' ' ARG . 9.9 mmm180 -74.87 -41.78 59.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.411 179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.471 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.4 mt-10 -59.98 -38.62 83.06 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.371 173.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 173' ' ' MET . 98.0 mt -57.77 -42.69 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.498 176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 173' ' ' MET . 63.4 mtt-85 -63.33 -43.77 96.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.37 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.2 m -61.47 -38.84 88.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.1 mptt -65.06 -46.6 80.52 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.629 176.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -67.78 -40.09 84.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.301 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 75.0 mtm -73.31 -23.12 60.22 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.184 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.2 m 68.64 167.84 0.27 Allowed 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.452 -0.794 . . . . 0.0 112.594 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 53.26 84.0 0.06 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.115 -0.948 . . . . 0.0 112.1 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -117.37 32.5 6.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.616 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.248 0.992 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.351 -178.12 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 7.1 p -151.32 -20.34 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.952 0.405 . . . . 0.0 110.828 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 1.3 mp0 -52.15 -65.54 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.391 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.52 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.0 t -83.04 -18.61 39.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.481 -178.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -53.64 -35.6 61.16 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.136 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.95 52.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.904 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.416 ' HA2' ' OE1' ' B' ' 400' ' ' GLU . . . -69.67 -33.93 72.1 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.589 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.52 HG12 ' O ' ' B' ' 394' ' ' THR . 30.7 mm -56.64 -47.92 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.027 0.441 . . . . 0.0 110.023 176.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -61.11 -38.66 87.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.13 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.416 ' OE1' ' HA2' ' B' ' 397' ' ' GLY . 47.4 mt-10 -60.03 -48.81 80.15 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.957 0.408 . . . . 0.0 110.678 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 20.5 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.505 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' B' ' 443' ' ' LEU . 93.2 mt -59.23 -50.53 79.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 176.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.531 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 25.5 mmm180 -62.12 -31.26 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 110.248 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -68.87 -44.62 72.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.359 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.51 ' HB2' HD13 ' B' ' 436' ' ' LEU . 32.9 mm-40 -68.7 -35.55 77.31 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.531 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 44.3 mt-10 -60.53 -41.8 95.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.098 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -60.41 -47.38 86.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.94 175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.705 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.9 mt -60.64 -51.2 70.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.463 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.713 HD22 HG13 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -59.32 -39.44 83.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.976 178.65 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -64.56 -44.71 89.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.068 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.6 t -59.69 -54.02 51.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.765 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.516 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -55.72 -42.75 75.78 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.805 0.336 . . . . 0.0 111.096 176.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.4 m170 -64.77 -39.21 93.24 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -176.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -77.48 -45.76 24.6 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.29 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -64.54 -55.11 22.65 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.29 0.567 . . . . 0.0 111.643 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.464 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 67.1 mt -65.97 -24.58 66.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.778 -175.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.598 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.5 tt0 -59.22 -21.57 59.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.67 -175.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.33 -7.16 86.92 Favored Glycine 0 CA--C 1.522 0.526 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.925 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.46 17.66 13.22 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.247 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 51.7 mt -87.47 132.85 31.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -139.52 143.37 37.41 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.994 0.902 . . . . 0.0 112.762 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.702 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.5 t70 -149.54 171.36 16.74 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 7.8 mp -72.19 -31.16 65.65 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.725 0.774 . . . . 0.0 109.779 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -64.14 -34.64 78.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.251 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.8 pptp? -69.92 -37.38 75.93 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.588 -172.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.588 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.2 pt-20 -72.87 -41.76 64.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.779 0.323 . . . . 0.0 110.56 -179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -69.18 -42.28 76.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.71 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.613 ' O ' HG12 ' B' ' 432' ' ' VAL . 15.0 mmt180 -61.5 -44.47 97.02 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.845 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' B' ' 433' ' ' GLN . 8.1 mt -55.38 -52.51 63.3 Favored 'General case' 0 CA--C 1.513 -0.47 0 O-C-N 123.468 0.48 . . . . 0.0 111.543 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.734 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 87.3 m95 -69.21 -33.26 73.05 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.604 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.696 ' HA ' ' NE ' ' B' ' 434' ' ' ARG . 9.5 tp10 -65.03 -56.02 15.53 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.014 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.713 HG13 HD22 ' B' ' 409' ' ' LEU . 3.5 p -62.67 -32.95 57.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.461 0.648 . . . . 0.0 109.852 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.2 tp60 -55.77 -53.48 56.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.43 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.734 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.7 OUTLIER -71.45 -26.13 62.6 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.092 -177.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 58.9 mt -68.32 -52.62 35.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 175.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' B' ' 405' ' ' GLN . 31.0 tp -58.42 -38.62 77.81 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.595 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 13.3 t -71.98 -40.28 68.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.209 -176.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -69.95 -34.7 73.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.481 0.658 . . . . 0.0 109.702 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.412 ' HG ' HG12 ' B' ' 402' ' ' ILE . 26.9 tp -66.11 -33.69 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.753 177.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -60.54 -41.95 95.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 110.171 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.95 -45.26 93.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.218 175.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -59.37 -31.8 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.479 179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' B' ' 402' ' ' ILE . 47.8 tp -66.45 -44.06 83.85 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.437 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -80.4 -1.74 42.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 110.752 178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.86 -43.01 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.83 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.701 -0.666 . . . . 0.0 111.635 -175.635 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.441 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . 0.594 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.499 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -73.1 -17.17 61.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.695 0.247 . . . . 0.0 110.599 177.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m 61.4 -169.46 0.17 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.282 177.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t 70.57 15.97 7.03 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.743 0.783 . . . . 0.0 109.863 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.0 mt -129.35 9.3 5.59 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -114.4 17.83 17.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.14 -170.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD21 HH22 ' B' ' 434' ' ' ARG . 39.2 tp -128.69 120.42 26.46 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -136.47 151.4 49.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -174.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.728 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -119.41 120.91 38.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.284 173.51 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.6 t -122.78 123.71 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.128 -178.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG21 ' HE1' ' A' ' 83' ' ' PHE . 68.9 mt -104.84 127.47 59.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.678 -178.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.9 tpp -87.39 107.97 18.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.712 -178.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.2 126.81 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.432 -178.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.0 -173.03 24.11 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.078 -177.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.805 ' HB2' ' HB3' ' A' ' 100' ' ' SER . 23.2 t -94.6 -12.05 28.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.606 0.717 . . . . 0.0 110.041 -175.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.77 -73.35 0.39 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.49 -178.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.24 8.62 9.66 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.955 179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.75 -8.58 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 122.665 -0.314 . . . . 0.0 110.922 174.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.64 90.81 0.18 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.761 -177.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -138.58 -77.71 0.36 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.794 0.331 . . . . 0.0 110.769 175.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.617 ' O ' ' HG ' ' A' ' 32' ' ' LEU . 18.1 m -68.99 -40.74 78.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -175.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.54 88.12 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.6 mt -62.28 -49.85 74.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.223 0.535 . . . . 0.0 111.175 -178.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.588 HG21 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -72.16 -33.74 67.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.959 -175.124 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 28' ' ' SER . 97.0 mt -61.47 -40.06 93.16 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.352 -0.139 . . . . 0.0 111.017 177.28 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -60.2 -44.66 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.343 175.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -72.8 -34.08 66.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.924 -175.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.482 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 45.8 mtm -96.59 -49.67 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -173.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -90.07 -8.08 52.3 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 -177.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 67.61 13.71 9.34 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.911 0.757 . . . . 0.0 111.809 176.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -132.77 161.85 33.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.787 -177.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -85.02 133.45 34.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 173.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 32' ' ' LEU . 3.2 p -55.71 112.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.573 0.701 . . . . 0.0 112.395 -173.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.88 -60.85 1.76 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.015 173.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -135.52 100.62 4.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -164.04 109.07 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.595 174.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.708 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 36.3 mt-10 -101.9 -63.76 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 86.2 Cg_exo -45.31 -79.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 123.439 2.759 . . . . 0.0 115.023 -164.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.9 41.04 26.39 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.803 0.335 . . . . 0.0 111.077 -173.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -86.55 -58.18 2.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.475 -178.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.22 -2.42 6.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.52 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.09 135.66 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.211 0.529 . . . . 0.0 111.455 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 p -131.94 -173.07 3.04 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.206 176.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 35' ' ' MET . 85.4 t80 -131.92 128.49 38.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.13 0.49 . . . . 0.0 111.156 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 25.7 ttt180 -77.09 105.37 8.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.331 175.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -109.0 140.53 42.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.862 0.363 . . . . 0.0 111.232 -175.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 24.7 ttmt -114.61 130.73 56.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.872 173.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.4 m -142.53 154.79 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -134.42 137.02 52.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.857 176.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -133.63 99.11 4.38 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.77 78.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.998 0.811 . . . . 0.0 111.548 -178.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.12 -127.61 2.53 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.58 174.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.59 157.08 18.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -175.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 63.5 mt-10 -56.79 125.59 23.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.322 0.582 . . . . 0.0 111.054 -175.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' HA ' ' A' ' 13' ' ' ALA . 21.9 t -107.37 145.13 15.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.044 -175.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -112.97 122.02 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.029 0.442 . . . . 0.0 110.167 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.7 tt -109.27 114.87 48.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.654 0.74 . . . . 0.0 110.177 178.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.728 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 25.7 t0 -87.87 113.1 23.2 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.007 -177.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.588 HG21 HG21 ' A' ' 31' ' ' THR . 24.4 mm -108.51 135.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 0.0 112.339 -169.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.6 tp -131.5 123.7 28.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.122 171.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -98.74 82.09 2.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 79' ' ' ARG . 24.6 m -60.94 142.32 56.53 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 113.249 -170.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.0 120.38 22.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.947 173.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.21 65.84 3.74 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.533 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -147.66 160.58 42.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.596 0.236 . . . . 0.0 110.773 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -92.21 -7.54 47.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.7 m-20 -57.97 -75.57 0.05 OUTLIER 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.75 0.786 . . . . 0.0 110.414 175.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.528 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.8 m-85 -84.07 68.04 9.91 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.618 178.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.18 -23.68 62.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.532 177.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.602 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -66.77 -6.99 18.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.291 177.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.505 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 50.0 mt -107.96 -35.59 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 177.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HA ' HG21 ' A' ' 69' ' ' THR . 53.2 ttt180 -85.56 -64.94 1.07 Allowed 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.0 -55.0 7.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.691 -173.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.602 ' CG ' ' HA ' ' A' ' 77' ' ' ALA . 1.5 m-20 -59.91 -24.47 64.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.253 -173.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 3.5 m-85 -90.41 -18.47 25.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -178.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 11.3 m-30 -72.94 1.23 9.19 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -176.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.569 HH11 ' HB ' ' A' ' 114' ' ' VAL . 29.9 mmt-85 -70.77 -62.41 1.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.227 0.537 . . . . 0.0 110.64 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -92.52 11.01 27.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.407 -174.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.05 122.56 5.86 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.332 -0.937 . . . . 0.0 111.496 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 38.7 mt-10 -86.36 -74.06 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.972 0.415 . . . . 0.0 110.56 -178.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 128.74 9.3 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.385 -174.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.446 ' HB2' HD23 ' A' ' 123' ' ' LEU . 87.1 m-85 -115.36 117.33 30.13 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.989 0.423 . . . . 0.0 111.02 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.8 mt -95.67 114.19 25.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.674 176.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.81 105.12 17.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG22 ' HB ' ' A' ' 126' ' ' VAL . 37.2 t -108.83 127.76 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.371 0.605 . . . . 0.0 111.782 -176.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 43.8 p90 -133.51 175.43 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.212 175.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t -129.72 143.08 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.688 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -71.9 -3.65 4.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.049 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.409 ' CG2' HD22 ' A' ' 132' ' ' LEU . 4.0 p -88.75 -15.11 35.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.987 0.422 . . . . 0.0 110.904 175.016 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -122.99 102.56 8.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.252 -179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -63.49 -18.37 63.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.125 178.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -68.76 -52.99 24.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.487 -177.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 2.0 p -61.47 -36.75 81.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.793 0.33 . . . . 0.0 110.698 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' HE1' ' HA ' ' A' ' 143' ' ' ALA . 62.8 t80 -58.5 -40.56 83.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.345 175.106 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 m -75.07 -36.08 61.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.863 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.52 -15.81 63.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.287 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.3 p -54.05 -39.14 65.97 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 110.952 178.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.23 -38.79 82.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.361 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -64.45 -46.06 84.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.508 ' O ' HG13 ' A' ' 111' ' ' ILE . 19.1 m-85 -58.67 -47.55 84.08 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.238 176.706 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HA ' HD12 ' A' ' 111' ' ' ILE . 54.5 ttt180 -56.29 -50.3 71.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.412 -177.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -59.28 -40.09 85.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.561 -178.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.425 ' O ' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -62.48 -36.27 81.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.262 -179.537 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.0 mt -62.1 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.731 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.77 -35.68 70.14 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.094 0.473 . . . . 0.0 110.254 178.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -58.47 -39.72 80.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.634 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.1 m -90.6 -5.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.947 -175.29 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HG3' HG23 ' A' ' 114' ' ' VAL . 54.1 mtmt -134.48 -108.44 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -178.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.66 4.69 1.92 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.461 0.704 . . . . 0.0 112.328 -174.174 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -113.42 -0.64 14.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.743 0.306 . . . . 0.0 110.69 -179.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.68 -159.14 0.56 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.514 -174.128 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -78.12 -67.23 0.75 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.016 -176.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.554 ' HG2' ' HE3' ' A' ' 179' ' ' LYS . 49.4 tptt -163.62 111.82 1.21 Allowed 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.423 HD13 HG22 ' A' ' 111' ' ' ILE . 67.5 mt -72.33 113.39 20.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.8 Cg_endo -91.54 127.5 1.07 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.476 2.784 . . . . 0.0 111.986 176.048 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 89' ' ' PHE . 81.7 mt -119.92 139.46 52.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 -178.229 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.855 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.9 tp -141.84 122.42 14.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.273 177.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.695 HG13 ' HD1' ' A' ' 154' ' ' TYR . 14.8 p -102.32 129.23 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.711 0.767 . . . . 0.0 110.486 -178.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.2 t -118.38 131.28 71.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.741 -173.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -99.45 92.16 1.13 Allowed Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 175.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.402 ' OD1' HD21 ' A' ' 30' ' ' LEU . 8.4 t30 -86.36 150.77 24.09 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.655 -0.32 . . . . 0.0 110.965 -173.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 23.8 tptm 71.11 72.91 0.19 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.385 177.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -89.86 3.68 52.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 172.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.16 62.43 0.92 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.81 -178.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 134' ' ' GLU . 0.7 OUTLIER -161.94 -54.09 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.169 179.519 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.411 ' H ' ' HG ' ' A' ' 132' ' ' LEU . 12.9 pt-20 50.88 -59.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.871 1.668 . . . . 0.0 114.556 -176.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.986 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 9.5 pt-20 -58.99 -24.36 62.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.112 0.565 . . . . 0.0 111.995 -178.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.986 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.0 mtt180 -110.95 27.14 9.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.476 -171.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.688 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.0 ttp180 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -82.35 -35.71 27.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 -175.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.98 126.46 27.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.478 -178.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.719 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 57.5 Cg_exo -53.18 122.6 11.46 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 111.927 177.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.6 OUTLIER -75.51 -17.99 15.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -174.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -67.21 -40.35 86.43 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.986 177.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.719 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 10.5 pt-20 -80.92 -19.63 43.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.687 -0.405 . . . . 0.0 109.971 177.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' HA ' ' HE1' ' A' ' 101' ' ' PHE . . . -66.57 -39.34 88.44 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.046 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 71.6 mtp180 -62.11 -37.4 84.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.061 173.361 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 9.3 t -64.66 -25.11 67.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.943 -178.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 -54.4 38.95 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.056 0.455 . . . . 0.0 110.223 174.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.58 -35.92 77.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.294 176.421 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 37.0 tt0 -58.62 -36.85 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.429 177.059 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -80.98 -39.13 26.46 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.99 0.424 . . . . 0.0 110.721 179.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.484 ' HB2' HG22 ' A' ' 152' ' ' VAL . 51.5 m0 -73.03 -17.12 61.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.093 -178.283 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.25 16.24 72.23 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.891 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 150' ' ' TRP . 30.0 m -110.53 -174.75 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 N-CA-C 110.488 -0.189 . . . . 0.0 110.488 -177.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.855 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -106.49 150.73 25.81 Favored 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.538 179.002 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.695 ' HD1' HG13 ' A' ' 125' ' ' VAL . 43.0 t80 -121.43 120.12 34.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.411 177.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.1 t -127.16 121.56 57.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 110.456 -0.201 . . . . 0.0 110.456 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -87.62 143.69 27.06 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 174.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -140.12 167.98 20.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.274 0.559 . . . . 0.0 111.45 -172.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -135.92 116.37 13.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.692 174.777 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.408 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -77.09 -4.64 45.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 110.768 -179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 27.3 tptp -77.27 -44.99 27.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.188 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 163' ' ' ALA . 9.0 t -111.37 11.15 21.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.653 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 60.79 31.19 20.06 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.876 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 161' ' ' THR . . . -69.16 101.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.399 -175.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 61.93 21.23 12.15 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.841 0.713 . . . . 0.0 112.117 177.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 168' ' ' VAL . 75.5 t -68.29 -45.94 81.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.73 -33.73 76.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.21 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -56.79 -49.35 75.59 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.469 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.6 m -57.31 -30.15 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.93 -46.53 35.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.884 0.373 . . . . 0.0 110.325 177.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.442 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 32.1 m-85 -65.16 -51.51 60.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.639 -177.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.61 -47.56 79.36 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.405 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.511 ' O ' HG13 ' A' ' 176' ' ' ILE . 50.0 tp -60.74 -45.54 93.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.518 -179.318 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.98 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.464 -178.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 0.4 OUTLIER -66.04 -41.29 91.08 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.272 -0.171 . . . . 0.0 111.247 179.271 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.577 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 20.7 mt-10 -66.87 -35.91 81.1 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.632 176.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 172' ' ' LEU . 64.6 mt -64.31 -28.77 45.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.562 177.388 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HG3' ' A' ' 181' ' ' MET . 40.4 mtt180 -61.42 -45.67 93.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.69 176.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 20.5 m -61.42 -32.11 72.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.979 179.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 11.3 mptt -59.8 -46.79 88.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 175.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -69.79 -39.19 76.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.492 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.7 mtt -63.39 -36.27 83.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.664 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.7 m 69.61 144.78 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 O-C-N 124.18 0.925 . . . . 0.0 111.32 -176.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 65.68 175.46 0.22 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.785 -178.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 61.3 26.31 16.16 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.483 0.659 . . . . 0.0 110.049 -173.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.247 0.928 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.753 -175.809 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.744 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 18.2 m -75.52 170.49 16.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.732 0.266 . . . . 0.0 111.037 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 1.6 mp0 -52.66 -46.18 67.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -177.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 35.3 m -66.98 -38.88 86.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 178.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 36.7 mt-30 -65.31 -31.31 72.38 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.744 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.19 -49.2 69.9 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.674 0.273 . . . . 0.0 111.153 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.48 -37.45 93.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.704 177.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.545 ' O ' HG13 ' B' ' 402' ' ' ILE . 45.3 mm -61.03 -51.87 68.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.752 0.311 . . . . 0.0 110.975 177.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 7.5 mtpm? -58.51 -43.71 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.519 -176.504 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -66.33 -37.8 86.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.156 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.87 -37.59 79.16 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' B' ' 439' ' ' LEU . 81.5 mt -53.77 -52.81 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.582 173.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -58.94 -34.95 72.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 42.7 ttt180 -61.96 -47.3 85.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.752 178.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.532 ' HB2' HD23 ' B' ' 436' ' ' LEU . 14.6 mm100 -72.58 -30.81 64.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -178.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.431 ' CG ' HD21 ' B' ' 436' ' ' LEU . 45.5 mt-10 -63.47 -43.99 95.73 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 174.082 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -61.62 -49.64 75.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 176.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 79.5 mt -59.69 -51.73 68.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.128 -179.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.63 HD13 HG13 ' B' ' 432' ' ' VAL . 64.4 tp -65.52 -33.23 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.732 -179.351 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -61.6 -43.77 98.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.615 177.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -53.67 55.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.471 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.557 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -55.54 -35.07 65.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 177.361 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.616 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 11.5 m-70 -69.22 -39.41 78.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.649 177.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -77.53 -53.08 8.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -177.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.72 -56.43 21.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.793 0.33 . . . . 0.0 111.661 -174.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.5 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 80.2 mt -64.33 -26.76 68.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.355 -176.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.0 tt0 -61.12 -29.2 69.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 111.139 -178.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -128.06 21.52 5.52 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.5 -178.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 157.15 111.73 0.34 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.045 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' B' ' 416' ' ' LEU . 29.1 mm -79.79 124.8 38.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 O-C-N 122.498 -0.413 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -75.21 -52.06 11.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.113 0.958 . . . . 0.0 109.327 173.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 13.8 m-20 -148.2 151.25 35.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.645 -1.616 . . . . 0.0 110.443 -176.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.64 -25.29 67.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.171 0.51 . . . . 0.0 110.086 170.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.576 ' HA ' ' OE2' ' B' ' 427' ' ' GLU . 50.1 m -61.37 -29.94 70.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.951 176.27 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.682 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 69.9 mmtt -66.76 -32.03 73.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.725 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 43.8 mt-10 -67.51 -39.13 85.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.55 0.69 . . . . 0.0 109.383 176.11 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' B' ' 424' ' ' SER . 34.5 mt-10 -59.74 -47.15 86.81 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.655 172.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.637 ' O ' HG12 ' B' ' 432' ' ' VAL . 47.6 mmt-85 -61.76 -31.86 72.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.448 178.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 7.0 mt -55.26 -56.34 21.08 Favored 'General case' 0 CA--C 1.517 -0.325 0 O-C-N 123.35 0.406 . . . . 0.0 110.413 177.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -60.23 -37.45 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.571 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.716 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 60.7 mm-40 -68.7 -54.93 13.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.637 HG12 ' O ' ' B' ' 428' ' ' ARG . 7.3 p -65.18 -33.15 61.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.096 0.475 . . . . 0.0 110.496 -179.124 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HA ' HD22 ' B' ' 409' ' ' LEU . 28.2 tp60 -55.58 -53.78 52.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.17 177.039 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.716 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 2.8 ptm180 -66.98 -27.4 67.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.526 -177.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' B' ' 432' ' ' VAL . 64.5 mt -74.32 -43.56 49.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 178.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -57.41 -45.59 84.41 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.83 0.348 . . . . 0.0 110.842 178.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -72.79 -32.24 65.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.591 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.699 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.94 -38.78 92.09 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 175.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.904 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -64.98 -48.18 74.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.274 -178.716 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.23 -28.53 69.8 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.428 0.633 . . . . 0.0 109.973 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -67.29 -42.31 83.97 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 174.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.904 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.5 mtpt -58.52 -36.19 73.44 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.665 175.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.26 -38.38 83.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.506 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -82.53 -18.61 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.454 176.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -82.13 -38.77 24.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.726 0.298 . . . . 0.0 111.22 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.915 -177.76 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' N2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.731 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -108.97 -97.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 111.131 -177.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 p -101.55 28.99 5.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -176.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.9 t 57.98 76.22 0.34 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.474 0.655 . . . . 0.0 110.539 -177.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.43 6.54 17.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.214 0.53 . . . . 0.0 110.196 179.133 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.05 0.94 54.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.658 0.742 . . . . 0.0 110.11 176.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 tp -127.56 106.03 8.89 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.733 -1.122 . . . . 0.0 109.205 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -101.77 153.65 19.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.196 0.522 . . . . 0.0 111.422 -176.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HA2' ' A' ' 86' ' ' GLY . 2.3 tpmt? -124.6 103.85 8.37 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.307 -0.861 . . . . 0.0 108.768 179.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' HB ' HD13 ' A' ' 66' ' ' ILE . 64.9 t -115.45 116.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.518 0.675 . . . . 0.0 110.767 -173.495 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -103.92 119.93 53.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.54 -177.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 49.2 mtt -87.44 120.3 28.6 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.006 177.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.542 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 27.1 m -99.79 149.21 5.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.531 178.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.75 149.93 7.27 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.6 p -56.15 -62.74 1.5 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.269 0.557 . . . . 0.0 110.721 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.62 -75.29 0.68 Allowed Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.718 178.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.869 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . -174.64 61.61 0.12 Allowed Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG11 ' C ' ' A' ' 93' ' ' PHE . 24.3 t -58.91 -44.41 90.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -174.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.67 5.77 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.193 178.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.869 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 10.3 pttt -84.72 45.16 1.12 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.657 0.741 . . . . 0.0 110.636 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 73.3 m -152.68 -54.26 0.12 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.798 173.228 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.16 -39.76 71.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.702 0.287 . . . . 0.0 111.313 -179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.3 mt -65.8 -44.22 86.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.821 -178.311 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.561 HG21 ' HE1' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -72.34 -29.29 63.67 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.75 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.3 -44.08 97.81 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.427 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -59.23 -46.33 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.916 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -68.23 -7.65 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.104 0.478 . . . . 0.0 111.91 -178.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtm -109.26 -53.45 2.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 121.721 -0.612 . . . . 0.0 111.654 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.04 -12.52 19.64 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.341 0.401 . . . . 0.0 111.949 -172.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 63.7 18.31 11.03 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.456 0.646 . . . . 0.0 110.368 -173.062 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -128.71 154.75 46.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.587 -178.092 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -79.2 145.63 33.53 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.099 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.37 130.32 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.235 0.54 . . . . 0.0 111.211 -177.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -97.16 -69.84 0.74 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.436 178.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -137.13 104.98 5.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.784 178.696 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -168.14 116.17 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.409 -175.18 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.921 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -117.96 -46.79 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -179.1 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.921 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 2.8 Cg_endo -46.06 127.48 10.65 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 122.492 2.128 . . . . 0.0 112.62 179.065 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -154.2 -27.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.462 177.799 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.704 ' HE2' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -53.42 -55.87 21.56 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -171.828 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -116.32 -24.43 7.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.076 0.465 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.6 76.89 6.22 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 48.3 m -91.13 171.34 9.32 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.844 -179.587 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HE1' HG21 ' A' ' 31' ' ' THR . 1.0 OUTLIER -135.92 131.87 35.74 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.372 0.606 . . . . 0.0 112.122 -171.468 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -102.76 121.56 42.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.034 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -98.56 137.36 37.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.224 -179.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -107.82 125.56 51.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.145 173.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.4 m -128.06 146.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 p -114.61 118.81 59.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-O 121.18 0.514 . . . . 0.0 110.107 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -105.88 99.23 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.567 -176.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 62.17 16.52 8.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.027 -0.988 . . . . 0.0 112.996 173.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.42 -57.25 0.4 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 119.234 -1.46 . . . . 0.0 114.686 175.164 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.85 141.37 28.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.391 0.596 . . . . 0.0 111.788 -173.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.94 115.55 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.735 177.171 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.35 144.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.08 -177.29 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -113.31 134.87 54.39 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.305 0.574 . . . . 0.0 111.052 -174.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' SD ' ' A' ' 173' ' ' MET . 11.8 tt -135.11 120.17 28.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.911 178.428 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -106.5 131.87 53.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.359 -176.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.5 HD13 ' HB ' ' A' ' 17' ' ' VAL . 40.3 mm -114.41 126.91 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.126 -173.509 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD21 ' CD2' ' A' ' 82' ' ' TYR . 15.8 tp -112.93 147.27 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.364 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.423 ' N ' ' HG ' ' A' ' 67' ' ' LEU . 7.3 t70 -105.69 116.93 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.867 176.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 20' ' ' VAL . 21.0 p -87.28 179.46 6.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.964 0.411 . . . . 0.0 111.906 -178.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HB2' ' HE2' ' A' ' 47' ' ' LYS . . . -130.15 130.04 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.397 178.394 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.54 61.56 4.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.424 -178.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -160.08 170.81 20.48 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.353 0.261 . . . . 0.0 110.323 179.913 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -89.3 -13.2 38.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -174.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.446 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -65.66 -62.68 1.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.122 0.486 . . . . 0.0 111.302 -177.049 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 48.2 m-85 -82.53 62.0 5.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.178 -177.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.28 -26.38 68.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.504 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.9 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -77.66 -7.47 56.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.731 179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.622 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 5.4 mt -106.76 -32.9 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.333 179.152 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -92.1 -66.41 0.93 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.62 -54.5 7.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.554 0.692 . . . . 0.0 111.248 -172.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.9 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 83.2 m-20 -65.64 -17.73 64.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.69 -172.404 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.622 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.6 OUTLIER -91.78 -30.79 16.04 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.681 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -56.99 -27.84 61.86 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.986 0.422 . . . . 0.0 111.974 -175.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -50.8 -60.01 3.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -173.768 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.631 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 24.0 m -86.34 21.68 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.134 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.525 ' HA2' ' HG2' ' A' ' 16' ' ' LYS . . . -95.8 151.7 20.06 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.48 -0.866 . . . . 0.0 112.683 178.313 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -122.53 -39.0 2.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.572 0.186 . . . . 0.0 111.071 178.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 135.0 12.41 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.12 176.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.27 129.56 45.08 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 122.504 -0.409 . . . . 0.0 111.289 -178.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.5 mt -115.86 123.34 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.978 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 104' ' ' THR . 10.1 mp -97.4 108.66 21.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.631 176.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.36 114.77 47.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.739 0.304 . . . . 0.0 110.897 -178.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.402 ' C ' HG11 ' A' ' 25' ' ' VAL . 5.0 p90 -132.53 175.32 9.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.99 179.129 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -119.98 145.74 46.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.675 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.6 14.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -176.318 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.489 HG21 HD13 ' A' ' 132' ' ' LEU . 6.0 p -108.66 -28.01 9.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.559 0.219 . . . . 0.0 111.438 175.017 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -102.42 113.28 26.48 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.143 0.496 . . . . 0.0 110.178 178.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -74.9 -21.45 59.21 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.267 -178.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -65.64 -48.3 72.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.393 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.5 m -64.64 -25.4 67.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.068 175.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -69.19 -47.25 65.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 0.0 110.574 176.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.0 m -65.58 -29.96 70.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.183 0.516 . . . . 0.0 110.469 177.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.47 64.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.191 -178.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.511 ' HA ' HD23 ' A' ' 91' ' ' LEU . 68.5 p -60.01 -41.54 92.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.017 0.437 . . . . 0.0 110.71 178.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.05 -38.66 82.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.134 177.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 11.4 tp10 -61.62 -50.88 70.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.928 177.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.5 m-85 -58.76 -44.62 90.65 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.587 178.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -53.58 -55.47 25.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.74 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.27 -27.08 62.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.289 -178.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -61.39 -46.82 88.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.173 0.511 . . . . 0.0 110.041 177.188 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.4 mt -57.77 -51.33 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.044 -179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.14 -34.11 76.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.177 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -64.12 -36.25 83.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.931 -175.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 115' ' ' LYS . 16.2 m -97.98 -13.12 8.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.574 -177.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 114' ' ' VAL . 27.6 mtpp -114.53 -106.05 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.119 -177.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.12 15.95 6.73 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.17 0.588 . . . . 0.0 112.285 179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -118.49 13.87 13.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.212 0.53 . . . . 0.0 109.901 179.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -94.23 -172.43 2.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.702 -176.421 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.587 ' OD1' ' HG2' ' A' ' 120' ' ' LYS . 13.9 t70 -81.17 -61.62 1.9 Allowed 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 171.104 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.587 ' HG2' ' OD1' ' A' ' 119' ' ' ASP . 46.0 mmtm -142.66 156.09 45.01 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.46 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 111' ' ' ILE . 67.3 mt -121.59 98.21 46.15 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-O 120.959 0.409 . . . . 0.0 109.954 174.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 2.9 Cg_endo -81.5 115.29 2.83 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.57 2.847 . . . . 0.0 112.063 178.216 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.48 152.37 21.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.143 0.497 . . . . 0.0 110.473 178.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.813 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.4 tp -144.21 119.08 9.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.3 t -92.07 119.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.38 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.66 114.52 47.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.138 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.14 112.24 3.57 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.523 178.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -94.65 165.97 12.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' HD2' ' C2 ' ' A' ' 500' ' ' GNP . 13.8 mmmm 67.62 31.56 6.01 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.655 0.597 . . . . 0.0 109.8 179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.3 t -62.41 -12.54 22.18 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.418 0.628 . . . . 0.0 110.778 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.941 176.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HB2' HD11 ' A' ' 95' ' ' ILE . 86.1 mt -89.91 30.07 1.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.742 179.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -60.35 -24.35 64.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.102 0.41 . . . . 0.0 111.372 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -77.94 -14.51 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.433 179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.451 ' O ' HG22 ' A' ' 96' ' ' THR . 97.1 mtt180 -127.14 9.04 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -175.196 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 112.03 1.52 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.173 0.511 . . . . 0.0 110.64 -174.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -100.88 -29.58 12.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.792 -178.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.39 116.71 67.05 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.528 174.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.2 Cg_exo -61.49 100.06 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.843 1.695 . . . . 0.0 109.757 172.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.4 p -69.52 -14.84 18.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.125 0.488 . . . . 0.0 110.674 -168.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -56.97 -41.88 79.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.621 176.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.9 pt-20 -78.38 -22.8 47.32 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.539 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.14 77.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 173.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 26.1 mtp180 -70.74 -35.56 72.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.761 174.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 14.9 t -63.28 -37.34 86.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.409 177.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 74.9 mmtt -55.81 -47.15 77.67 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.099 0.476 . . . . 0.0 110.199 175.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.53 76.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.652 -177.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.64 -44.5 90.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.62 -178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -70.94 -35.52 72.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.219 -179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -79.25 -16.36 56.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.874 0.369 . . . . 0.0 111.071 -177.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.16 29.12 59.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.792 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.42 -175.41 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 -178.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.813 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.7 pm0 -112.11 146.06 38.67 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.352 177.618 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -122.36 122.39 38.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.879 0.371 . . . . 0.0 110.437 177.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.88 139.2 52.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.016 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -100.37 132.77 45.57 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 51.0 p -134.33 174.73 10.2 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.118 0.485 . . . . 0.0 110.738 -178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 42.7 t -163.53 136.95 5.61 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.551 176.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.478 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -88.47 -3.74 58.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.208 0.528 . . . . 0.0 109.582 174.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.403 ' HB2' ' N1 ' ' A' ' 500' ' ' GNP . 21.8 tptm -82.54 -23.34 34.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.665 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.5 p -123.73 -14.37 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.486 -177.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 63.97 74.14 0.42 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.25 -177.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.01 -161.09 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.665 -178.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -67.91 54.29 0.07 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.789 0.328 . . . . 0.0 111.398 175.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.547 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.1 t -69.08 -47.05 77.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.061 0.458 . . . . 0.0 110.072 -179.347 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.11 -35.03 79.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.776 -178.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -60.92 -47.84 84.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.611 -174.067 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.671 ' HB ' HD21 ' A' ' 124' ' ' LEU . 22.0 m -58.42 -30.11 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.488 0.185 . . . . 0.0 111.383 -175.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -64.17 -56.14 16.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 175.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 68.1 m-85 -62.55 -38.56 90.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.203 -176.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -56.46 -50.89 70.42 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.71 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 40.0 tp -64.99 -42.97 94.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.148 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.647 ' SD ' HD12 ' A' ' 64' ' ' ILE . 45.7 mtp -59.31 -33.71 71.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.04 179.678 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.556 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 12.2 mmt180 -75.45 -38.24 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.216 179.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 11.6 mm-40 -53.39 -36.54 61.55 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.265 0.555 . . . . 0.0 111.847 174.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 173' ' ' MET . 58.1 mt -66.66 -24.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.657 -177.472 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.556 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 83.6 mtm180 -53.62 -51.34 63.4 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.846 0.355 . . . . 0.0 111.363 -179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.5 m -63.99 -31.67 72.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.883 -177.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 120' ' ' LYS . 13.2 mptt -68.87 -42.58 76.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.612 177.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -73.74 -45.61 50.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.701 -177.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.8 mtt -74.87 -40.48 60.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.57 -177.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.9 t 63.39 -77.95 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.517 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -160.93 -70.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 -175.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 184' ' ' ASN . 2.2 t-20 52.23 45.93 27.55 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.597 0.713 . . . . 0.0 110.454 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.094 -179.623 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.9 m -63.42 -33.52 75.74 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.648 0.379 . . . . 0.0 111.35 -174.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -62.71 -41.95 99.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.049 0.452 . . . . 0.0 110.593 -178.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.521 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.9 m -69.44 -42.04 75.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.66 178.112 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 90.5 mt-30 -57.99 -39.37 78.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.394 178.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -55.09 -51.62 65.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.718 177.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.07 -44.37 95.92 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.121 178.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.613 ' O ' HG13 ' B' ' 402' ' ' ILE . 38.4 mm -55.27 -50.67 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.563 0.221 . . . . 0.0 110.806 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 61.5 mtpt -61.53 -39.34 90.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.361 -177.059 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.409 ' CD ' HH21 ' B' ' 403' ' ' ARG . 9.1 mm-40 -65.59 -39.27 91.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.777 177.621 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.32 -37.18 84.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.467 175.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.638 HG12 ' HG ' ' B' ' 439' ' ' LEU . 67.8 mt -60.77 -51.18 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 177.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.409 HH21 ' CD ' ' B' ' 400' ' ' GLU . 36.9 mtm180 -57.31 -35.17 69.52 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.908 0.385 . . . . 0.0 110.497 179.232 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -67.64 -44.96 76.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 82.9 mm-40 -72.93 -35.43 67.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.679 0.276 . . . . 0.0 110.456 -178.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 55.0 mt-10 -65.46 -35.6 81.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 176.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.5 -49.82 76.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.381 173.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.97 -44.86 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.614 179.106 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.447 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.3 tm? -61.92 -48.05 82.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.717 179.212 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.71 -44.82 90.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.886 177.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -53.85 49.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.243 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -52.57 -53.81 41.43 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.591 0.356 . . . . 0.0 111.875 176.857 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -58.29 -50.22 74.38 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mtp180 -77.19 -30.07 54.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.759 -172.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.04 -49.62 64.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.304 0.573 . . . . 0.0 110.022 178.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 44.8 mt -70.22 -32.61 70.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.217 -177.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.495 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 10.0 mt-30 -67.32 -9.84 45.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.836 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.14 -9.72 86.78 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.146 175.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.16 17.01 7.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.854 177.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.1 mt -102.97 129.51 54.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.86 137.32 23.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.959 0.885 . . . . 0.0 112.379 -178.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 15.9 t70 -148.76 171.66 15.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.095 -1.411 . . . . 0.0 107.271 177.411 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.438 HD23 ' H ' ' B' ' 423' ' ' LEU . 0.2 OUTLIER -72.94 -24.75 60.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 118.916 0.78 . . . . 0.0 109.786 174.306 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 m -65.24 -38.55 90.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.201 179.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.737 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -70.42 -34.91 73.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.7 -172.734 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.737 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.5 pt-20 -72.98 -37.28 67.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.638 0.256 . . . . 0.0 110.311 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.15 -43.57 91.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.525 175.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.602 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.41 -37.13 82.61 Favored 'General case' 0 CA--C 1.522 -0.116 0 C-N-CA 121.227 -0.189 . . . . 0.0 110.937 -179.191 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.553 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 11.0 mt -56.64 -56.35 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.803 -179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 67.3 m95 -61.72 -31.08 71.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.376 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.573 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 5.3 mm-40 -63.73 -54.32 37.26 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.051 -0.259 . . . . 0.0 111.2 177.382 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.602 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.1 t -56.49 -35.96 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.891 0.853 . . . . 0.0 108.962 177.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.423 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 28.3 tp60 -60.73 -58.72 7.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.408 -177.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -68.78 -26.53 65.26 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.727 -177.622 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.97 -52.81 44.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 173.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.9 tp -61.76 -44.83 96.12 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.041 -177.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.571 HG22 ' HA ' ' B' ' 434' ' ' ARG . 9.6 t -65.37 -40.82 94.04 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.034 -175.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.57 -36.21 80.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 176.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.638 ' HG ' HG12 ' B' ' 402' ' ' ILE . 31.4 tp -67.49 -37.0 82.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.372 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -62.71 -39.68 94.8 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.442 0.639 . . . . 0.0 109.691 175.384 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 2.7 tmt_? -66.97 -40.88 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.208 177.07 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -57.95 -31.96 67.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.083 176.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.6 tp -63.86 -43.64 95.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.911 0.386 . . . . 0.0 110.371 175.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -80.65 -3.52 50.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.422 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -99.53 -30.79 11.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 110.491 176.508 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.474 -177.632 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.501 ' C2 ' ' HD2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . 0.589 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 112.047 -0.421 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.45 HE22 ' HG2' ' A' ' 181' ' ' MET . 18.6 mt-30 61.16 63.09 1.28 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.25 0.547 . . . . 0.0 110.63 -177.06 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 67.48 -88.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.449 -179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' HE2' ' A' ' 180' ' ' LYS . 30.9 t -173.84 94.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 110.67 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 ' HB3' ' HG3' ' A' ' 180' ' ' LYS . 1.1 pt? -125.2 -2.4 7.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.844 173.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.76 -10.19 59.22 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 122.097 0.951 . . . . 0.0 109.599 173.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 7.7 mp -119.4 135.75 54.6 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.621 171.276 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -120.49 118.04 29.23 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.079 -174.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HE3' ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -96.11 107.54 19.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.915 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.18 124.18 59.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.577 0.703 . . . . 0.0 111.417 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mt -113.31 128.75 69.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.532 -178.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.6 mtt -89.9 104.57 17.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.247 0.546 . . . . 0.0 109.847 174.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.582 HG23 HD23 ' A' ' 91' ' ' LEU . 6.3 m -100.02 95.42 4.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.769 0.795 . . . . 0.0 111.978 -174.4 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.555 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . -108.35 174.22 18.66 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 169.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.707 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 11.7 p -73.81 -95.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.748 0.774 . . . . 0.0 110.269 -174.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -52.55 12.99 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 173.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.92 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . 164.33 102.34 0.17 Allowed Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.009 175.66 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 93' ' ' PHE . 57.1 t -92.51 -82.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.767 0.317 . . . . 0.0 110.295 177.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -121.01 12.73 9.81 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.907 -178.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.92 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 51.5 pttt -72.39 -20.09 61.5 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.391 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -96.35 -31.18 13.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.174 0.511 . . . . 0.0 110.338 172.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.57 -52.48 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.251 -174.893 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.894 HD11 HD21 ' A' ' 128' ' ' ASN . 83.1 mt -70.82 -35.72 72.61 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -170.831 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.4 p -66.16 -41.23 90.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -175.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.6 tp -62.05 -34.91 77.13 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.806 0.336 . . . . 0.0 110.557 177.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 1.001 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.0 mm-40 -64.24 -46.16 84.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.364 179.077 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -70.69 -22.29 62.48 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.885 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 51' ' ' TYR . 52.2 ttm -88.33 -52.74 5.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.265 -175.022 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 68.3 m-85 -121.75 -6.66 9.1 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -175.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 68.38 8.15 6.44 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 10.8 pt-20 -99.05 140.94 32.46 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.934 0.397 . . . . 0.0 110.466 -179.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 1.001 ' HA ' HE22 ' A' ' 33' ' ' GLN . 81.6 t80 -76.77 135.15 38.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -69.77 106.37 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.49 0.662 . . . . 0.0 111.428 -178.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -85.71 -48.14 9.12 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -155.86 94.84 1.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.036 179.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -152.22 105.12 3.02 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.805 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.9 mm-40 -100.89 -41.81 0.22 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 113.272 0.841 . . . . 0.0 113.272 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.3 Cg_endo -44.78 116.76 1.25 Allowed 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.686 2.257 . . . . 0.0 113.037 176.434 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -163.01 29.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.298 176.484 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -86.6 -57.81 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.965 -173.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.88 -2.01 7.2 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.306 0.574 . . . . 0.0 110.557 175.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -96.29 122.21 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.712 0.768 . . . . 0.0 110.956 -176.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.1 t -143.41 170.46 15.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.591 -1.262 . . . . 0.0 107.591 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.525 ' HB2' ' SD ' ' A' ' 35' ' ' MET . 91.6 m-85 -134.6 136.05 42.65 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.952 0.406 . . . . 0.0 111.176 -171.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -75.45 106.19 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.481 -177.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -101.34 135.54 42.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.419 -178.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 37.3 ttmt -109.82 140.05 44.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.926 0.393 . . . . 0.0 110.53 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.63 -179.53 3.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 175.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.2 p -152.32 114.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 O-C-N 121.764 -0.585 . . . . 0.0 111.658 172.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.35 96.05 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 173.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 18.79 83.07 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 125.096 1.497 . . . . 0.0 113.909 -177.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 158.12 -106.75 0.3 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.323 -0.941 . . . . 0.0 112.896 -178.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 56' ' ' VAL . 9.8 pt-20 -103.51 151.55 22.73 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -176.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 94.1 mt-10 -62.47 120.75 11.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.379 0.609 . . . . 0.0 110.79 -178.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.1 t -107.26 144.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.314 -174.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.6 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 59.9 mt-30 -113.49 136.33 52.92 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.154 -177.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 ' SD ' ' A' ' 173' ' ' MET . 19.7 tt -113.85 140.75 32.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.556 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 32.4 t70 -115.29 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.96 -174.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.34 135.95 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.855 -175.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 40.6 tp -132.05 135.08 46.23 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.748 172.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -100.87 166.32 10.9 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 p -131.96 132.86 43.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -173.078 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 102.32 8.35 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 170.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -89.58 77.9 1.64 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.392 -0.908 . . . . 0.0 113.418 -172.403 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 75' ' ' TYR . 1.4 pp -155.51 170.18 22.56 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.6 mp0 -56.62 -38.86 72.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.703 0.627 . . . . 0.0 112.346 -173.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.97 -68.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.121 -175.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 78' ' ' ILE . 50.9 m-85 -79.96 62.1 4.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.276 -171.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.97 67.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.516 0.675 . . . . 0.0 110.204 174.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 81' ' ' ASN . . . -74.89 -6.78 51.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.823 -178.223 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.801 HG12 ' HB3' ' A' ' 75' ' ' TYR . 15.2 mm -96.85 -41.61 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -92.11 -65.73 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.048 0.452 . . . . 0.0 111.757 -173.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.82 -33.0 62.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.56 0.695 . . . . 0.0 110.974 -170.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.865 HD21 HD23 ' B' ' 416' ' ' LEU . 53.7 t30 -76.97 -19.51 57.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.915 -173.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.49 ' OH ' HD11 ' B' ' 409' ' ' LEU . 4.6 m-85 -94.17 -13.03 27.12 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -177.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' HB2' HG21 ' A' ' 114' ' ' VAL . 16.6 m-85 -62.02 -22.97 66.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.223 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -51.65 -61.89 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.024 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 3.3 m -93.02 25.7 3.12 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -175.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.68 174.17 51.14 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.906 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.509 ' HB3' ' HB2' ' A' ' 16' ' ' LYS . 45.7 tt0 -141.59 -70.07 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -176.002 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 136.61 13.61 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.837 -0.696 . . . . 0.0 111.627 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -123.01 127.56 48.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.128 0.49 . . . . 0.0 111.267 -176.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD23 ' HB3' ' A' ' 124' ' ' LEU . 91.5 mt -107.55 111.2 23.34 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.136 176.398 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD12 HG22 ' A' ' 125' ' ' VAL . 96.0 mt -79.02 106.87 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 176.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HB ' ' A' ' 126' ' ' VAL . 14.9 m -111.8 114.67 47.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.544 0.688 . . . . 0.0 111.092 -176.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.421 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -133.16 171.88 13.42 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.963 -179.365 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 t -109.7 130.28 55.53 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.63 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.26 -8.89 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.306 0.574 . . . . 0.0 110.119 -179.151 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.78 -40.4 48.32 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.05 -179.419 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -101.66 109.44 21.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -61.64 -26.1 67.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.138 0.494 . . . . 0.0 110.082 177.068 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.66 -47.52 84.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.45 175.1 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.9 m -59.33 -35.82 74.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.83 -35.19 78.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.227 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 m -66.34 -27.38 67.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.126 0.489 . . . . 0.0 111.309 -176.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.87 -14.53 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.115 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.7 p -57.11 -40.41 77.01 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 111.83 -177.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.76 -31.36 72.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.55 -48.46 69.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.081 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.412 ' O ' HG13 ' A' ' 111' ' ' ILE . 15.4 m-85 -57.73 -45.04 86.35 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.242 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -55.51 -52.34 64.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.053 -177.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.9 mt-10 -62.07 -45.5 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.637 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 114' ' ' VAL . 0.8 OUTLIER -55.92 -39.82 72.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.558 0.218 . . . . 0.0 110.952 179.264 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.4 mt -65.22 -52.83 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.806 177.743 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.18 -37.03 81.47 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.202 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 98.9 mtt180 -67.78 -32.61 73.31 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -177.347 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.45 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -97.97 -13.84 7.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -177.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -107.28 -87.4 0.48 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 116.831 -0.168 . . . . 0.0 111.167 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.47 -68.06 0.14 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.968 0.907 . . . . 0.0 113.248 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -84.48 44.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.115 0.483 . . . . 0.0 111.933 -172.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.0 171.15 8.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.206 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.58 -68.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.572 173.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.583 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 73.3 mmtt -151.76 131.6 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mt -101.83 98.32 9.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 73.2 Cg_endo -90.19 130.95 1.74 Allowed 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 123.263 2.642 . . . . 0.0 112.442 -178.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.528 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.9 mp -127.03 137.76 53.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.501 . . . . 0.0 110.743 179.495 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.832 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.8 tp -123.66 119.8 30.89 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.813 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.6 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -89.64 121.47 39.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.106 -177.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.569 ' HB ' HG12 ' A' ' 92' ' ' VAL . 51.8 t -105.35 125.81 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.79 -176.578 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.47 91.42 1.42 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.901 177.196 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.894 HD21 HD11 ' A' ' 30' ' ' LEU . 20.6 m120 -83.21 167.22 17.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.427 0.156 . . . . 0.0 110.739 -178.217 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.6 mmmt 64.98 14.92 9.66 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.929 0.768 . . . . 0.0 111.319 179.267 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.4 p -71.56 -7.67 49.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.991 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -86.27 17.47 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.595 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 135' ' ' ARG . 2.8 tp -94.48 -51.53 4.72 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 71.14 -56.62 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.986 0.914 . . . . 0.0 112.39 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -45.12 -55.7 5.44 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.561 ' HB2' HD21 ' A' ' 132' ' ' LEU . 72.7 mtt180 -115.21 47.83 1.25 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.043 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 ttm105 -63.9 112.27 2.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 172.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -88.36 -27.46 21.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.8 t -99.75 110.71 59.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.518 179.173 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.68 115.06 2.43 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.302 2.001 . . . . 0.0 110.409 173.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.574 HG12 ' HD2' ' A' ' 144' ' ' ARG . 21.2 t -59.62 -26.1 33.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.066 -175.127 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -55.33 -56.67 17.38 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -178.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.15 -21.94 55.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.743 0.306 . . . . 0.0 111.089 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.86 -41.55 91.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.029 0.442 . . . . 0.0 110.224 175.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.574 ' HD2' HG12 ' A' ' 140' ' ' VAL . 48.1 mtp180 -71.65 -31.84 67.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.138 177.156 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.7 t -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.6 176.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.3 mmtp -65.82 -29.94 70.49 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.029 178.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.85 -41.14 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.205 175.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -65.91 -36.2 82.74 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.733 178.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.1 -39.9 96.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.831 -178.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -98.27 0.3 45.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.095 -175.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.07 38.49 88.42 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.528 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 25.8 m -126.08 -175.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 -177.193 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.832 ' HG2' HD13 ' A' ' 124' ' ' LEU . 12.6 pm0 -112.97 153.07 28.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.157 176.055 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.424 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 94.0 t80 -122.5 125.76 46.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.608 177.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.6 133.0 62.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.101 -179.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -85.07 130.6 34.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 30.6 m -134.88 130.07 35.37 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.444 0.64 . . . . 0.0 111.339 -177.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 162' ' ' ARG . 10.2 p -106.8 132.64 52.53 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.853 178.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.93 -11.86 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.966 -0.293 . . . . 0.0 111.73 -176.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.471 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 26.2 tptp -85.04 -49.79 8.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.111 0.481 . . . . 0.0 109.87 178.637 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.41 -24.04 32.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.315 174.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 158' ' ' SER . 70.6 mtm180 65.48 85.49 0.14 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.509 179.075 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.45 135.04 29.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.765 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 69.02 10.9 8.15 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.79 0.681 . . . . 0.0 111.501 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.83 -43.83 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.869 0.366 . . . . 0.0 110.281 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -76.29 -28.8 57.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -60.64 -49.75 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.32 -177.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 26.8 m -60.29 -25.71 34.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -175.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -75.66 -57.38 3.92 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.398 176.135 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 173' ' ' MET . 66.6 m-85 -66.38 -33.32 75.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.3 -174.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.54 -52.09 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.282 -179.254 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.3 tp -73.11 -35.32 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.638 179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.473 ' SD ' HD12 ' A' ' 64' ' ' ILE . 55.9 mtp -63.14 -30.84 71.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.561 -178.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 20.4 mmm180 -70.01 -39.09 76.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.748 176.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.74 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 23.4 mt-10 -62.43 -35.17 78.4 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.836 176.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mt -55.93 -25.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.26 -179.448 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -71.23 -49.37 44.01 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.3 m -62.72 -29.7 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.264 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.74 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 34.5 mmtt -66.77 -46.09 76.45 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.08 0.467 . . . . 0.0 110.021 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HG3' ' HB3' ' A' ' 12' ' ' LEU . 44.4 mmtm -74.66 -35.7 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.267 179.101 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.45 ' HG2' HE22 ' A' ' 9' ' ' GLN . 62.2 mtt -85.49 1.81 47.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -175.162 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 67.8 m -44.57 -38.65 4.36 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -175.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 185' ' ' LYS . 33.7 tt0 -92.12 107.19 19.03 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -98.08 8.0 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.401 ' HG3' ' HG2' ' A' ' 183' ' ' GLU . 1.9 ptmm? . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.45 177.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 41.4 p -176.26 -33.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -176.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 0.0 OUTLIER -51.33 -46.63 62.69 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.837 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m -73.24 -42.87 62.08 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.032 0.444 . . . . 0.0 110.794 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.424 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 42.6 mt-30 -66.05 -27.13 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.39 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.11 -54.91 33.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.619 -179.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.95 -34.84 91.01 Favored Glycine 0 C--N 1.329 0.189 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.824 178.445 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.6 mm -64.54 -53.51 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.541 178.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' B' ' 402' ' ' ILE . 98.2 mttt -58.31 -43.66 88.25 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.419 -177.136 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -59.9 -37.79 80.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 49.4 mm-40 -74.5 -37.27 63.16 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.272 176.089 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.685 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.6 mt -55.64 -53.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 174.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.507 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.4 mmm180 -62.93 -33.51 75.49 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.114 -178.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 44.0 ttt180 -59.72 -52.25 66.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.886 176.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 66.9 mm-40 -73.45 -32.15 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.618 -176.711 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.546 ' CG ' HD21 ' B' ' 436' ' ' LEU . 48.7 mt-10 -60.16 -43.43 95.78 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.617 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -68.87 -43.31 75.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.831 177.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.4 mt -60.57 -52.22 66.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.094 -178.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.552 HD13 HG13 ' B' ' 432' ' ' VAL . 55.4 tp -66.63 -32.72 74.23 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.489 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -62.39 -43.6 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.255 175.346 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.1 t -59.85 -51.88 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.582 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -51.94 -43.17 63.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.052 175.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.554 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 12.9 m170 -67.97 -38.23 82.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.67 -178.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -77.6 -52.43 9.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.75 -53.57 56.74 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 111.611 -176.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.865 HD23 HD21 ' A' ' 81' ' ' ASN . 1.9 mp -64.8 -26.65 68.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.337 -175.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.3 tt0 -67.38 -11.98 59.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.011 -176.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.18 5.96 84.19 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.341 177.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.77 9.25 57.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.269 179.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 69.4 mt -82.93 126.98 40.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 110.549 -179.242 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -133.24 144.09 49.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.93 0.872 . . . . 0.0 112.37 -177.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.7 t70 -151.53 168.61 24.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 173.062 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -72.63 -30.0 63.95 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.807 0.813 . . . . 0.0 109.254 171.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.3 m -68.08 -32.15 72.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.325 -178.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.741 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.09 -37.03 72.43 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.351 -172.858 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.741 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.4 pt-20 -74.36 -44.39 52.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.637 0.256 . . . . 0.0 111.122 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -62.88 -39.06 93.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.53 176.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.478 ' O ' HG12 ' B' ' 432' ' ' VAL . 14.2 mmt180 -65.5 -39.48 91.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.019 175.537 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 10.1 mt -55.41 -52.68 62.79 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 123.577 0.548 . . . . 0.0 111.831 -176.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.623 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 86.9 m95 -70.77 -44.67 66.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.398 -176.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -60.25 -52.72 64.07 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.768 -178.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.616 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.3 p -62.19 -34.04 61.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.43 -48.13 77.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.149 176.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.623 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.3 mpt_? -68.08 -39.74 82.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.767 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' B' ' 432' ' ' VAL . 34.8 mt -62.24 -42.25 94.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.187 178.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.546 HD21 ' CG ' ' B' ' 406' ' ' GLU . 2.8 tm? -57.78 -48.42 79.74 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.132 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.478 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.5 t -74.13 -32.49 63.19 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.966 -176.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.72 -36.12 82.71 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 109.949 175.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.685 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.2 OUTLIER -62.18 -50.2 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.964 176.687 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -63.17 -29.2 70.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.319 0.58 . . . . 0.0 110.751 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -68.61 -46.0 70.46 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.6 mmmm -64.42 -27.84 69.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.885 177.555 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.666 ' HB2' HD11 ' B' ' 402' ' ' ILE . 65.6 tp -60.66 -46.13 91.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.144 0.497 . . . . 0.0 110.571 175.097 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -81.9 -5.98 58.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.997 179.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.484 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 4.9 tp10 -93.23 -10.58 35.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.282 0.563 . . . . 0.0 110.169 177.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.607 -0.711 . . . . 0.0 110.987 -179.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.471 ' N2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' C ' ' A' ' 181' ' ' MET . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.356 -0.298 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 181' ' ' MET . 28.7 pt20 -149.14 167.93 24.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.704 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m -86.9 -30.56 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.184 0.516 . . . . 0.0 110.54 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -81.8 91.75 6.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.651 -178.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.594 HD22 ' HE3' ' A' ' 180' ' ' LYS . 63.9 mt -108.41 -68.17 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.233 -178.415 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.424 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 59.0 14.54 3.44 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 175.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 60.8 tp -150.97 148.22 28.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.653 0.263 . . . . 0.0 110.561 -178.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -137.5 143.27 41.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.793 174.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.673 ' CG ' ' HA2' ' A' ' 86' ' ' GLY . 13.3 tppt? -117.99 107.39 13.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.226 0.536 . . . . 0.0 111.348 174.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 88' ' ' GLY . 26.9 m -117.65 138.19 49.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.778 173.289 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.426 ' HB ' ' CD2' ' A' ' 89' ' ' PHE . 70.4 mt -127.85 126.01 65.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.218 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 59.8 mtt -93.24 135.42 34.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 m -132.5 143.61 39.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.309 176.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.44 83.67 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.744 -177.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.538 ' H ' ' HZ ' ' A' ' 107' ' ' PHE . 46.1 m 56.75 -154.38 0.34 Allowed 'General case' 0 C--O 1.238 0.479 0 O-C-N 124.037 0.492 . . . . 0.0 110.041 -177.31 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -52.43 -48.26 55.04 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.143 -0.551 . . . . 0.0 111.868 175.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.754 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 170.31 63.92 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.605 175.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.7 t -51.44 -67.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 O-C-N 123.949 0.44 . . . . 0.0 112.054 -176.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.22 3.93 9.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.155 -176.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HE3' ' HA2' ' A' ' 24' ' ' GLY . 21.2 pttp -87.46 38.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.618 0.723 . . . . 0.0 111.586 -173.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.1 m -141.96 -44.07 0.34 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.161 173.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.61 -49.35 48.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.007 -179.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.73 -36.45 81.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.28 0.562 . . . . 0.0 110.59 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -49.73 67.91 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.219 -177.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 40' ' ' VAL . 20.8 tp -62.58 -35.76 80.54 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.061 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 57.2 mm-40 -56.47 -47.09 79.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.247 0.546 . . . . 0.0 110.868 176.151 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -72.93 -31.42 64.6 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.515 -177.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 55.1 mtm -86.44 -56.2 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -173.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -110.77 -0.57 16.97 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 t70 69.51 16.54 8.14 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.455 0.645 . . . . 0.0 110.795 177.126 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -116.96 150.66 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.283 -177.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.08 150.81 37.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.422 ' HA ' HD23 ' A' ' 32' ' ' LEU . 6.5 p -71.81 102.95 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.895 0.855 . . . . 0.0 112.453 -173.306 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -101.0 -40.99 6.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.604 174.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -143.03 117.69 9.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.845 -177.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -171.58 91.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.774 173.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 53.1 mm-40 -78.77 -45.85 1.86 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.89 -179.541 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 19.5 Cg_endo -59.71 104.36 0.22 Allowed 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 121.636 1.558 . . . . 0.0 111.394 173.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 44' ' ' GLU . 9.1 t -156.11 13.64 0.32 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.253 -176.463 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -85.17 -59.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.375 -177.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.53 -5.48 5.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.384 173.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -63.54 145.73 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.426 -0.807 . . . . 0.0 111.522 -173.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.6 p -142.29 161.82 37.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.169 -179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 61.4 t80 -140.91 138.93 34.22 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -178.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -100.21 121.31 41.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.209 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -98.02 133.06 43.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.15 -177.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' CD ' ' A' ' 61' ' ' GLU . 35.8 ttmt -93.77 122.77 36.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.341 176.564 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.22 143.86 34.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.545 174.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.2 p -120.83 126.1 74.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.041 0.448 . . . . 0.0 110.351 -178.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.7 mt -108.52 95.98 6.03 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.231 178.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 46.67 31.31 1.36 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.217 0.948 . . . . 0.0 112.617 175.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.26 -109.47 0.22 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 119.816 -1.183 . . . . 0.0 114.011 -174.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -101.96 152.72 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -175.011 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' CD ' ' HD3' ' A' ' 54' ' ' LYS . 57.8 mt-10 -70.77 117.55 12.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.18 0.514 . . . . 0.0 109.875 178.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 13' ' ' ALA . 3.9 t -106.25 147.12 12.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.477 -174.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 26.3 mt-30 -113.02 129.92 56.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.319 0.581 . . . . 0.0 110.605 -179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.544 HD12 ' SD ' ' A' ' 173' ' ' MET . 8.3 tt -111.64 122.13 65.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.372 175.08 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 16' ' ' LYS . 25.6 t0 -99.72 110.85 23.23 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -178.669 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.22 138.52 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.69 0.281 . . . . 0.0 110.49 -174.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.699 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 50.6 tp -116.63 132.71 56.61 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.617 -177.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -101.43 111.24 23.42 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.4 p -83.73 159.9 21.39 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -170.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 110.74 21.53 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 173.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.54 65.34 4.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.708 -178.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -153.0 168.56 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.805 0.336 . . . . 0.0 110.767 179.063 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.81 -21.12 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.7 -177.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.453 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.1 m-20 -58.98 -72.46 0.1 Allowed 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.509 0.671 . . . . 0.0 111.395 -177.236 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.442 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.1 m-85 -80.61 68.34 6.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.061 -174.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.09 -20.75 65.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.025 174.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -69.68 -7.21 37.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.268 178.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.438 HG13 ' HB3' ' A' ' 75' ' ' TYR . 49.0 mt -102.04 -22.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.093 0.473 . . . . 0.0 109.826 176.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 79' ' ' ARG . 21.8 mtt180 -87.87 -65.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.25 178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -64.49 -51.51 62.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.37 -170.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 56.1 m-20 -69.41 -48.08 62.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.02 -173.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -66.5 -29.81 70.0 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.846 -175.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CB ' HG21 ' A' ' 114' ' ' VAL . 9.2 m-30 -69.04 -31.59 70.49 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -174.738 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -59.37 -44.54 92.71 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.843 0.354 . . . . 0.0 111.397 -176.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.519 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 29.8 t -82.91 19.21 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.73 0.3 . . . . 0.0 110.881 -178.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.673 ' HA2' ' CG ' ' A' ' 16' ' ' LYS . . . -95.43 151.67 20.1 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.442 179.427 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 34.5 mt-10 -112.21 -68.95 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 17' ' ' VAL . . . -106.31 149.34 16.63 Favored Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' HB ' ' A' ' 18' ' ' ILE . 83.1 m-85 -129.52 148.09 51.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.107 0.479 . . . . 0.0 111.014 -176.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.7 mt -118.23 113.71 21.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.682 -178.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 125' ' ' VAL . 45.5 mt -86.95 106.85 18.09 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.717 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB ' ' A' ' 126' ' ' VAL . 20.3 m -111.67 115.65 50.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.429 0.633 . . . . 0.0 111.631 -175.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -139.37 159.44 42.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.468 178.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.6 p -111.96 141.86 45.08 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.751 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.34 14.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.814 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.485 ' CG2' HD22 ' A' ' 132' ' ' LEU . 32.0 p -102.1 -21.07 14.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.271 0.558 . . . . 0.0 109.649 174.15 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -105.56 113.32 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.14 -176.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -71.81 -26.82 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 177.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.24 -57.88 10.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.473 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 11.9 p -67.54 -26.44 66.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.025 -175.376 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -64.55 -49.46 71.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.573 176.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 m -72.11 -29.1 63.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.386 0.613 . . . . 0.0 110.373 177.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -70.1 -15.37 62.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.056 -178.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' SER . 41.3 p -57.62 -39.01 75.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.94 0.4 . . . . 0.0 110.82 179.21 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.7 -34.68 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.55 177.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -70.7 -45.71 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.919 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.538 ' HZ ' ' H ' ' A' ' 22' ' ' SER . 19.3 m-85 -57.5 -49.81 75.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.11 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -54.44 -57.42 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.84 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 113' ' ' ARG . 35.1 mt-10 -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.381 -177.096 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 79' ' ' ARG . 7.2 tp-100 -71.25 -32.78 69.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.181 0.515 . . . . 0.0 110.401 178.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 121' ' ' ILE . 67.7 mt -73.83 -42.45 53.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.468 178.128 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.531 ' HG ' HD12 ' A' ' 121' ' ' ILE . 6.7 mp -77.49 -5.2 49.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.212 0.529 . . . . 0.0 110.516 176.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 109' ' ' GLU . 19.3 tpp180 -78.5 -27.46 46.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.4 m -109.25 -25.2 3.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.959 -177.15 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.582 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 28.4 mtmt -125.5 154.65 41.77 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.847 0.356 . . . . 0.0 110.115 -178.021 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.112 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.23 4.62 24.9 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -169.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.582 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -59.56 -63.92 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 176.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.42 ' OD1' ' HD2' ' A' ' 179' ' ' LYS . 11.2 t70 -161.22 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 171.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.21 179.04 7.78 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 172.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.618 HD13 HG22 ' A' ' 111' ' ' ILE . 76.6 mt -127.44 100.44 25.9 Favored Pre-proline 0 C--N 1.308 -1.226 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.387 178.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HB2' HD11 ' A' ' 172' ' ' LEU . 5.2 Cg_exo -77.61 108.17 2.52 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.3 2.667 . . . . 0.0 111.84 178.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 121' ' ' ILE . 4.2 mp -106.09 121.53 44.33 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.05 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.926 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -104.69 117.46 34.15 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.018 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.841 HG22 HD12 ' A' ' 91' ' ' LEU . 14.3 t -84.99 114.67 25.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.96 -178.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.621 ' HB ' HG12 ' A' ' 92' ' ' VAL . 43.7 t -108.78 109.13 27.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.524 -177.192 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.87 93.57 1.76 Allowed Glycine 0 CA--C 1.507 -0.447 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 176.752 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -88.97 166.1 14.14 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -175.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.537 ' HA ' ' OD2' ' A' ' 131' ' ' ASP . 9.9 mptt 63.9 58.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 -171.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.8 m -84.89 8.14 18.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.71 0.766 . . . . 0.0 109.153 170.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.537 ' OD2' ' HA ' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -77.85 -21.61 51.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.854 -1.067 . . . . 0.0 110.668 -176.087 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.622 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.4 OUTLIER -80.81 -54.66 5.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.683 -178.049 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 65.24 -74.26 0.05 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.713 0.805 . . . . 0.0 112.037 -177.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.82 -12.52 61.33 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.11 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.622 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 57.1 mtt180 -86.07 9.69 16.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.906 0.384 . . . . 0.0 110.3 178.094 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.97 113.43 3.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.343 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -103.38 -18.97 14.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.176 0.513 . . . . 0.0 110.394 179.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.6 p -118.08 121.56 31.29 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.786 176.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.03 108.29 0.29 Allowed 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.983 2.455 . . . . 0.0 111.994 179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -72.84 -13.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.846 -176.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 2.1 mp0 -56.88 -47.26 80.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.251 178.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -83.43 -24.42 31.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.758 179.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.8 75.67 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.101 0.477 . . . . 0.0 110.196 175.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.9 mtp180 -64.43 -38.57 91.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.999 174.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.507 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 15.4 t -68.78 -25.3 64.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.82 -178.073 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -63.2 -43.23 98.76 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 122.291 -0.256 . . . . 0.0 111.588 171.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.618 . . . . 0.0 109.597 174.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 32.4 tt0 -59.95 -38.35 82.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.888 175.437 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -59.84 -44.62 93.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.103 -179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -88.79 -8.52 54.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.895 -175.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.71 29.63 38.52 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.518 178.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.6 m -114.68 -172.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.521 0.201 . . . . 0.0 110.946 -178.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.926 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.2 pm0 -108.56 147.46 31.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -117.68 126.3 52.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.647 174.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 48.9 t -128.43 120.43 52.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.637 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -84.11 134.37 34.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.7 p -126.21 130.29 50.67 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.409 0.624 . . . . 0.0 112.392 -175.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' ' 163' ' ' ALA . 42.9 t -93.95 110.74 22.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 171.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.711 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -91.32 -3.85 56.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.354 -173.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -96.06 -12.55 24.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.293 178.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.2 p -126.59 -8.78 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.361 0.601 . . . . 0.0 109.982 -177.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 62.99 77.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.761 -1.108 . . . . 0.0 110.584 -175.391 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.428 ' HB3' ' HB3' ' A' ' 158' ' ' SER . . . -126.8 123.87 38.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.022 177.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 68.12 10.96 8.16 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.135 0.897 . . . . 0.0 111.528 -179.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 67.6 t -72.01 -49.31 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 110.272 -178.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.84 -30.5 71.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.574 179.337 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 171' ' ' ASP . 60.5 tttp -60.33 -56.29 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.826 -177.52 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 32.3 m -57.71 -27.14 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -170.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -74.63 -54.89 6.58 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.033 179.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -70.33 -34.77 73.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.329 -177.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.501 ' HB2' ' O ' ' A' ' 167' ' ' LYS . 0.5 OUTLIER -58.84 -51.37 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.347 -177.933 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 122' ' ' PRO . 49.7 tp -71.93 -37.4 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.577 -178.097 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.544 ' SD ' HD12 ' A' ' 64' ' ' ILE . 46.1 mtm -58.41 -30.17 66.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.913 -178.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 174' ' ' ARG . 15.8 mmt180 -65.23 -48.98 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.048 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.04 -30.32 71.28 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.897 0.38 . . . . 0.0 110.531 177.244 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 173' ' ' MET . 64.3 mt -62.13 -36.9 76.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 176.174 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -59.86 -44.5 94.12 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.089 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.5 m -62.72 -32.19 73.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 -179.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.42 ' HD2' ' OD1' ' A' ' 119' ' ' ASP . 68.2 mmtt -69.83 -37.63 76.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.096 0.474 . . . . 0.0 111.262 177.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.594 ' HE3' HD22 ' A' ' 12' ' ' LEU . 26.6 mtpp -76.0 -30.15 58.44 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.09 0.471 . . . . 0.0 110.438 177.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.495 ' C ' ' HA3' ' A' ' 8' ' ' GLY . 75.2 mtm -87.97 -0.34 56.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.461 179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 75.7 m -43.26 116.3 0.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -174.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 70.1 125.29 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.634 -1.166 . . . . 0.0 112.795 174.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -116.85 17.73 14.99 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.76 173.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt . . . . . 0 C--O 1.247 0.962 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.296 -177.03 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.591 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.0 p -66.51 -31.93 72.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -176.697 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -63.4 -36.1 82.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.031 0.443 . . . . 0.0 110.696 178.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.499 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.3 m -73.21 -37.44 66.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.375 177.59 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 90.5 mt-30 -60.24 -31.65 70.4 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.226 -179.179 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.42 -51.73 63.99 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.922 0.391 . . . . 0.0 110.665 178.208 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -66.48 -39.39 94.03 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.017 178.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' B' ' 442' ' ' LYS . 50.0 mm -59.31 -51.3 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.732 0.301 . . . . 0.0 111.299 179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.11 -39.22 78.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.174 -178.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.58 -43.69 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 176.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.525 ' HB2' HD11 ' B' ' 439' ' ' LEU . 53.5 mt-10 -65.97 -44.05 86.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.647 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.0 mt -53.46 -54.22 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.566 179.003 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -68.3 -29.31 68.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.733 -176.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -61.22 -52.69 63.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.857 174.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.426 ' OE1' HG23 ' B' ' 432' ' ' VAL . 83.0 mm-40 -66.59 -28.29 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -177.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.53 -41.32 89.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.073 173.193 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -67.86 -52.12 40.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.843 178.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.419 ' O ' HD23 ' B' ' 412' ' ' LEU . 7.4 mp -56.41 -46.45 80.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 177.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 429' ' ' LEU . 26.9 tp -66.04 -37.42 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.992 0.425 . . . . 0.0 110.259 179.011 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -64.41 -37.88 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.151 177.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 15.6 t -59.47 -53.02 62.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.449 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.419 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.9 mm? -57.26 -36.56 71.13 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.103 0.478 . . . . 0.0 110.774 175.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.6 m-70 -69.72 -38.97 77.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.693 -178.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -78.01 -44.53 26.31 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -59.48 -54.74 43.18 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.5 0.667 . . . . 0.0 110.977 -175.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.646 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 8.3 mp -70.89 -25.98 63.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.335 -175.214 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.708 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 7.4 tt0 -64.5 -16.64 62.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 -176.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.11 0.42 67.32 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 121.298 -0.477 . . . . 0.0 112.908 178.451 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 -3.99 34.95 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.503 176.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 11.4 mt -107.53 135.76 45.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.478 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 166.48 32.62 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.263 170.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 17.8 t70 -147.99 159.57 43.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.491 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 0.5 OUTLIER -64.2 -29.43 70.54 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.434 -175.473 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -64.55 -39.57 93.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 0.0 109.661 177.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 17.1 mttt -73.62 -43.47 59.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.793 -175.205 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 38.4 mt-10 -58.68 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -178.09 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -70.22 -34.86 73.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.852 -178.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -68.3 -33.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.139 177.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 409' ' ' LEU . 11.9 tp -67.38 -40.22 85.68 Favored 'General case' 0 N--CA 1.432 -1.36 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.217 -178.148 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.699 ' HH2' ' HB2' ' A' ' 67' ' ' LEU . 7.3 m95 -69.46 -44.17 71.75 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.808 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.426 ' O ' HG13 ' B' ' 435' ' ' ILE . 15.4 mm-40 -59.65 -52.69 64.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.676 ' HA ' HD12 ' B' ' 435' ' ' ILE . 14.7 p -60.76 -35.04 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.935 0.397 . . . . 0.0 110.264 179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.2 tp60 -57.86 -48.62 79.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.548 0.69 . . . . 0.0 110.258 174.512 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' B' ' 437' ' ' THR . 29.6 mtt180 -70.58 -27.15 63.89 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' B' ' 432' ' ' VAL . 51.1 mt -71.83 -40.1 68.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.542 ' O ' ' HG3' ' B' ' 440' ' ' LYS . 3.3 tm? -57.34 -46.01 83.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.395 172.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.616 HG22 ' HA ' ' B' ' 434' ' ' ARG . 5.1 t -74.27 -29.53 61.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.919 0.39 . . . . 0.0 110.666 -177.013 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.36 -35.69 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 173.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.911 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.2 OUTLIER -65.74 -36.77 84.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.575 176.568 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' B' ' 436' ' ' LEU . 46.6 mtpt -59.53 -36.5 76.25 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.443 0.64 . . . . 0.0 109.551 175.626 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -67.66 -45.27 75.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.011 176.885 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.911 ' HD3' HD13 ' B' ' 439' ' ' LEU . 50.4 mtpt -57.85 -37.93 74.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.616 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.9 tm? -63.77 -44.96 91.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.25 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -81.61 -1.83 47.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.0 0.429 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -95.41 -21.5 18.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.53 178.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.506 -0.759 . . . . 0.0 111.241 -176.431 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.711 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . 0.418 ' O ' ' HA3' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.518 ' HG2' ' H ' ' A' ' 10' ' ' SER . 9.9 tt0 -94.19 -161.39 0.85 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.518 ' H ' ' HG2' ' A' ' 9' ' ' GLN . 61.3 m -77.97 37.57 0.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.831 0.348 . . . . 0.0 111.24 177.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 9' ' ' GLN . 40.4 m 64.1 9.2 4.52 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.604 0.761 . . . . 0.0 112.038 178.327 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt 53.18 24.32 3.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 -177.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.61 1.71 32.65 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.202 0.525 . . . . 0.0 112.359 -169.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.7 tp -128.27 123.1 33.27 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.462 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -119.95 134.65 55.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.292 -177.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.672 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 51.3 mmtt -111.32 110.17 20.51 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.506 177.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 64' ' ' ILE . 7.6 p -123.94 129.25 74.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.396 0.617 . . . . 0.0 111.118 -179.136 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.1 mt -110.22 116.0 51.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.735 176.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.63 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 10.6 ttt -90.16 118.16 29.48 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -178.167 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.4 m -118.57 171.8 6.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.22 0.534 . . . . 0.0 111.88 -173.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.69 -169.97 43.08 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 -178.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.5 p -63.58 -65.33 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.111 0.455 . . . . 0.0 110.872 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.82 -71.71 0.23 Allowed Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 174.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.25 43.37 0.6 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.445 177.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 ' CG1' HD21 ' A' ' 128' ' ' ASN . 24.5 t -44.38 -63.87 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 O-C-N 124.521 0.777 . . . . 0.0 112.294 -176.095 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.4 10.12 1.11 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.678 177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.63 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 13.6 pttp -83.49 27.5 0.6 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.182 0.515 . . . . 0.0 111.039 -174.576 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -153.6 -38.19 0.1 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.248 0.547 . . . . 0.0 110.059 -172.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.4 -52.26 14.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.489 177.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.04 -31.37 72.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.547 -174.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 66' ' ' ILE . 17.9 p -68.86 -36.23 77.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.336 -178.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD22 HG22 ' A' ' 40' ' ' VAL . 10.1 tt -64.43 -41.46 96.57 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 176.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -63.47 -35.53 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.73 -179.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -71.33 -12.13 61.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.915 0.388 . . . . 0.0 110.91 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.606 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.6 mtm -106.51 -50.07 3.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.732 0.301 . . . . 0.0 111.61 -179.725 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.43 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 43.4 m-85 -93.22 -11.91 31.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.678 -174.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 24.6 t70 75.19 -28.35 0.19 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.392 0.677 . . . . 0.0 111.728 -178.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -96.87 170.43 9.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.996 0.427 . . . . 0.0 111.166 -176.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -87.14 147.45 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.346 -173.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 t -70.67 120.64 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.384 -177.053 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -108.44 -45.23 3.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.225 0.535 . . . . 0.0 109.903 173.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -146.14 112.3 5.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -173.19 91.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -178.431 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.5 mp0 -87.02 -54.52 0.38 Allowed Pre-proline 0 CA--C 1.538 0.482 0 CA-C-O 119.202 -0.428 . . . . 0.0 111.873 -178.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 10.2 Cg_endo -49.56 102.92 0.05 OUTLIER 'Trans proline' 0 C--N 1.364 1.364 0 C-N-CA 123.421 2.748 . . . . 0.0 113.672 -173.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.569 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 0.6 OUTLIER -165.15 52.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.343 176.117 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -86.89 -57.46 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.094 0.473 . . . . 0.0 110.675 -177.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.76 11.88 6.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.639 175.476 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -72.27 121.17 18.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.5 -170.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.2 p -96.7 139.81 32.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 176.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 1.1 p90 -129.91 121.9 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.463 0.649 . . . . 0.0 111.273 -179.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -98.23 117.63 33.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.215 -177.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.606 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 57.1 tptt -111.63 128.61 56.11 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.383 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -90.24 125.69 35.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.5 m -136.68 145.13 30.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 175.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.4 p -106.48 102.5 14.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-O 121.736 0.779 . . . . 0.0 110.385 177.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -91.05 107.9 19.51 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.258 175.706 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 23.5 t70 78.42 -48.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.826 174.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.21 -55.08 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 119.002 -1.571 . . . . 0.0 114.981 -172.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.0 pt-20 -98.24 145.22 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.706 0.753 . . . . 0.0 111.824 -171.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -73.2 107.82 5.74 Favored 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 60' ' ' GLU . 4.8 t -107.94 148.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.648 -175.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -113.47 119.39 37.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.416 0.626 . . . . 0.0 111.068 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD11 HG11 ' A' ' 17' ' ' VAL . 9.7 tt -106.4 119.73 56.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.476 176.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -105.8 114.63 28.9 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mp -108.04 129.37 62.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.51 . . . . 0.0 110.716 -174.017 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.1 tp -106.57 119.6 39.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.312 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 52.4 t0 -91.07 105.83 18.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.692 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 p -85.17 133.15 34.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -172.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.79 110.9 18.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.031 172.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.4 90.01 1.07 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.13 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -142.0 158.23 44.02 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -179.885 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.07 72.66 3.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.976 0.417 . . . . 0.0 109.944 177.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.49 -80.94 0.03 OUTLIER 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.484 -178.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -77.34 73.05 3.91 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.25 -27.92 66.24 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 176.41 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.8 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -61.74 -28.72 69.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.568 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.885 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 76.7 mt -81.25 -40.63 18.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.644 0.259 . . . . 0.0 111.579 -175.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -90.84 -53.0 4.58 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.7 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.55 -55.28 6.1 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.066 0.46 . . . . 0.0 111.674 -175.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.8 HD22 ' HA ' ' A' ' 77' ' ' ALA . 53.8 m-80 -72.29 -31.11 65.44 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -171.03 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.885 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 10.2 m-85 -73.74 -28.43 61.69 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.007 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.0 m-30 -61.68 -23.89 66.4 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.556 0.217 . . . . 0.0 111.565 -177.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -55.75 -53.16 60.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.674 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 49.7 m -93.33 24.77 3.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 111.762 -177.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.11 141.85 15.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.84 -0.695 . . . . 0.0 111.659 175.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' A' ' 16' ' ' LYS . 41.6 mt-10 -96.42 -67.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.908 0.385 . . . . 0.0 110.181 -179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.583 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -103.77 148.34 16.95 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.242 -177.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 96.7 m-85 -129.35 131.64 46.91 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.914 0.388 . . . . 0.0 110.747 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 74.9 mt -104.28 124.19 48.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.638 -179.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.05 108.22 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.141 -178.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.873 HG12 ' HB ' ' A' ' 126' ' ' VAL . 29.8 m -117.24 135.58 57.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.268 0.556 . . . . 0.0 111.53 179.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -150.66 152.11 33.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.322 177.206 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.5 t -89.16 147.25 24.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.897 0.38 . . . . 0.0 109.993 178.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.739 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.62 1.35 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.156 -179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.539 ' CG2' HD22 ' A' ' 132' ' ' LEU . 11.4 p -93.11 -14.14 27.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.373 0.606 . . . . 0.0 109.703 171.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.78 101.41 12.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.643 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -78.23 -27.09 47.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -71.39 -52.49 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.463 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -60.64 -31.23 70.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.038 178.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -60.25 -42.87 96.23 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.937 0.399 . . . . 0.0 110.604 174.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.5 m -76.0 -31.82 59.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.302 0.572 . . . . 0.0 110.363 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -13.84 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.113 -177.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.401 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -52.92 -45.49 67.64 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.955 0.407 . . . . 0.0 111.445 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.99 -34.64 76.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.46 178.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.43 -40.02 89.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.403 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -58.98 -47.17 86.11 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.34 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -57.63 -50.74 72.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.366 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.75 -40.94 85.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.341 179.097 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.558 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.6 mt -64.88 -45.48 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.473 176.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 7.5 mp -68.11 -20.53 64.93 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.824 ' HA ' ' HE ' ' A' ' 113' ' ' ARG . 1.0 OUTLIER -59.09 -40.88 86.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.886 0.374 . . . . 0.0 110.932 175.581 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.489 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -101.56 -21.9 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.328 -177.115 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.489 ' HG2' HG23 ' A' ' 114' ' ' VAL . 21.9 mmmt -101.57 -91.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.968 -178.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 61.9 -79.71 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.511 0.724 . . . . 0.0 112.939 179.326 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -82.16 54.91 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.344 0.592 . . . . 0.0 111.227 -173.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 20.3 mm-40 -105.33 -164.74 1.06 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.415 179.099 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -69.42 -72.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 171.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.652 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 71.2 mmtt -154.43 145.42 22.66 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 174.071 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 67.8 mt -102.26 99.04 11.63 Favored Pre-proline 0 C--N 1.32 -0.7 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.583 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 57.2 Cg_endo -75.85 119.42 5.4 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.538 2.158 . . . . 0.0 111.878 178.658 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 97.3 mt -116.78 156.06 27.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.446 -178.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.4 tt -150.48 123.65 8.86 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.7 t -93.97 122.59 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -177.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.873 ' HB ' HG12 ' A' ' 92' ' ' VAL . 39.6 t -116.57 123.34 71.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.822 -176.239 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -93.3 102.44 2.91 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.511 HD22 ' C ' ' A' ' 128' ' ' ASN . 0.2 OUTLIER -100.14 174.57 6.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.929 -0.16 . . . . 0.0 110.905 -176.326 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' A' ' 25' ' ' VAL . 3.1 mptm? 66.56 26.6 9.83 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 123.602 0.564 . . . . 0.0 111.789 179.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -66.58 -0.37 2.79 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.061 0.458 . . . . 0.0 111.361 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.66 -33.69 75.56 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.867 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.539 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.9 OUTLIER -64.01 -39.68 94.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.366 178.344 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.03 -78.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.778 175.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -76.82 -16.2 59.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 -172.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 77.5 mtp180 -84.58 8.35 16.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.0 0.429 . . . . 0.0 110.523 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.512 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 36.4 ttp180 -62.64 114.06 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.379 -179.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.0 -32.65 15.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.537 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 p -107.06 124.94 33.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 -178.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.93 122.12 11.17 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.581 2.188 . . . . 0.0 111.723 178.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -67.02 -22.26 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.23 -178.357 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.04 -47.28 86.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.652 -179.58 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -77.6 -23.46 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 110.484 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.32 88.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.26 175.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.0 mtp180 -63.38 -37.19 86.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.301 177.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.3 t -68.86 -24.5 64.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.102 -178.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 26.9 mmtp -76.88 -34.49 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.046 -0.409 . . . . 0.0 110.59 175.345 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.61 95.17 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -59.63 -41.76 91.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.964 174.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -60.16 -43.8 95.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.168 -179.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -89.26 -4.89 58.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.322 -175.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.27 35.13 34.67 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.53 177.366 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.33 -179.94 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.932 0.396 . . . . 0.0 111.094 -179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -101.79 161.76 13.41 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -130.85 117.88 19.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.599 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.85 136.29 57.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.035 -175.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -91.62 127.16 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.144 178.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.3 p -136.54 159.75 40.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.235 0.54 . . . . 0.0 111.68 -178.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.8 m -146.69 126.01 13.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.254 172.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.72 -26.03 54.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.772 -177.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.425 ' HB2' ' N2 ' ' A' ' 500' ' ' GNP . 54.9 tptt -64.09 -30.67 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.377 -175.691 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.2 p -116.06 -14.61 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.583 -178.032 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 62.11 79.13 0.26 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.866 -179.232 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -129.37 116.03 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -178.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 56.87 27.42 12.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.469 179.081 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.483 ' O ' HG22 ' A' ' 168' ' ' VAL . 92.8 t -68.17 -43.55 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.151 178.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -61.86 -34.21 75.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.12 -179.002 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -59.88 -44.66 94.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.219 -171.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.7 m -61.73 -27.14 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.606 0.241 . . . . 0.0 111.408 -175.081 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.11 -44.35 47.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.515 176.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -67.22 -46.37 74.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.251 -178.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -55.83 -51.38 67.68 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.2 0.524 . . . . 0.0 110.606 178.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.7 tm? -60.91 -42.46 98.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.821 179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 60.3 mtm -64.47 -30.93 71.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.172 -0.33 . . . . 0.0 111.815 -179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -68.45 -44.08 75.67 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.457 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 16.3 mm-40 -54.8 -45.88 74.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.753 0.311 . . . . 0.0 110.859 172.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 172' ' ' LEU . 66.2 mt -58.01 -36.92 58.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.204 179.555 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -56.57 -51.89 66.9 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.041 0.448 . . . . 0.0 110.54 176.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.4 m -70.11 -38.58 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.057 -177.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.652 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -62.76 -38.37 90.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.343 178.473 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 30.2 mtpp -74.32 -29.56 61.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.577 0.227 . . . . 0.0 111.547 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.1 mtm -84.32 -24.91 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.715 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 32.4 t 65.81 -173.36 0.18 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.786 0.678 . . . . 0.0 110.04 -178.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 185' ' ' LYS . 44.4 tt0 -84.87 -68.38 0.73 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 53.75 31.35 12.75 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.787 0.68 . . . . 0.0 111.718 175.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 183' ' ' GLU . 99.3 mttt . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.6 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.004 -0.439 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 7.1 p -111.33 19.31 18.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.745 0.307 . . . . 0.0 111.334 -177.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.59 -60.27 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.375 -177.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 5.3 m -74.08 -25.79 60.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.456 0.646 . . . . 0.0 110.188 179.637 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -64.89 -26.33 68.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.246 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.41 15.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.915 0.388 . . . . 0.0 111.821 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.43 -38.16 94.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.267 179.317 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.583 ' O ' HG13 ' B' ' 402' ' ' ILE . 19.3 mm -60.96 -53.24 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.732 0.301 . . . . 0.0 110.531 178.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -58.43 -45.98 87.39 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.029 -175.012 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -64.45 -38.55 91.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.669 0.271 . . . . 0.0 111.165 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.59 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 13.2 tp10 -71.96 -31.98 66.83 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.065 177.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.583 HG13 ' O ' ' B' ' 398' ' ' ILE . 76.4 mt -61.27 -48.61 88.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -56.05 -37.37 69.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.181 0.515 . . . . 0.0 110.626 176.591 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.59 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 44.4 ttt180 -67.47 -46.62 72.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.849 179.038 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -69.21 -37.83 78.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.743 0.306 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' B' ' 436' ' ' LEU . 57.0 mt-10 -61.91 -35.08 77.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.455 177.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -68.87 -46.32 68.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.804 0.335 . . . . 0.0 110.574 175.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.548 ' HB2' HG21 ' B' ' 432' ' ' VAL . 78.5 mt -62.6 -48.91 77.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.069 0.461 . . . . 0.0 110.723 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.575 HD23 HG13 ' B' ' 432' ' ' VAL . 3.1 tm? -66.19 -31.99 73.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.038 179.468 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -65.4 -42.14 92.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 175.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 31.4 t -59.59 -54.58 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.153 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.1 mm? -56.57 -30.62 63.36 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 121.156 0.503 . . . . 0.0 111.22 178.438 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -69.5 -44.8 70.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.389 176.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 97.1 mtt180 -76.92 -50.37 13.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -176.512 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -60.99 -48.28 82.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 111.781 -175.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' B' ' 425' ' ' LYS . 7.8 mp -66.99 -25.32 66.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.317 -175.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' B' ' 414' ' ' ARG . 7.1 mt-30 -54.22 -29.33 46.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.726 0.298 . . . . 0.0 111.427 177.503 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.3 -6.39 75.03 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.522 -176.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.18 13.45 58.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.379 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 53.3 mt -84.16 116.74 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.498 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.0 pttp -117.87 146.74 43.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.017 0.913 . . . . 0.0 112.702 -175.198 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.464 ' O ' ' HE3' ' B' ' 425' ' ' LYS . 17.3 t70 -150.88 169.27 22.12 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 171.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -72.07 -32.45 67.06 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.21 173.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 33.1 t -64.66 -40.59 95.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.539 -178.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.698 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.67 -39.14 91.02 Favored 'General case' 0 C--N 1.334 -0.109 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.626 -170.748 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.698 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 5.8 pt-20 -73.87 -41.79 61.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.429 -179.517 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 46.3 mt-10 -63.44 -45.13 92.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.509 ' O ' HG12 ' B' ' 432' ' ' VAL . 27.3 mmt180 -64.26 -35.4 80.71 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.052 177.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' B' ' 429' ' ' LEU . 0.7 OUTLIER -56.34 -56.07 25.65 Favored 'General case' 0 CA--C 1.52 -0.197 0 O-C-N 123.238 0.336 . . . . 0.0 110.754 -178.276 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.674 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 38.8 m95 -68.82 -30.85 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 178.78 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.634 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 30.9 tt0 -64.13 -57.32 9.92 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.366 -177.206 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.1 p -64.85 -34.12 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.313 0.577 . . . . 0.0 109.79 -179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -56.79 -53.34 58.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.342 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.634 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 1.6 ptm180 -66.93 -28.48 68.33 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.371 -177.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.2 mt -70.53 -52.05 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.917 175.787 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' B' ' 406' ' ' GLU . 21.7 tp -56.56 -42.35 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -179.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 10.4 t -71.1 -40.13 71.67 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.824 -176.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.375 0.607 . . . . 0.0 110.141 176.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.503 ' HG ' HG12 ' B' ' 402' ' ' ILE . 44.7 tp -67.9 -42.81 80.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.257 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.99 -30.93 71.98 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.401 0.619 . . . . 0.0 109.679 174.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.46 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 1.1 tmt_? -67.43 -45.08 77.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.375 175.647 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -61.24 -28.91 69.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 177.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.03 -45.05 94.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.268 174.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -76.72 -12.94 60.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.495 178.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 7.2 tp10 -86.72 -9.98 54.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.819 178.3 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.316 178.185 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.793 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -73.75 0.13 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.21 0.529 . . . . 0.0 110.838 -176.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.8 m -122.29 -160.46 0.88 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.282 -178.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 t -91.69 94.11 9.22 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 177' ' ' ARG . 1.7 pt? -137.67 15.91 2.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.892 -177.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -91.14 13.61 16.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.397 0.618 . . . . 0.0 111.078 -178.841 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -139.34 118.8 12.92 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.062 176.117 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' HA ' ' OE1' ' A' ' 87' ' ' GLU . 26.3 m-70 -116.75 136.46 52.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.51 -177.597 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtt -113.52 106.83 15.02 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.417 177.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.6 t -109.19 110.49 32.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.849 -178.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -100.5 120.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.504 -179.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 81.8 mmm -89.75 108.61 19.79 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.408 179.665 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.6 m -94.88 153.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.928 0.394 . . . . 0.0 111.088 -176.282 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 179.83 -179.89 48.81 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.6 m -145.99 16.93 1.4 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.538 0.685 . . . . 0.0 109.797 -175.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -177.29 -169.82 38.91 Favored Glycine 0 N--CA 1.436 -1.318 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.793 -177.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.22 67.94 0.71 Allowed Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 119.79 -1.195 . . . . 0.0 112.622 -178.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 94' ' ' SER . 68.0 t -66.73 -41.19 87.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 174.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 133.96 28.65 0.49 Allowed Glycine 0 N--CA 1.452 -0.254 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -176.635 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -74.0 -18.66 60.83 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -174.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.3 m -88.11 -15.11 37.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.417 . . . . 0.0 111.028 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.46 -48.08 43.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.09 0.472 . . . . 0.0 110.69 178.024 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.46 -37.38 80.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.705 -175.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 p -66.86 -39.75 87.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.255 -177.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.9 tp -74.15 -41.16 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 0.0 110.525 179.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -69.36 -27.1 65.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.519 -178.644 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 71.9 t80 -61.02 -36.38 79.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 176.436 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 ttm -94.28 -53.76 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.917 -176.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -100.68 -21.06 15.35 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -172.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.4 t70 66.48 16.81 10.52 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.982 0.896 . . . . 0.0 110.437 -175.112 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.03 147.16 25.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.734 177.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -78.79 148.07 33.06 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.94 105.07 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.937 0.399 . . . . 0.0 111.183 -178.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -104.44 -35.24 7.98 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 175.431 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -144.4 99.46 3.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.609 176.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -158.88 93.36 1.16 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.066 176.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.591 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 34.2 tt0 -82.59 -61.4 0.34 Allowed Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.925 -174.185 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 50.6 Cg_exo -51.53 -90.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.926 2.417 . . . . 0.0 115.538 -162.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.478 ' H ' ' HB2' ' A' ' 45' ' ' PRO . 17.7 p 47.53 25.87 0.71 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 122.883 0.473 . . . . 0.0 111.688 -168.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -87.08 -59.32 2.29 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.804 -0.814 . . . . 0.0 108.804 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.77 25.76 6.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.499 169.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' A' ' 45' ' ' PRO . 6.4 t70 -91.13 111.26 22.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.595 -172.266 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -122.83 155.81 35.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.213 177.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.2 105.29 3.62 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -80.02 123.29 27.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.446 -168.372 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 52.2 tptt -101.19 127.56 47.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.303 178.252 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.12 129.05 34.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 62' ' ' VAL . 3.4 m -133.48 149.08 30.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.46 -179.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 60' ' ' GLU . 14.1 p -153.02 132.07 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.01 0.433 . . . . 0.0 110.878 175.646 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -128.37 98.81 5.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.918 175.679 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 58.32 29.28 17.89 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.704 0.628 . . . . 0.0 112.215 176.2 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -159.27 -133.48 1.52 Allowed Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 119.5 -1.333 . . . . 0.0 114.369 -177.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 56' ' ' VAL . 10.5 pt-20 -92.28 152.78 19.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.688 -174.456 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.3 109.16 2.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.327 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.789 HG23 HG23 ' A' ' 55' ' ' VAL . 11.5 m -106.76 179.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 CA-C-O 121.348 0.594 . . . . 0.0 109.728 177.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -139.9 134.66 31.93 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.797 -171.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.492 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 10.4 tt -108.6 112.11 38.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.597 0.713 . . . . 0.0 109.744 172.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -103.08 126.94 50.48 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.549 -177.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.44 137.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -167.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 tp -126.77 111.75 14.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.548 171.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -98.24 99.37 10.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 178.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.2 m -58.42 136.35 57.44 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.772 -177.579 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.04 145.08 43.3 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.523 179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.29 46.17 3.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.369 -178.875 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.541 ' O ' ' HD2' ' A' ' 79' ' ' ARG . 0.9 OUTLIER -154.57 160.76 41.69 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 179.374 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -84.82 -23.01 29.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.018 -177.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.0 m-20 -47.91 -64.67 0.73 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.657 -177.708 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -78.27 72.3 4.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.167 -175.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.5 -14.1 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.699 176.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.783 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.03 -31.27 72.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.283 174.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.684 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 19.5 mt -91.36 -22.0 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.92 -179.037 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' A' ' 72' ' ' LEU . 40.1 mtp85 -92.64 -66.44 0.92 Allowed 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.509 -179.219 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -77.2 -52.45 9.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.698 -174.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.783 HD22 ' HA ' ' A' ' 77' ' ' ALA . 51.8 m-80 -72.15 -24.63 61.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.531 -170.422 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.684 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -88.29 -26.99 22.0 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -172.603 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.423 ' HB2' HG21 ' A' ' 114' ' ' VAL . 13.6 m-30 -65.8 -14.59 61.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 120.866 0.365 . . . . 0.0 111.857 -175.629 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 22.0 mmm180 -54.65 -64.9 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -176.239 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.594 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.1 m -91.96 27.09 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -171.164 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.35 175.18 34.42 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.978 176.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.559 ' OE1' ' HA ' ' A' ' 15' ' ' HIS . 50.1 mt-10 -111.88 -75.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.19 0.495 . . . . 0.0 110.499 177.502 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -108.9 155.09 16.25 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.4 -174.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -126.75 128.01 45.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -177.04 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 124' ' ' LEU . 66.6 mt -96.99 113.31 24.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.712 175.126 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 125' ' ' VAL . 50.2 mt -81.26 106.86 13.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.7 t -109.29 108.59 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 111.082 -176.107 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -125.86 163.42 22.97 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.146 178.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.605 ' HB2' HG13 ' A' ' 25' ' ' VAL . 41.7 t -93.46 128.63 39.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.372 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.63 10.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.433 0.635 . . . . 0.0 110.747 -177.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 1.039 HG21 HD22 ' A' ' 132' ' ' LEU . 63.0 p -113.54 -13.49 12.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.259 174.314 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -112.33 102.47 10.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.625 -178.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -72.36 -16.92 61.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.614 0.245 . . . . 0.0 111.147 -174.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -66.43 -54.69 21.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.691 0.281 . . . . 0.0 110.688 179.496 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 p -67.39 -27.17 66.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.902 0.382 . . . . 0.0 110.693 179.001 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 77.1 t80 -62.52 -38.88 91.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.361 173.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.4 m -69.43 -28.19 65.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.268 0.556 . . . . 0.0 110.175 179.146 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.98 -15.26 62.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.901 -177.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.596 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 47.5 p -56.85 -38.49 72.75 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.706 0.288 . . . . 0.0 111.425 -178.464 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.82 -41.8 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.476 178.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.54 -35.26 73.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.661 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -57.39 -51.36 69.71 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.204 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.98 -52.2 66.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.285 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.581 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 30.8 mt-10 -57.25 -45.28 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.742 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -57.87 -39.5 77.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.0 110.326 -176.545 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.7 mt -61.44 -45.48 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.049 178.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 8.0 mp -71.54 -20.01 62.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.219 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 94.6 mtt180 -79.24 -42.45 25.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.628 0.252 . . . . 0.0 111.1 178.148 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.9 m -80.03 -28.87 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.508 -179.586 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 55.4 mttm -98.09 -82.82 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.293 -179.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.62 -71.0 0.1 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.612 -179.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -87.16 61.46 6.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 111.22 -175.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.695 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 21.5 mm-40 -105.67 -168.22 1.42 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.415 179.143 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -88.9 -62.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 172.229 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -150.41 139.47 21.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.837 177.191 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mt -115.03 99.16 51.91 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.415 -177.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.61 ' HG2' HG12 ' A' ' 176' ' ' ILE . 6.5 Cg_endo -88.47 125.26 1.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.453 2.768 . . . . 0.0 112.743 -179.462 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.14 161.22 20.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.51 ' HG ' ' HG2' ' A' ' 153' ' ' GLN . 4.1 tt -148.59 129.81 14.61 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 174.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 HD12 ' A' ' 91' ' ' LEU . 20.2 t -91.26 113.53 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.03 0.443 . . . . 0.0 110.282 -178.263 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.24 112.32 39.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.661 -177.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.3 134.93 13.49 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.919 -1.134 . . . . 0.0 110.983 175.291 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 13.0 t-20 -124.53 173.45 8.46 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.262 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 31.7 mmtm 68.89 23.94 6.6 Favored 'General case' 0 CA--C 1.521 -0.144 0 O-C-N 123.662 0.601 . . . . 0.0 110.73 -173.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.9 m -67.53 -2.49 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.364 176.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.84 -28.7 69.17 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.318 179.816 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 1.039 HD22 HG21 ' A' ' 96' ' ' THR . 8.5 mp -64.26 -45.05 89.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.406 175.2 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 65.27 -77.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.023 177.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.74 -23.27 58.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.929 0.395 . . . . 0.0 111.082 -175.023 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.757 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 41.8 mtt180 -85.12 17.76 2.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.291 179.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -61.16 114.49 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.618 ' H ' ' HA ' ' A' ' 96' ' ' THR . 46.7 mt-30 -104.8 -13.45 15.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.701 -179.623 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.25 109.6 45.82 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 169.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.02 118.24 5.08 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.124 1.883 . . . . 0.0 111.329 177.538 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.77 -27.35 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.063 -179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 21.3 mp0 -56.91 -48.96 76.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.766 178.624 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.14 -29.71 34.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -61.52 -49.11 78.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.168 0.509 . . . . 0.0 110.54 176.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -65.97 -39.97 90.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.055 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.8 t -54.67 -43.98 72.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.167 -177.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -60.47 -50.54 73.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.498 0.19 . . . . 0.0 111.506 176.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.403 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -58.12 -43.7 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -63.86 -39.66 94.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.42 -34.94 75.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 -178.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -80.97 -13.26 59.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.932 -178.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.63 31.2 24.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.404 179.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.6 m -124.07 -177.57 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.44 0 CA-C-O 121.138 0.494 . . . . 0.0 111.077 179.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.51 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -103.15 144.82 30.81 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.091 177.686 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.403 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 87.0 t80 -115.17 113.75 24.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.683 173.433 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.437 HG13 HG12 ' A' ' 168' ' ' VAL . 2.2 p -139.52 128.98 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.402 177.43 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -89.07 160.83 16.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.584 -174.38 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.6 p -132.82 129.99 39.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.017 -177.318 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.8 p -108.09 119.97 41.0 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 172.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.533 ' HB3' ' N2 ' ' A' ' 500' ' ' GNP . . . -94.06 -11.65 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.511 -172.427 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -74.94 -29.26 60.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.364 0.602 . . . . 0.0 110.121 178.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -116.59 -12.11 10.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 mpp_? 63.79 80.88 0.22 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.136 -175.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.32 131.07 43.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.249 175.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 66.82 13.42 9.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.694 0.797 . . . . 0.0 111.831 -177.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 87.2 t -65.87 -61.65 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.573 0.225 . . . . 0.0 110.956 -176.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.52 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 5.5 p-10 -71.43 -24.17 61.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.126 0.489 . . . . 0.0 110.555 178.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -58.58 -47.53 83.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.544 -177.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.437 HG12 HG13 ' A' ' 155' ' ' VAL . 35.2 m -69.17 -30.29 45.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.522 -176.535 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -70.98 -47.69 57.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.865 179.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.99 -39.83 90.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.291 -179.783 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.23 -50.71 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.991 0.424 . . . . 0.0 110.437 179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 176' ' ' ILE . 1.9 tm? -59.12 -46.43 88.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.725 178.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 66.9 mtm -63.53 -31.25 72.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.617 0.246 . . . . 0.0 111.373 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.507 ' NH1' ' HE ' ' A' ' 177' ' ' ARG . 3.1 mmm180 -65.56 -43.76 88.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -179.488 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.491 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 5.5 mt-10 -62.96 -41.45 99.52 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.602 175.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.61 HG12 ' HG2' ' A' ' 122' ' ' PRO . 64.1 mt -60.26 -39.52 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -178.638 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.507 ' HE ' ' NH1' ' A' ' 174' ' ' ARG . 7.2 ptt180 -66.59 -31.73 72.62 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.155 -179.095 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.7 m -69.92 -33.72 72.53 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.133 178.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.5 mptt -66.54 -48.44 69.7 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.485 176.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -65.36 -26.0 67.82 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 179.604 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.8 mtm -86.14 -20.02 29.26 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.344 174.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.9 m 62.4 34.95 15.23 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.599 177.141 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.16 109.57 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.506 179.053 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -95.07 -6.18 42.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.664 -179.183 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.208 -0.357 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 10.9 p -85.04 53.89 2.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.852 0.358 . . . . 0.0 111.611 -177.468 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -55.79 -61.28 2.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.328 -178.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.544 ' O ' HG12 ' B' ' 398' ' ' ILE . 15.7 m -81.83 -34.58 30.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.265 -178.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.467 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 46.7 mt-30 -57.83 -34.91 70.18 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 -177.899 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.14 -55.64 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.197 179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.31 -35.6 91.71 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.02 -179.775 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 394' ' ' THR . 47.9 mm -63.12 -51.27 73.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.802 0.334 . . . . 0.0 110.787 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' B' ' 402' ' ' ILE . 9.6 mtpm? -61.89 -39.36 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.475 -177.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -65.03 -41.54 95.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.388 176.194 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' B' ' 439' ' ' LEU . 2.7 tp10 -64.21 -40.94 97.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.369 -179.856 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.713 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.6 mt -53.56 -53.12 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.472 174.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.515 ' HD3' ' OE2' ' B' ' 406' ' ' GLU . 26.6 mmt180 -62.99 -35.46 80.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 -178.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.477 ' HD3' ' OE1' ' B' ' 401' ' ' GLU . 68.2 ttt180 -59.38 -46.54 88.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.635 176.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.682 HE21 HG23 ' B' ' 432' ' ' VAL . 14.7 mm100 -72.21 -34.14 68.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.411 -179.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.515 ' OE2' ' HD3' ' B' ' 403' ' ' ARG . 38.0 mt-10 -60.12 -45.18 93.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.371 175.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.63 -47.38 84.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.611 177.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 49.3 mt -57.34 -52.16 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.759 -179.116 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.696 HD23 HG13 ' B' ' 432' ' ' VAL . 0.5 OUTLIER -62.17 -42.39 99.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.622 179.165 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.531 ' HA ' ' CD2' ' B' ' 413' ' ' HIS . 52.7 t30 -59.21 -56.49 21.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.458 -179.097 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 50.0 m -61.12 -43.19 99.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.735 -177.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.723 ' HB3' HD11 ' B' ' 429' ' ' LEU . 13.0 mt -59.1 -51.99 67.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.052 177.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 0.9 OUTLIER -66.93 -31.04 71.35 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 120.416 -0.514 . . . . 0.0 111.708 -177.529 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 55.0 mtm180 -64.76 -45.77 84.98 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.61 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.29 -38.55 85.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.965 -177.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 97.2 mt -62.2 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.245 -179.147 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -71.54 -10.22 59.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.884 0.373 . . . . 0.0 110.57 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -88.05 5.8 84.35 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.406 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.3 14.77 58.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.042 178.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.4 mt -102.61 128.05 55.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -151.64 147.76 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.54 0.686 . . . . 0.0 111.8 -179.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.723 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 16.2 t70 -150.21 171.24 17.24 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.805 -178.437 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 8.8 mp -70.53 -31.44 68.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.709 0.766 . . . . 0.0 109.688 173.396 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -63.73 -35.13 79.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.138 -178.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 2.9 pptp? -71.16 -42.06 69.59 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.583 -174.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.62 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 6.8 pt-20 -67.52 -41.16 84.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.865 0.364 . . . . 0.0 110.305 -175.204 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 15.6 mm-40 -70.85 -39.77 72.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.926 179.476 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.591 ' O ' HG12 ' B' ' 432' ' ' VAL . 22.7 tpt180 -67.05 -41.97 85.6 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.052 -177.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.723 HD11 ' HB3' ' B' ' 412' ' ' LEU . 5.9 mp -54.63 -53.24 57.32 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 123.108 0.255 . . . . 0.0 111.262 176.806 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 89.7 m95 -63.15 -30.12 71.33 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.386 179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.632 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 64.3 mt-10 -66.16 -56.56 10.8 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.853 175.401 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.696 HG13 HD23 ' B' ' 409' ' ' LEU . 2.4 p -64.65 -33.57 64.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.983 0.421 . . . . 0.0 110.407 -179.355 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -56.03 -51.93 66.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.418 174.597 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.632 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 3.5 ptm180 -67.09 -26.68 66.83 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.125 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' B' ' 432' ' ' VAL . 32.4 mt -77.78 -40.5 27.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.327 177.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -58.53 -40.74 83.8 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 177.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.8 t -74.92 -33.43 61.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.87 0.367 . . . . 0.0 110.719 -179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.74 -39.29 93.38 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.238 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.713 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.3 OUTLIER -61.01 -38.65 86.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.059 177.436 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -55.45 -49.02 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.255 0.55 . . . . 0.0 110.477 176.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.502 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.4 OUTLIER -61.87 -44.93 95.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.741 179.943 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -60.47 -36.96 79.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.449 -179.796 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.604 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.0 tp -64.06 -40.48 96.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.98 -7.21 59.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.016 0.436 . . . . 0.0 110.816 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.502 ' HB2' HH11 ' B' ' 441' ' ' ARG . 42.5 tt0 -94.44 -26.35 16.53 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.496 178.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.81 -178.408 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.698 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.913 0 N-CA-C 112.064 -0.414 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.66 128.5 33.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.279 0.561 . . . . 0.0 111.024 -178.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 m -151.17 -49.12 0.12 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.077 178.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -141.67 23.63 2.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.171 0.51 . . . . 0.0 110.556 178.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.5 mt -90.91 -13.72 33.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.316 -174.081 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -96.21 7.07 47.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.46 0.648 . . . . 0.0 110.56 179.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 32.4 tp -130.45 127.69 39.75 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.565 179.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -137.22 141.53 42.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.518 -177.292 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.58 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -116.39 131.4 56.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 172.754 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.14 117.96 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.606 0.717 . . . . 0.0 110.178 177.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.408 HD12 ' CE1' ' A' ' 89' ' ' PHE . 59.7 mt -108.99 122.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.897 -177.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.727 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 18.6 mmt -81.16 122.89 27.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.539 174.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 90' ' ' LEU . 26.8 m -96.52 155.99 3.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.815 0.341 . . . . 0.0 111.171 -177.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.52 160.9 26.5 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 19.6 m -134.75 -71.18 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.728 0.264 . . . . 0.0 110.656 178.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.06 -66.38 1.81 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.875 -179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.71 -115.64 2.97 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.082 177.835 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 27' ' ' LYS . 60.0 t 67.54 99.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.35 0.595 . . . . 0.0 111.051 -178.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 28' ' ' SER . . . -57.54 -60.61 8.69 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.805 176.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 19' ' ' MET . 22.2 pttm 58.39 -16.74 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 126.152 1.781 . . . . 0.0 115.197 170.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 26' ' ' GLY . 5.7 m -90.21 -12.68 37.34 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.043 0.449 . . . . 0.0 110.774 -177.816 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.68 -48.97 34.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.533 -178.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.72 -34.28 76.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.682 -172.337 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 35' ' ' MET . 18.4 p -67.94 -39.52 83.44 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.294 -176.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -68.37 -40.91 81.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.772 177.543 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.5 mm100 -61.81 -37.6 85.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.73 179.008 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -67.98 -36.56 80.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.987 -176.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.435 ' HE2' ' HB2' ' A' ' 53' ' ' LYS . 7.7 ptp -78.37 -50.44 11.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -176.572 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 89.7 m-85 -89.46 -86.43 0.19 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.377 -178.395 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 30.5 t70 163.01 -36.09 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 O-C-N 124.086 0.866 . . . . 0.0 109.956 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -95.12 162.74 13.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.909 -171.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.499 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 59.8 t80 -75.75 132.16 40.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.083 -169.102 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HB ' HD12 ' A' ' 32' ' ' LEU . 7.7 p -89.02 131.94 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.194 176.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -123.39 -33.53 3.24 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.826 -177.11 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -119.66 93.09 3.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.105 0.478 . . . . 0.0 110.921 179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -171.29 98.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.28 174.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.9 mm-40 -114.54 -35.35 0.1 OUTLIER Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -176.184 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.477 ' CD ' ' H ' ' A' ' 44' ' ' GLU . 31.7 Cg_exo -59.52 95.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 121.382 1.388 . . . . 0.0 112.592 176.091 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 3.0 p -131.64 27.51 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.388 175.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -75.09 -57.46 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.991 -176.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' B' ' 409' ' ' LEU . . . -126.14 17.19 7.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.453 -177.259 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -105.33 165.97 10.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.473 -175.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 t -153.58 150.99 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.154 0.502 . . . . 0.0 110.245 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -139.79 126.68 20.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.026 -177.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -96.33 156.19 16.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.203 0.525 . . . . 0.0 111.445 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 51.5 tptt -134.66 127.81 31.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.016 177.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.28 122.36 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.909 0.385 . . . . 0.0 110.564 175.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 153.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 172.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.7 p -125.92 115.29 42.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.516 0.674 . . . . 0.0 110.686 177.219 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -87.42 99.06 11.73 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.585 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.0 t70 72.79 -51.21 0.71 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.237 -0.892 . . . . 0.0 113.286 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.03 -64.22 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.758 -1.21 . . . . 0.0 114.764 -170.031 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 56' ' ' VAL . 8.5 pt-20 -97.21 144.7 26.77 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 117.654 0.727 . . . . 0.0 111.724 -172.637 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.17 124.96 25.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.475 -177.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -108.05 143.03 19.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.444 -175.249 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.1 135.44 53.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 0.0 110.438 179.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.1 125.98 65.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.6 -178.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.58 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 8.1 m-20 -90.95 121.05 32.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.313 178.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.7 mt -108.12 125.21 64.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 82' ' ' TYR . 33.4 tp -131.02 139.39 49.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.119 0.485 . . . . 0.0 110.972 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.448 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 29.5 t70 -111.29 153.33 26.08 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 54.5 p -130.17 153.66 48.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 -170.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 134.58 50.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.913 -1.039 . . . . 0.0 108.861 170.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -128.44 25.37 4.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.277 -0.963 . . . . 0.0 112.552 -175.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -74.06 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.03 0.443 . . . . 0.0 111.907 -178.557 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.86 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 -177.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.37 -68.74 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.016 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' CD1' ' A' ' 78' ' ' ILE . 75.8 m-85 -83.09 54.02 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.831 -174.299 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -22.07 66.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.234 0.54 . . . . 0.0 110.022 174.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -64.44 -13.71 53.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.866 178.701 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 75' ' ' TYR . 50.2 mt -93.3 -30.24 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.072 0.463 . . . . 0.0 110.334 178.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -88.24 -60.65 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.858 -178.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.19 -56.68 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.761 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 90.9 m-20 -59.24 -35.41 73.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -174.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.419 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.2 m-85 -77.32 -22.89 51.23 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.024 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.642 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 13.5 m-30 -64.52 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.257 -177.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.37 -37.09 74.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -171.285 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.458 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -112.1 44.0 1.49 Allowed 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.376 -173.77 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.18 138.56 10.09 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.018 175.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.516 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.0 mp0 -79.59 -65.56 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 110.236 178.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.13 146.23 18.09 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.929 -173.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' HB2' HD23 ' A' ' 123' ' ' LEU . 91.1 m-85 -132.2 131.63 42.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 -178.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' O ' HG22 ' A' ' 20' ' ' VAL . 56.1 mt -103.47 115.44 30.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -87.84 105.67 17.57 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 172.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.447 ' CG1' ' HB2' ' A' ' 128' ' ' ASN . 60.8 t -117.07 113.13 41.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.129 -176.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 36.5 p90 -126.25 148.83 49.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.449 -177.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 1.017 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 47.4 t -84.87 143.59 28.94 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 174.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.633 HG21 HH21 ' A' ' 136' ' ' ARG . 0.2 OUTLIER -74.07 7.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.957 0.408 . . . . 0.0 111.301 -177.49 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 135' ' ' ARG . 21.0 p -117.56 -6.04 11.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.232 175.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 1.017 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 20.5 mm-40 -106.47 101.81 11.24 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -177.706 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -69.49 -25.48 64.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -56.55 -54.3 47.51 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.057 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 3.8 m -66.3 -34.54 78.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.789 -177.114 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -66.19 -42.59 88.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.968 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.256 0.55 . . . . 0.0 110.62 -179.163 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.93 -15.76 62.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.177 -176.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -55.55 -45.43 77.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.77 0.319 . . . . 0.0 111.509 -178.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.33 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.593 178.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -67.76 -39.11 84.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.609 179.516 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -56.3 -46.65 79.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.54 0.209 . . . . 0.0 110.464 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.33 -56.98 14.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.38 179.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 32.0 mt-10 -63.94 -42.17 97.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.027 -176.602 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -63.35 -37.08 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 110.281 -178.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 85.6 mt -63.48 -46.33 95.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.192 174.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -67.29 -7.9 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 178.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -76.36 -30.56 57.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.873 0.368 . . . . 0.0 110.125 176.432 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 115' ' ' LYS . 19.9 m -115.14 0.37 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.868 -176.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 83' ' ' PHE . 13.0 mmmm -129.4 -149.32 0.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.556 -176.45 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 75.77 11.54 3.14 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.567 0.747 . . . . 0.0 112.384 173.087 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -111.8 31.93 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.377 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.51 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 2.9 pt-20 -129.15 -164.38 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.477 -173.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.5 -59.43 2.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.737 -179.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HG2' ' HD2' ' A' ' 179' ' ' LYS . 56.0 tptt -163.04 134.82 5.11 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.75 0.309 . . . . 0.0 110.85 -178.171 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 115' ' ' LYS . 54.9 mt -95.47 109.54 46.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.728 177.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HG3' ' HG3' ' A' ' 179' ' ' LYS . 2.6 Cg_exo -76.04 108.1 2.61 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.011 2.474 . . . . 0.0 111.824 176.699 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.424 HD23 ' HB2' ' A' ' 89' ' ' PHE . 69.8 mt -103.74 152.01 22.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.565 178.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 125' ' ' VAL . 5.8 tp -150.96 129.03 11.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.834 176.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.596 ' N ' HD12 ' A' ' 124' ' ' LEU . 25.4 t -103.14 123.03 56.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.975 179.177 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.09 133.89 65.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -175.669 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.58 107.14 3.32 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.842 176.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 94' ' ' SER . 9.8 t30 -95.08 155.13 16.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.585 0.231 . . . . 0.0 110.895 -176.384 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.473 ' HA ' ' C6 ' ' A' ' 500' ' ' GNP . 21.8 tptm 67.52 24.64 8.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.285 175.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 27.3 m -74.29 47.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.644 0.735 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -121.41 -14.2 8.3 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.747 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.34 -44.73 64.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.539 -179.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 65.63 -76.56 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.397 176.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.59 -33.83 75.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.679 0.276 . . . . 0.0 111.513 -174.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 96' ' ' THR . 64.6 mtt180 -89.41 8.48 30.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.669 -176.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.633 HH21 HG21 ' A' ' 95' ' ' ILE . 26.8 ttm180 -56.36 112.88 1.37 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.85 -36.46 19.99 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.219 -174.247 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.5 p -106.45 123.95 37.24 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.435 179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 43.7 Cg_exo -56.85 120.1 7.8 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.86 2.374 . . . . 0.0 111.883 179.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -75.07 -16.59 16.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.307 0.575 . . . . 0.0 109.616 -177.632 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.05 -50.05 74.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.18 178.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 9.0 pt-20 -76.87 -29.6 55.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.799 0.333 . . . . 0.0 110.58 179.225 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.0 81.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.412 176.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 82.6 mtp180 -61.15 -47.8 84.53 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 174.235 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.535 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 7.8 t -68.0 -21.78 65.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.948 -175.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 46.9 mmtt -66.56 -50.65 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.677 174.748 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.469 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -59.51 -36.62 76.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.403 0.62 . . . . 0.0 109.727 173.621 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.529 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 45.1 tt0 -61.01 -47.44 86.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.051 177.006 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 145' ' ' SER . 45.2 mt-10 -60.52 -41.27 94.03 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.846 0.355 . . . . 0.0 111.288 177.895 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.1 m0 -81.07 -9.39 59.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.796 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.64 31.68 32.47 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.951 -0.642 . . . . 0.0 113.005 177.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.469 HG23 ' HB1' ' A' ' 147' ' ' ALA . 12.5 m -124.21 178.61 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.621 0.248 . . . . 0.0 110.883 178.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.528 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.4 pt20 -92.36 156.83 16.97 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.679 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.427 ' HB2' ' HB3' ' A' ' 147' ' ' ALA . 78.3 t80 -130.58 119.26 22.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.018 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.41 133.93 68.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.765 -176.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 173.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.3 p -132.31 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.322 0.582 . . . . 0.0 111.502 -178.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.472 ' HA ' ' O6 ' ' A' ' 500' ' ' GNP . 34.0 t -130.57 118.39 20.96 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 171.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -74.9 -18.93 60.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.525 -176.079 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -78.22 -48.68 15.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.981 0.419 . . . . 0.0 110.455 -178.201 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.8 p -81.71 -18.25 45.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.633 178.023 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 63.4 67.73 0.64 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.17 178.118 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.96 136.9 46.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.559 179.545 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 72.5 -2.73 2.53 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.309 -0.859 . . . . 0.0 112.05 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' ' HD1' ' A' ' 169' ' ' PHE . 59.4 t -66.98 -35.64 75.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.271 0.558 . . . . 0.0 109.67 179.384 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -68.46 -36.51 79.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -72.53 -53.65 11.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.539 -173.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.0 m -55.27 -35.74 37.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 165' ' ' VAL . 45.6 m-85 -74.03 -55.64 5.89 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.042 179.758 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.534 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 20.8 m-85 -61.59 -39.6 91.79 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.803 -0.18 . . . . 0.0 111.425 -175.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -58.63 -50.95 71.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.679 0.276 . . . . 0.0 111.129 179.662 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 176' ' ' ILE . 34.4 tp -64.6 -40.26 95.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.973 0.416 . . . . 0.0 110.05 178.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 58.1 mtp -61.18 -33.1 72.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.258 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 3.6 mmt-85 -68.04 -48.74 64.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 175.185 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 7.3 mm-40 -60.27 -33.73 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 179.564 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.7 mt -57.64 -35.5 50.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.871 0.367 . . . . 0.0 110.109 175.466 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -70.7 -44.3 67.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 14.7 m -55.87 -42.37 75.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.243 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 55.9 mmtt -68.36 -39.65 81.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.518 -178.462 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.93 -22.34 59.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.959 0.409 . . . . 0.0 110.861 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.701 ' HA ' ' HB3' ' A' ' 184' ' ' ASN . 72.6 mtm -85.72 -1.79 57.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.144 177.592 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.7 t -56.34 -66.05 0.5 Allowed 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.4 75.58 3.34 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.053 0.93 . . . . 0.0 108.79 171.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 181' ' ' MET . 32.3 t30 -166.14 -43.18 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.296 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm . . . . . 0 C--O 1.248 0.998 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.813 168.422 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 1.7 p -88.51 56.77 3.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.974 0.416 . . . . 0.0 110.279 178.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.88 -67.24 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.325 -175.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.451 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.4 m -90.2 -23.72 21.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.145 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -58.75 -31.39 68.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.712 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.48 69.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 176.492 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.58 94.55 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.126 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.552 HD12 ' HB3' ' B' ' 442' ' ' LYS . 47.4 mm -60.15 -46.88 93.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.974 0.416 . . . . 0.0 110.79 177.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 99.3 mttt -65.44 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -36.99 85.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.661 176.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.43 ' HB3' HD21 ' B' ' 439' ' ' LEU . 42.5 mt-10 -63.46 -46.81 84.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.128 174.015 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.44 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 85.5 mt -53.69 -52.69 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.335 176.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 66.8 mtp180 -56.77 -40.65 76.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.117 0.484 . . . . 0.0 110.824 178.484 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -58.81 -46.54 87.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 30.6 mm-40 -76.79 -30.88 56.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.7 mt-10 -59.85 -39.61 85.75 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.019 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -62.59 -50.01 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.05 175.387 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.588 ' HB2' HG21 ' B' ' 432' ' ' VAL . 55.7 mt -60.66 -46.09 91.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.009 0.433 . . . . 0.0 110.709 179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 48' ' ' ALA . 1.8 tm? -61.1 -43.91 98.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.61 0.719 . . . . 0.0 109.226 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.69 -46.75 88.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.269 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 34.5 t -59.73 -55.52 33.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.638 -174.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -60.16 -38.17 82.35 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 120.75 0.31 . . . . 0.0 111.125 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -61.88 -44.62 96.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.85 -178.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -76.99 -37.09 55.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -177.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -62.38 -47.86 82.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.24 0.543 . . . . 0.0 111.163 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.652 HD22 ' HA ' ' B' ' 421' ' ' LYS . 48.5 mt -75.09 -25.71 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.997 -174.654 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -62.07 -9.64 7.94 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.261 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.65 13.02 49.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.315 177.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.26 26.01 41.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 33.1 mt -125.57 144.07 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -177.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.652 ' HA ' HD22 ' B' ' 416' ' ' LEU . 17.7 pttm -157.73 157.58 33.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.401 0.619 . . . . 0.0 110.909 169.593 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.5 t70 -147.61 162.88 38.22 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.798 -1.092 . . . . 0.0 108.288 -178.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -66.76 -29.86 69.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.784 0.325 . . . . 0.0 111.167 -173.392 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 22.2 t -68.05 -32.29 72.54 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 176.656 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 16.8 mmtt -74.05 -52.39 12.83 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.822 -178.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 34.7 mt-10 -58.03 -46.99 84.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.643 -173.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.58 -36.76 76.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.577 178.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.577 ' O ' HG12 ' B' ' 432' ' ' VAL . 21.0 tpp180 -63.91 -42.2 97.47 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.386 178.581 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.505 HD11 HD12 ' B' ' 416' ' ' LEU . 8.2 mt -55.38 -51.85 65.49 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.718 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.714 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 16.2 m95 -66.37 -40.93 90.03 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.148 178.535 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' B' ' 435' ' ' ILE . 36.3 tt0 -59.59 -56.12 25.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -176.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.588 HG21 ' HB2' ' B' ' 408' ' ' LEU . 7.3 p -63.11 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.323 0.582 . . . . 0.0 110.484 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.52 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 21.9 tp60 -54.24 -52.98 59.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.415 179.903 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.714 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.99 -32.79 69.72 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.094 -178.727 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.4 mt -62.1 -41.97 93.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.306 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -58.3 -47.93 82.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.841 178.291 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.465 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.6 t -73.77 -32.83 63.99 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.997 0.427 . . . . 0.0 111.004 -177.276 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.57 -37.48 86.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.207 0.527 . . . . 0.0 109.998 176.246 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.59 HD12 ' CD ' ' B' ' 442' ' ' LYS . 1.4 mp -62.78 -34.91 78.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.153 176.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -60.55 -38.57 84.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.039 174.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -68.54 -41.27 80.07 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.407 178.727 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.59 ' CD ' HD12 ' B' ' 439' ' ' LEU . 49.3 mtpt -57.43 -37.13 72.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.739 177.109 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.457 ' CA ' HG21 ' B' ' 398' ' ' ILE . 56.7 tp -63.81 -42.55 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.068 0.461 . . . . 0.0 110.611 178.294 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 444' ' ' ARG . 50.7 mtp85 -81.92 -2.79 52.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.25 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -97.2 -11.82 23.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.723 -179.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.191 -177.241 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.473 ' C6 ' ' HA ' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.401 ' HG2' HD12 ' A' ' 12' ' ' LEU . 35.5 mt-30 -89.73 97.33 11.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.781 0.324 . . . . 0.0 110.443 -178.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -119.54 -42.11 2.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.85 0.357 . . . . 0.0 110.535 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.2 m -116.31 31.36 6.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.952 0.406 . . . . 0.0 110.535 -178.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD12 ' HG2' ' A' ' 9' ' ' GLN . 89.2 mt -108.61 -13.66 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -172.201 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.34 -1.66 41.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.226 0.536 . . . . 0.0 111.488 -177.475 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.9 tp -128.41 125.74 39.21 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.609 177.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -128.54 143.34 50.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.39 -177.265 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HD2' ' CZ3' ' B' ' 430' ' ' TRP . 62.9 mmtt -118.2 113.04 20.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.113 178.823 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG22 HD23 ' A' ' 172' ' ' LEU . 82.9 t -113.38 106.3 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.33 0.586 . . . . 0.0 110.302 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.4 mt -102.35 115.44 44.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.257 178.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 27' ' ' LYS . 48.1 ttm -93.02 120.95 33.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.727 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.4 m -96.37 175.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.881 0.372 . . . . 0.0 111.172 -177.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.43 152.32 6.44 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.196 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -97.1 -69.55 0.75 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.909 0.355 . . . . 0.0 110.743 -173.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.57 -84.75 0.49 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.806 179.296 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 25' ' ' VAL . . . -126.29 -51.96 0.16 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.09 -1.052 . . . . 0.0 112.222 178.014 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 24' ' ' GLY . 2.7 m 57.02 -2.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 125.092 1.357 . . . . 0.0 113.792 176.247 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.656 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 77.28 23.14 69.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.594 -179.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 18.7 ptpt -58.6 -46.1 87.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -177.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.5 m -68.15 -33.33 74.26 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.684 -176.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.74 -45.38 58.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.682 -178.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.681 HD23 ' HB2' ' A' ' 159' ' ' ALA . 91.4 mt -61.12 -43.88 98.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.74 -176.04 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.447 ' HB ' HG21 ' A' ' 66' ' ' ILE . 70.1 p -70.68 -45.57 64.81 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.484 -175.335 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 32' ' ' LEU . 1.4 tm? -55.55 -40.37 71.82 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.165 0.291 . . . . 0.0 110.449 179.156 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -59.26 -41.61 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.33 178.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.416 ' HE2' HG21 ' A' ' 64' ' ' ILE . 65.5 t80 -72.62 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.619 179.228 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.3 mtp -61.32 -46.24 91.09 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.227 -178.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.451 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 82.5 m-85 -110.45 -89.72 0.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.466 -179.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 26.5 t70 165.36 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.809 0.693 . . . . 0.0 109.707 -172.417 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -96.5 153.14 18.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.158 -173.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -75.77 123.69 26.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.366 -172.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.12 126.93 42.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.023 176.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -107.23 -50.17 3.13 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.751 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -115.82 122.9 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.436 -174.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.36 121.94 2.36 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.768 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.1 mt-10 -87.95 -68.47 0.13 Allowed Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -172.525 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.768 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 22.1 Cg_exo -63.15 -85.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.584 2.189 . . . . 0.0 114.4 -163.349 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.568 ' HA ' ' OD1' ' A' ' 49' ' ' ASP . 37.7 p 49.15 50.87 17.26 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.187 0.595 . . . . 0.0 111.642 -172.024 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -87.0 -54.34 4.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.537 175.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.55 27.37 7.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.043 179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' OD1' ' HA ' ' A' ' 46' ' ' THR . 1.7 m-20 -75.11 96.36 3.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.282 -175.643 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 78.4 p -106.34 171.43 7.35 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 168.586 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -164.82 127.2 2.23 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -80.88 106.24 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.935 177.383 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 64' ' ' ILE . 51.4 tptt -99.47 128.67 45.59 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.082 179.122 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -91.07 124.63 35.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.863 0.363 . . . . 0.0 110.377 175.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -133.58 139.65 48.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 171.4 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.31 107.89 22.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-O 121.692 0.758 . . . . 0.0 110.135 -177.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.645 HD12 HH21 ' A' ' 177' ' ' ARG . 88.5 mt -89.26 98.92 12.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.078 -0.965 . . . . 0.0 110.631 -175.299 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 58.76 16.43 4.43 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.523 172.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.11 -40.96 0.92 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 119.54 -1.314 . . . . 0.0 114.412 176.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.93 139.83 34.0 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 117.658 0.729 . . . . 0.0 110.832 -175.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -80.46 109.05 14.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 109.795 178.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.561 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.5 t -109.09 150.84 11.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.28 -170.705 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -114.33 127.58 55.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.279 0.562 . . . . 0.0 111.409 -179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.62 HG23 ' HB3' ' A' ' 53' ' ' LYS . 5.2 tt -117.54 139.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.961 178.332 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.54 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 38.1 t0 -121.03 147.12 45.94 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -178.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 50' ' ' SER . 96.9 mt -131.46 140.08 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.792 0.33 . . . . 0.0 111.747 -171.181 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 64.9 mt -118.74 122.8 43.29 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.814 173.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 30.1 t70 -88.68 103.17 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 174.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 p -75.91 143.48 41.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -168.065 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.24 114.35 26.43 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.872 171.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 71.24 2.95 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.61 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -146.05 159.04 43.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.808 0.337 . . . . 0.0 111.096 -179.679 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.46 -24.05 61.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.109 -179.055 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.487 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.5 m-20 -58.14 -78.96 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.585 0.707 . . . . 0.0 111.779 -176.261 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.559 ' H ' HD13 ' A' ' 72' ' ' LEU . 90.7 m-85 -82.08 62.06 5.64 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.736 -174.316 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.98 -20.27 62.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.39 175.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.974 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -62.93 -25.33 68.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.558 177.337 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.644 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 20.2 mt -78.03 -26.94 14.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.13 179.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -92.89 -65.01 1.03 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.612 177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.36 -53.01 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -174.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.974 HD22 ' HA ' ' A' ' 77' ' ' ALA . 63.1 m-80 -77.11 -18.34 58.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.812 -170.156 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 31.8 m-85 -93.36 -36.6 12.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 122.189 -0.32 . . . . 0.0 111.769 177.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.521 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 6.7 m-30 -58.17 -25.38 61.46 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.575 0.226 . . . . 0.0 111.172 -179.083 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HD3' ' OE2' ' B' ' 426' ' ' GLU . 4.6 mmp_? -47.89 -63.1 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.502 179.131 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.505 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -89.55 17.39 6.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.513 179.633 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.05 159.12 33.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.885 178.148 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 176' ' ' ILE . 10.1 tp10 -115.96 -75.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.741 0.305 . . . . 0.0 110.352 -177.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.53 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.67 150.01 16.72 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.511 -174.655 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -129.36 134.96 48.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.067 0.46 . . . . 0.0 111.638 -176.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 124' ' ' LEU . 79.7 mt -101.87 111.19 23.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.079 174.624 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 104' ' ' THR . 9.9 mp -81.23 105.58 12.54 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.849 HG22 ' HB ' ' A' ' 126' ' ' VAL . 64.1 t -118.33 139.56 45.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.544 -175.066 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 44.7 p90 -152.17 155.83 38.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.96 177.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.9 m -89.45 144.52 25.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 174.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.495 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -71.95 5.46 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.967 0.413 . . . . 0.0 111.411 -179.77 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 132' ' ' LEU . 16.7 p -107.54 -34.31 7.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.927 0.394 . . . . 0.0 110.338 172.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -77.88 93.27 4.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.785 177.576 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.18 -28.82 62.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.441 -173.129 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -64.43 -45.17 88.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 -177.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 p -64.86 -27.31 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.923 178.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -65.66 -47.62 74.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.354 177.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.6 m -67.99 -35.41 78.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.289 0.566 . . . . 0.0 110.492 178.609 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.77 63.23 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.567 -175.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 38.3 p -56.83 -44.82 82.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.941 0.401 . . . . 0.0 111.049 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.25 -34.9 78.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.193 0.52 . . . . 0.0 110.427 178.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.92 -36.47 72.68 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.108 178.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.495 ' O ' HG13 ' A' ' 111' ' ' ILE . 17.7 m-85 -57.09 -40.65 77.37 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.065 177.705 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -55.02 -52.51 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.626 179.155 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -68.89 -32.22 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.855 -179.24 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.94 -27.38 64.7 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.365 0.603 . . . . 0.0 109.845 179.205 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.3 mt -71.87 -52.45 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.355 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.605 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 10.5 mp -64.95 -15.41 62.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.984 0.421 . . . . 0.0 111.687 -179.432 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -71.1 -30.24 66.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.584 177.167 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.0 m -113.65 -15.46 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.984 -175.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.631 ' HB2' ' OE2' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -154.37 132.41 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.834 0.349 . . . . 0.0 110.533 -179.361 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -162.81 -39.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.731 -178.352 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -88.09 69.58 9.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.557 0.694 . . . . 0.0 110.408 -176.26 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.631 ' OE2' ' HB2' ' A' ' 115' ' ' LYS . 9.4 pt-20 -149.86 -158.24 0.9 Allowed 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.67 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 60.1 m-20 -60.2 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.523 0.201 . . . . 0.0 111.156 -177.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 119' ' ' ASP . 13.1 mmtp -168.87 122.58 0.83 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.121 178.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 79.5 mt -78.86 113.25 33.75 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.163 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 5.0 Cg_endo -87.48 127.83 2.45 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.595 2.863 . . . . 0.0 112.377 177.585 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -121.85 133.8 54.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.236 179.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.71 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -126.68 121.97 33.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.154 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.439 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -89.85 121.54 40.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.086 -178.439 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.849 ' HB ' HG22 ' A' ' 92' ' ' VAL . 41.0 t -120.33 126.07 74.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.744 -174.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.18 139.88 15.2 Favored Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 173.858 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.552 ' ND2' ' HA3' ' A' ' 26' ' ' GLY . 57.9 t30 -133.83 161.67 34.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 117.289 0.545 . . . . 0.0 110.335 -178.345 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 128' ' ' ASN . 2.1 mptm? 71.51 24.24 3.65 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.737 0.648 . . . . 0.0 110.907 -176.354 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -61.29 -8.22 3.61 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -70.05 -16.28 63.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.327 0.584 . . . . 0.0 110.324 174.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 96' ' ' THR . 69.5 mt -81.16 50.05 1.35 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.033 179.762 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.79 -29.46 68.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.998 0.428 . . . . 0.0 111.055 -178.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -92.92 -7.36 46.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.143 -0.348 . . . . 0.0 111.673 -177.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.487 ' O ' HG22 ' A' ' 96' ' ' THR . 94.2 mtt180 -123.77 3.65 8.84 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.663 -0.415 . . . . 0.0 112.045 -176.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -54.56 114.26 1.61 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.919 0.39 . . . . 0.0 110.638 -179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -91.67 -29.74 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.365 -176.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.6 p -114.94 121.56 35.13 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 120.341 -0.544 . . . . 0.0 110.874 178.467 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -57.83 122.6 12.01 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.509 2.14 . . . . 0.0 111.148 176.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.7 OUTLIER -72.24 -7.67 9.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.039 0.447 . . . . 0.0 110.599 -174.647 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -56.16 -60.12 3.95 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.118 178.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -19.45 61.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.07 0.462 . . . . 0.0 110.911 -178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.91 -41.15 87.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.106 174.76 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 46.5 mtp180 -67.16 -37.07 83.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.847 175.394 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 21.0 t -59.7 -44.93 93.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.838 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -54.78 -48.87 72.14 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.457 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -58.7 -38.94 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.051 0.453 . . . . 0.0 110.873 176.589 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.98 -34.58 75.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.958 -179.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 44.2 mt-10 -63.9 -34.31 77.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.639 178.363 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 25.6 m0 -89.89 -6.95 55.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -177.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.71 25.38 50.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.736 177.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.457 HG23 ' HB1' ' A' ' 147' ' ' ALA . 19.7 m -117.01 -178.88 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-O 120.953 0.406 . . . . 0.0 111.273 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.71 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -100.19 151.48 21.38 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 -178.469 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 74.7 t80 -122.75 128.48 50.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.804 175.558 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 57.9 t -133.4 133.76 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.292 -178.755 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -91.52 136.33 33.2 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 174.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.9 p -128.88 154.95 46.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.124 0.488 . . . . 0.0 110.978 -176.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.6 m -135.93 100.1 4.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.136 174.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.681 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -59.95 -21.02 60.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.27 179.866 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -63.41 -38.52 91.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.838 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.4 p -112.6 3.12 16.5 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.192 -178.052 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 63.62 20.49 12.26 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.675 -177.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.2 118.05 15.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.726 -176.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 66.73 8.14 5.72 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.284 175.005 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 97.4 t -65.28 -46.26 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 111.676 -174.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -75.9 -22.72 55.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.217 -176.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -60.19 -53.67 54.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.145 -177.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.3 m -59.57 -25.96 33.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -175.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -74.41 -42.42 59.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.825 0.345 . . . . 0.0 110.551 177.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.95 -41.09 78.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -48.6 81.05 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.881 178.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.405 HD23 HG22 ' A' ' 17' ' ' VAL . 43.3 tp -65.05 -37.14 86.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.321 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.0 mtm -66.78 -31.08 71.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.308 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -69.0 -39.11 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.621 177.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.562 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.0 mm-40 -53.6 -48.5 69.19 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 111.375 172.527 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.5 mt -55.96 -34.95 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.669 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.645 HH21 HD12 ' A' ' 57' ' ' LEU . 82.9 mtt-85 -68.97 -50.17 51.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.58 178.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.5 m -60.79 -36.38 78.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.562 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.8 mptt -64.56 -46.93 80.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.265 178.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 74.4 mmtt -74.1 -33.12 63.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.852 -175.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.4 mtm -85.21 -23.49 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.695 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 9.4 t 63.93 -161.24 0.29 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.915 0.759 . . . . 0.0 110.117 -177.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -96.2 -18.51 20.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.94 0.4 . . . . 0.0 110.856 -178.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -87.19 36.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.936 -177.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 185' ' ' LYS . 3.8 ptmm? . . . . . 0 C--O 1.252 1.22 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.681 178.212 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 112.155 -0.378 . . . . 0.0 112.155 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.6 p -137.34 18.24 2.94 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -177.177 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 3.4 mp0 -54.22 -52.43 61.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.328 -179.684 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.523 ' O ' HG12 ' B' ' 398' ' ' ILE . 25.4 m -75.65 -37.41 59.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.377 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -56.28 -38.35 71.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.546 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.84 -53.34 59.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.957 178.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.88 -40.85 99.78 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.893 179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.627 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.3 mm -54.12 -51.16 49.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.678 0.275 . . . . 0.0 110.753 177.721 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 52.2 mttm -57.34 -41.55 80.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.696 -178.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -70.34 -35.62 73.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.58 0.229 . . . . 0.0 111.465 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 25.7 mt-10 -70.26 -34.56 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.867 178.033 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.627 HG13 ' O ' ' B' ' 398' ' ' ILE . 59.0 mt -57.94 -50.47 77.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 171.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 70.0 mtm180 -57.33 -37.21 72.17 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.458 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.0 ttm180 -58.99 -49.36 78.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.335 177.124 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 52.0 mm-40 -72.85 -35.92 67.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 -176.257 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.59 ' HG2' HD21 ' B' ' 436' ' ' LEU . 64.0 mt-10 -60.77 -38.08 84.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.699 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -73.24 -49.86 25.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.162 176.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 84.9 mt -57.61 -46.1 84.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.888 -178.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.555 HD13 HG13 ' B' ' 432' ' ' VAL . 29.9 tp -72.36 -33.04 66.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.369 -178.551 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.67 -41.5 99.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.107 175.835 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 8.9 t -60.66 -53.54 56.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 416' ' ' LEU . 1.8 mm? -52.25 -40.95 62.38 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.141 175.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -62.33 -44.57 96.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.152 177.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.477 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 61.8 mtt180 -77.46 -51.07 11.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.9 -46.47 89.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 0.0 111.794 -176.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.702 ' HG ' ' HD2' ' B' ' 425' ' ' LYS . 6.4 mp -67.73 -25.64 65.75 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 -174.427 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.477 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 35.1 mt-30 -57.84 -24.63 58.35 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.803 0.335 . . . . 0.0 110.492 174.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.45 -12.48 77.12 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 116.115 -0.493 . . . . 0.0 113.181 -176.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 95.53 0.23 62.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.677 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.8 116.42 7.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.568 ' HA ' ' HD3' ' B' ' 425' ' ' LYS . 19.3 ptpt -121.12 142.42 49.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 122.236 1.017 . . . . 0.0 113.567 -174.426 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.667 ' O ' ' HG2' ' B' ' 425' ' ' LYS . 11.1 t70 -150.18 167.73 26.02 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 113.218 -1.81 . . . . 0.0 106.534 173.445 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 11.1 mp -71.97 -31.5 66.34 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 118.926 0.784 . . . . 0.0 109.13 171.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' B' ' 428' ' ' ARG . 5.9 m -66.0 -32.37 73.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.846 -177.407 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.702 ' HD2' ' HG ' ' B' ' 416' ' ' LEU . 20.0 pttp -63.58 -46.7 84.67 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 120.715 0.293 . . . . 0.0 111.122 -174.219 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.592 ' N ' ' HG3' ' B' ' 425' ' ' LYS . 1.7 pt-20 -72.45 -40.13 67.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -177.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.2 mt-10 -62.1 -45.46 93.38 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.039 176.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 0.0 OUTLIER -71.16 -29.21 64.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.046 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.437 ' CD2' ' HB3' ' B' ' 412' ' ' LEU . 1.3 mt -56.45 -50.34 72.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 O-C-N 123.345 0.403 . . . . 0.0 109.975 175.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.602 ' CZ3' ' HD2' ' A' ' 16' ' ' LYS . 80.3 m95 -71.2 -32.09 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.534 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.719 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 45.6 mt-10 -63.8 -56.63 14.0 Favored 'General case' 0 C--O 1.226 -0.134 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.063 -178.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.555 HG13 HD13 ' B' ' 409' ' ' LEU . 7.7 p -65.08 -33.46 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.261 0.553 . . . . 0.0 109.953 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -55.88 -50.72 69.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.293 177.061 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.719 ' HD2' ' HA ' ' B' ' 431' ' ' GLU . 0.4 OUTLIER -70.94 -27.36 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.471 -176.545 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.545 HD12 ' HA ' ' B' ' 432' ' ' VAL . 31.5 mt -75.0 -39.55 44.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.054 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.59 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.4 tm? -57.66 -49.34 76.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.885 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 8.1 t -70.44 -36.27 73.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.753 0.311 . . . . 0.0 110.6 -178.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.55 -37.56 87.05 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.362 -0.381 . . . . 0.0 109.979 177.263 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.834 ' HA ' ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -65.28 -41.1 94.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.321 -178.896 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.9 -29.67 68.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.279 0.561 . . . . 0.0 110.313 177.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.466 HH11 ' HB2' ' B' ' 445' ' ' GLU . 0.5 OUTLIER -68.24 -43.18 78.47 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.834 ' HD3' ' HA ' ' B' ' 439' ' ' LEU . 25.8 mtpp -58.44 -31.49 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.78 175.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.624 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.5 tm? -68.6 -40.25 80.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.077 178.885 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -81.47 -3.52 53.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 110.464 177.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.466 ' HB2' HH11 ' B' ' 441' ' ' ARG . 6.0 tp10 -91.92 -17.25 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.974 175.631 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.984 -177.333 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.656 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.442 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -118.55 124.32 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.834 0.349 . . . . 0.0 110.06 -179.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.4 t -72.03 -54.27 10.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.858 -173.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -83.7 81.45 8.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.287 0.565 . . . . 0.0 110.892 -172.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.7 mt -125.0 6.57 7.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.729 175.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 62' ' ' VAL . . . -84.11 6.53 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.135 -172.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -101.3 108.73 20.45 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -116.25 148.82 40.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.069 0.462 . . . . 0.0 111.928 -173.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -131.45 107.16 8.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.715 174.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 m -118.05 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.526 0.679 . . . . 0.0 110.322 -178.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 75.0 mt -104.68 114.95 45.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.983 -178.088 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.42 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 55.8 ttm -85.96 127.81 34.71 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 175.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.78 166.43 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.035 0.445 . . . . 0.0 111.3 -176.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.46 161.44 22.92 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.759 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.5 m -82.6 17.94 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.367 0.603 . . . . 0.0 110.447 -176.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.52 -70.45 0.51 Allowed Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.376 -176.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.56 -99.8 0.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.454 -0.403 . . . . 0.0 113.37 -177.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m 50.42 18.11 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 C-N-CA 125.036 1.334 . . . . 0.0 113.656 179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.26 19.53 78.73 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.158 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 16.3 ttpp -84.81 57.38 4.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.024 0.916 . . . . 0.0 110.046 -173.7 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.591 ' HB2' ' O1A' ' A' ' 500' ' ' GNP . 4.9 m -156.65 -34.23 0.08 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 113.914 -1.494 . . . . 0.0 109.487 167.797 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.77 -55.16 9.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.382 178.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.39 -37.79 78.87 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.668 -176.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.603 ' HB ' HG21 ' A' ' 66' ' ' ILE . 53.1 p -66.87 -48.67 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.045 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' CB ' HG21 ' A' ' 40' ' ' VAL . 87.4 mt -67.72 -30.77 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.733 179.407 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.709 HE22 ' HA ' ' A' ' 39' ' ' PHE . 21.1 mm-40 -58.52 -43.19 89.1 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' HE2' HG21 ' A' ' 64' ' ' ILE . 59.5 t80 -72.69 -23.52 60.89 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.842 0.354 . . . . 0.0 111.086 -177.169 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 51' ' ' TYR . 65.8 mtm -96.26 -43.97 7.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -174.449 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -88.46 -13.61 39.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.082 -179.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 72.8 -39.74 0.46 Allowed 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.964 0.79 . . . . 0.0 112.031 177.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -97.43 172.41 7.78 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 122.401 0.28 . . . . 0.0 110.938 -179.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.709 ' HA ' HE22 ' A' ' 33' ' ' GLN . 46.7 t80 -75.5 145.4 41.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.36 -177.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.44 HG21 ' CB ' ' A' ' 32' ' ' LEU . 60.6 t -99.61 132.02 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.624 -171.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -87.91 -68.45 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 175.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -134.62 128.21 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.05 0.452 . . . . 0.0 111.75 -179.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -156.34 91.57 1.26 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 38.7 tt0 -71.6 -53.6 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -172.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 32.3 Cg_exo -58.55 96.82 0.09 OUTLIER 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.07 1.847 . . . . 0.0 112.785 -175.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.554 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 15.8 p -144.76 27.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.166 177.431 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -86.75 -56.24 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.12 0.486 . . . . 0.0 110.691 -179.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.83 27.46 6.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.626 178.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.86 107.4 18.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.696 -170.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 30.8 m -93.26 166.77 12.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.612 171.603 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 40.3 t80 -154.71 141.91 19.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.933 0.397 . . . . 0.0 110.161 178.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 52' ' ' ARG . 38.0 mtp-105 -100.99 121.25 41.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.306 -175.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 54.5 tptt -107.31 133.42 51.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.036 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -99.87 127.94 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.174 176.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.9 m -131.92 163.44 37.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.376 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.3 t -114.39 113.33 43.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.669 176.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.6 94.99 9.89 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 169.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 23.07 76.71 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.245 1.591 . . . . 0.0 114.054 -176.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.26 -52.66 0.82 Allowed Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.14 -1.029 . . . . 0.0 114.349 173.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -103.16 147.48 26.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 117.566 0.683 . . . . 0.0 111.899 -170.138 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -76.41 114.11 14.75 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.599 ' HA ' ' HB1' ' A' ' 13' ' ' ALA . 10.0 t -106.65 141.4 21.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.831 -171.36 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -112.47 117.65 32.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 -178.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 9.8 tt -119.39 113.16 40.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.333 0.587 . . . . 0.0 109.599 174.717 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -98.77 131.13 45.14 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.836 -178.754 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG21 ' HB ' ' A' ' 31' ' ' THR . 37.6 mm -107.54 128.62 62.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.093 -174.346 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.0 tp -109.83 122.89 48.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 176.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.554 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 43.4 t0 -94.76 112.75 24.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 173.24 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.0 p -86.74 116.61 24.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.04 0.447 . . . . 0.0 112.073 -175.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.65 2.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.48 174.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.34 88.44 0.91 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.195 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -157.99 165.43 35.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.787 0.327 . . . . 0.0 110.855 -178.917 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -96.22 -3.55 44.03 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.458 178.119 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.403 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.2 m-20 -57.13 -70.05 0.14 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.253 176.684 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.678 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 96.0 m-85 -83.02 -52.53 6.58 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.775 -176.409 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.04 -38.35 0.33 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.592 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -56.55 -30.2 62.84 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 123.411 0.685 . . . . 0.0 112.207 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 25.2 mt -70.52 -28.44 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.135 -178.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -93.86 -65.95 0.95 Allowed 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.461 178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -74.84 -52.34 11.6 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.245 0.545 . . . . 0.0 111.62 -172.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.786 ' HB3' HD23 ' B' ' 416' ' ' LEU . 90.1 m-20 -72.01 -16.28 62.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.392 -171.201 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' OH ' HD11 ' B' ' 409' ' ' LEU . 1.2 m-85 -91.53 -33.57 15.11 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -178.086 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 11.1 m-30 -59.25 -28.46 66.73 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -169.232 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -60.79 -42.7 98.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.249 -0.181 . . . . 0.0 111.446 -173.131 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.668 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 19.9 m -84.89 12.97 6.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.823 0.344 . . . . 0.0 111.811 -177.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -156.95 29.57 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 174.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 3.5 tp10 -164.88 -61.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 117.084 0.442 . . . . 0.0 110.18 178.617 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.08 138.44 14.33 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.944 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -130.72 137.86 49.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.106 0.479 . . . . 0.0 111.932 -176.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 124' ' ' LEU . 82.2 mt -108.1 112.88 25.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.912 176.861 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.3 106.27 18.33 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.596 HG22 ' HB ' ' A' ' 126' ' ' VAL . 58.3 t -112.04 132.17 61.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.877 0.37 . . . . 0.0 111.077 -175.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.4 164.98 29.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.731 178.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.4 t -99.97 142.67 31.14 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 176.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.555 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.65 13.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.09 0.471 . . . . 0.0 111.207 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 132' ' ' LEU . 30.4 p -126.53 -30.39 2.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 175.136 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -82.53 97.19 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.58 -29.99 70.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.066 -174.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -68.48 -31.54 70.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.809 0.338 . . . . 0.0 110.412 -178.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.6 m -73.77 -31.2 63.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.075 177.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -65.93 -47.95 73.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 m -68.08 -28.0 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.166 0.508 . . . . 0.0 110.781 178.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.84 -14.36 62.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.462 -177.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 29.1 p -55.8 -40.79 73.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.729 0.3 . . . . 0.0 111.521 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.57 -41.25 98.41 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.994 0.426 . . . . 0.0 110.449 176.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -60.43 -43.79 96.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.725 178.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.7 m-85 -60.62 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.203 177.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -57.47 -53.92 52.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.754 -178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -62.95 -34.26 77.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.963 -176.925 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -38.32 83.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.924 0.392 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.503 HG22 HD13 ' A' ' 121' ' ' ILE . 65.5 mt -66.64 -40.18 85.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.896 -178.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -75.23 -10.35 59.39 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.064 179.081 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -76.96 -45.64 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.172 0.51 . . . . 0.0 110.056 174.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 34.7 m -89.05 -27.25 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.29 -173.647 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.495 ' CG ' ' HG3' ' A' ' 118' ' ' GLU . 45.7 mttm -103.14 -98.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.274 -179.532 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.14 -52.63 0.47 Allowed 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.865 0.866 . . . . 0.0 113.092 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -82.27 7.95 12.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 111.565 -177.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.495 ' HG3' ' CG ' ' A' ' 115' ' ' LYS . 6.4 mm-40 -82.38 -178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.99 -177.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.73 -76.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 178.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.424 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 30.2 mmmt -144.25 138.99 28.38 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 -178.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.503 HD13 HG22 ' A' ' 111' ' ' ILE . 36.9 mt -113.08 108.46 53.06 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.329 -178.167 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 9.4 Cg_endo -89.05 111.28 0.54 Allowed 'Trans proline' 0 N--CA 1.455 -0.765 0 C-N-CA 123.599 2.866 . . . . 0.0 112.42 177.629 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -105.36 121.62 44.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.736 177.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.687 ' HB3' HD23 ' A' ' 90' ' ' LEU . 3.4 tt -106.21 121.84 44.99 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.24 118.15 34.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.287 0.565 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.596 ' HB ' HG22 ' A' ' 92' ' ' VAL . 47.5 t -111.52 122.93 66.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.88 -175.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.0 109.33 3.68 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 175.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.42 162.93 12.54 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.628 -0.336 . . . . 0.0 110.568 -176.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.61 ' HD2' ' HG ' ' A' ' 132' ' ' LEU . 10.9 mmtt 72.6 29.47 2.02 Favored 'General case' 0 N--CA 1.461 0.118 0 O-C-N 123.771 0.669 . . . . 0.0 111.57 179.767 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 64.1 m -63.81 -3.32 2.32 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 178.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.73 -5.53 43.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.313 0.578 . . . . 0.0 110.265 173.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 96' ' ' THR . 84.3 mt -99.6 35.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.075 173.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -58.78 -22.62 58.6 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -91.91 -25.63 18.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.146 0.498 . . . . 0.0 110.391 177.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -103.62 17.1 24.84 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.513 -173.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.588 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 40.6 ttp180 -48.55 113.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.789 0.681 . . . . 0.0 111.228 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 21.7 tm0? -88.08 -40.62 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.95 126.46 28.21 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.019 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.588 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 69.4 Cg_exo -52.02 116.82 3.03 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.72 2.28 . . . . 0.0 111.81 178.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.445 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.9 OUTLIER -69.6 -18.83 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.34 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.9 mp0 -60.01 -52.15 66.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.588 177.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.442 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.9 pt-20 -70.38 -30.12 66.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.126 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.4 93.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.096 175.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 18.9 mtp180 -60.34 -47.18 87.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.112 172.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' A' ' 148' ' ' GLU . 7.7 t -63.42 -17.96 63.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.206 -177.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 51.0 mmtt -79.95 -40.79 27.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.866 175.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -63.71 -39.86 95.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 109.042 171.375 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.563 ' HB3' ' HA ' ' A' ' 145' ' ' SER . 36.7 tt0 -59.62 -43.99 93.62 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.615 173.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.52 -41.79 81.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.178 178.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -88.44 -6.21 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.803 -176.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.38 39.55 42.6 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.997 177.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.477 HG23 ' HB1' ' A' ' 147' ' ' ALA . 31.1 m -121.16 -173.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.189 0.519 . . . . 0.0 111.652 -179.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.637 ' HG2' ' HG ' ' A' ' 124' ' ' LEU . 1.7 pm0 -95.68 145.73 25.05 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.462 178.274 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.461 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 68.3 t80 -126.82 121.34 31.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.969 177.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 40.0 t -127.78 135.58 62.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -178.202 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -85.89 143.71 28.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.349 175.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 16.4 p -131.36 136.34 47.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.2 0.524 . . . . 0.0 110.875 -179.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.4 m -121.82 100.93 7.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.102 178.0 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.79 -18.36 64.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -73.78 -17.28 61.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.214 -179.351 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.5 p -132.55 -0.83 3.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.751 0.31 . . . . 0.0 110.883 -176.39 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 61.94 30.8 18.17 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.851 0.834 . . . . 0.0 110.212 -178.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.59 128.35 38.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.618 -177.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 68.78 6.71 5.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.333 173.663 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.69 -37.49 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.969 0.414 . . . . 0.0 110.807 -177.119 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -76.83 -29.78 56.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.61 -177.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.46 -43.14 97.19 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -175.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -63.13 -30.8 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.642 0.258 . . . . 0.0 111.59 -175.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -75.17 -43.11 54.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.612 0.244 . . . . 0.0 110.725 178.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -64.89 -45.66 85.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.165 179.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.09 -48.87 79.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.717 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 124' ' ' LEU . 39.7 tp -65.13 -32.84 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.912 0.387 . . . . 0.0 111.075 -178.688 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 64.0 mtm -65.31 -36.35 83.78 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.842 176.786 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 45.8 mmm-85 -70.09 -34.84 73.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.456 177.413 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.632 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.5 mm-40 -56.68 -43.29 80.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.859 172.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.36 -33.69 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.007 178.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 74.2 mtt180 -61.82 -50.64 71.48 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.977 0.418 . . . . 0.0 110.146 177.484 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 19.0 m -60.8 -44.58 96.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.878 -178.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.5 mptt -62.9 -45.38 92.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.412 -178.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.31 -35.89 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.069 0.461 . . . . 0.0 111.407 179.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.0 mtm -88.11 0.54 55.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.105 -178.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 183' ' ' GLU . 73.9 m -67.99 76.89 0.22 Allowed 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -173.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 182' ' ' SER . 31.0 tt0 174.86 71.01 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.946 0.898 . . . . 0.0 109.033 168.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -96.68 79.3 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.606 -177.442 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt . . . . . 0 N--CA 1.442 -0.84 0 CA-C-O 118.465 -0.779 . . . . 0.0 110.03 177.903 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 50.6 m -81.5 59.4 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 179.328 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -70.84 -40.02 72.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 0.0 110.802 -178.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.608 ' O ' HG12 ' B' ' 398' ' ' ILE . 6.2 m -77.17 -43.64 33.15 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.683 -179.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 57.6 mt-30 -62.66 -32.85 73.98 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.066 177.088 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -53.2 -55.05 27.35 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.136 0.273 . . . . 0.0 110.635 177.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.72 -37.84 94.19 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 178.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' B' ' 442' ' ' LYS . 41.8 mm -63.22 -50.2 80.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.509 178.041 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.2 mttt -60.04 -36.67 77.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.874 -179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.9 mt-10 -58.75 -46.73 86.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 175.789 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.72 -45.53 78.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.132 178.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' B' ' 443' ' ' LEU . 98.1 mt -55.86 -53.41 38.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.566 -179.675 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.476 ' HD2' ' OE1' ' B' ' 406' ' ' GLU . 29.9 mmm180 -64.11 -30.58 71.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 26.8 ttt180 -66.09 -51.38 58.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.137 179.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.412 ' OE1' HD12 ' B' ' 408' ' ' LEU . 71.3 mm-40 -75.76 -27.29 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.992 -176.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.476 ' OE1' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -59.18 -46.87 87.27 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.84 -44.41 73.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.677 178.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.7 mt -58.51 -50.73 72.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.967 -179.343 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.545 HD11 ' OH ' ' A' ' 82' ' ' TYR . 18.0 tp -66.8 -33.67 76.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.788 178.229 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 57.6 t30 -66.46 -46.28 76.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.114 179.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . 0.578 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 9.3 t -59.74 -43.79 94.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.252 -178.197 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.578 HD11 ' HG3' ' B' ' 428' ' ' ARG . 71.9 mt -60.72 -41.09 94.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.413 175.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.702 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 22.8 m-70 -58.97 -45.74 89.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.729 176.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.578 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 76.0 mtm180 -61.54 -45.58 93.56 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.489 0.493 . . . . 0.0 111.524 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.69 -43.77 93.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.315 0.579 . . . . 0.0 111.139 -176.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 81' ' ' ASN . 10.8 mp -78.56 -24.15 45.72 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.513 -175.506 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.702 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 71.3 mt-30 -55.45 -33.01 63.22 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 120.729 0.299 . . . . 0.0 111.06 178.561 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.84 0.11 72.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.743 -177.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.95 -13.12 59.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.766 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 59.2 mt -79.15 115.52 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.954 0.407 . . . . 0.0 110.313 -179.884 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.678 ' HD3' ' OD1' ' A' ' 81' ' ' ASN . 55.3 pttt -142.99 154.23 43.8 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 177.29 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.577 ' HB3' ' HE3' ' B' ' 425' ' ' LYS . 15.8 t70 -148.21 164.36 34.19 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.449 -1.251 . . . . 0.0 107.748 -177.372 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -61.1 -34.47 74.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.035 0.445 . . . . 0.0 110.285 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 19.1 t -64.79 -32.38 74.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' B' ' 416' ' ' LEU . 19.4 mmtp -71.96 -53.25 13.64 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.015 0.435 . . . . 0.0 110.523 -175.695 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' B' ' 429' ' ' LEU . 15.4 mt-10 -60.97 -44.64 97.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.119 -172.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.82 -33.02 62.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.916 -177.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.611 ' O ' HG12 ' B' ' 432' ' ' VAL . 28.2 tpt180 -69.6 -34.67 74.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.043 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.674 HD11 HD22 ' B' ' 416' ' ' LEU . 17.3 mt -55.94 -57.03 13.81 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.335 177.689 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.668 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 80.9 m95 -64.41 -30.43 71.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.491 179.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 41.7 tt0 -66.5 -55.58 14.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.481 0.182 . . . . 0.0 111.285 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.611 HG12 ' O ' ' B' ' 428' ' ' ARG . 3.9 p -65.07 -32.94 60.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.252 0.549 . . . . 0.0 109.892 177.755 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 28.8 tp60 -54.45 -51.51 64.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.519 176.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 1.9 ptm180 -68.74 -27.02 65.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.373 -177.376 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -72.12 -46.87 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.455 176.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.2 tm? -57.3 -41.04 79.09 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 111.268 179.794 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 11.9 t -74.2 -35.63 63.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -177.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.586 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -63.59 -35.14 79.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.361 0.601 . . . . 0.0 109.598 176.007 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.933 HD23 ' HD3' ' B' ' 442' ' ' LYS . 84.1 mt -66.45 -34.8 78.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.417 178.191 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -59.57 -38.88 82.34 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.923 HH11 ' HG3' ' B' ' 445' ' ' GLU . 6.8 tmm_? -64.45 -47.41 79.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.487 176.554 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.933 ' HD3' HD23 ' B' ' 439' ' ' LEU . 48.2 mtpt -58.57 -40.22 82.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.23 -179.225 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' B' ' 402' ' ' ILE . 64.7 tp -60.43 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.987 0.423 . . . . 0.0 111.2 -179.3 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -81.6 -5.96 58.54 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.775 -178.417 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.923 ' HG3' HH11 ' B' ' 441' ' ' ARG . 2.1 tm-20 -83.96 -29.67 26.86 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.238 -178.108 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.417 -0.801 . . . . 0.0 111.011 -177.988 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.591 ' O1A' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -155.49 -75.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -157.22 -63.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.611 177.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.477 ' HB2' ' HD2' ' A' ' 180' ' ' LYS . 4.3 p -77.1 10.45 2.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.368 0.604 . . . . 0.0 111.281 -179.505 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 177' ' ' ARG . 82.4 mt -101.56 -6.53 23.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.008 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.29 -9.76 59.38 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.459 0.647 . . . . 0.0 111.209 -177.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.4 mt -136.35 115.04 12.01 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.062 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -102.72 114.27 28.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.58 117.42 22.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.803 0.335 . . . . 0.0 111.526 -176.118 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.497 ' HB ' HD13 ' A' ' 66' ' ' ILE . 96.3 t -125.38 107.12 17.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.935 176.701 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 HD12 ' CE2' ' A' ' 89' ' ' PHE . 61.4 mt -98.55 121.57 49.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.454 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.474 ' SD ' HD12 ' A' ' 90' ' ' LEU . 89.1 mmm -89.98 104.95 17.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.553 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 90' ' ' LEU . 22.9 m -95.41 162.21 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.76 0.314 . . . . 0.0 110.611 -178.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.61 147.44 4.98 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.978 -0.629 . . . . 0.0 111.571 179.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.512 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 16.3 t -60.47 -44.99 95.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.305 179.773 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.73 -88.9 0.99 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.898 ' HA2' ' HD3' ' A' ' 27' ' ' LYS . . . -175.19 63.13 0.1 Allowed Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.493 178.29 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 ' OD1' ' A' ' 128' ' ' ASN . 21.3 t -55.61 -57.07 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.008 0.432 . . . . 0.0 110.889 178.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.73 47.51 0.73 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.414 -0.675 . . . . 0.0 111.414 177.832 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.898 ' HD3' ' HA2' ' A' ' 24' ' ' GLY . 56.7 mtpt -85.3 -77.2 0.29 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.614 0.245 . . . . 0.0 111.285 -176.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 m -74.76 -10.15 59.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.062 0.458 . . . . 0.0 110.854 -177.465 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.53 -48.65 47.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.753 179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 159' ' ' ALA . 89.1 mt -73.03 -30.97 64.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.42 -175.509 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 35' ' ' MET . 20.4 p -63.71 -44.12 94.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.245 . . . . 0.0 111.238 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.67 -39.6 94.43 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.317 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.784 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.1 mm-40 -59.35 -40.41 86.29 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-O 121.2 0.524 . . . . 0.0 110.459 177.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -71.17 -17.35 62.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.546 -178.112 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' THR . 86.3 mtp -93.76 -47.71 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.143 -0.348 . . . . 0.0 111.819 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 65.5 m-85 -114.9 -11.72 12.16 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -175.634 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER 68.25 0.57 2.53 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.838 0.455 . . . . 0.0 111.32 -173.138 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' HA ' HH11 ' A' ' 162' ' ' ARG . 16.1 mm-40 -100.3 161.29 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.383 179.389 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.784 ' HA ' HE22 ' A' ' 33' ' ' GLN . 78.8 t80 -76.65 135.46 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.321 179.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 p -67.57 118.74 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.374 0.607 . . . . 0.0 110.741 -179.041 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -89.82 -55.12 3.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.661 -177.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.69 113.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -177.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.562 ' HE2' ' HH ' ' A' ' 51' ' ' TYR . 38.9 t80 -172.22 111.73 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.266 176.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.617 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 41.4 mt-10 -98.69 -56.44 0.17 Allowed Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.322 179.533 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 79.6 Cg_exo -49.57 116.56 2.39 Favored 'Trans proline' 0 C--N 1.362 1.28 0 C-N-CA 123.207 2.605 . . . . 0.0 114.782 -171.062 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.84 25.28 0.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.69 172.514 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -85.64 -51.33 6.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.449 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' HB1' HD23 ' B' ' 409' ' ' LEU . . . -125.42 17.81 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.684 -179.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.3 172.29 7.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.129 0.49 . . . . 0.0 111.482 -177.212 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.3 m -153.31 156.4 38.31 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 -177.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' HH ' ' HE2' ' A' ' 43' ' ' TYR . 85.3 m-85 -112.57 108.21 17.21 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.485 -175.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HG3' ' B' ' 441' ' ' ARG . 3.8 ptm180 -90.04 106.58 18.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.861 0.839 . . . . 0.0 110.039 176.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -126.16 128.29 47.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.993 -176.324 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -76.1 130.24 38.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.113 0.482 . . . . 0.0 110.174 177.415 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 62' ' ' VAL . 5.0 m -129.14 141.5 46.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.499 174.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 5.9 p -122.78 106.67 17.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.626 0.727 . . . . 0.0 110.737 -177.249 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -89.69 99.43 12.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.025 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 p30 55.59 5.62 0.15 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.74 1.216 . . . . 0.0 113.415 177.225 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.34 -32.42 0.64 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.361 -0.924 . . . . 0.0 113.123 177.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 56' ' ' VAL . 11.9 pt-20 -80.29 113.06 18.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 117.007 0.403 . . . . 0.0 110.937 -178.603 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.88 101.29 8.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 109.985 174.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.741 HG23 HG23 ' A' ' 55' ' ' VAL . 32.8 m -116.75 -173.77 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.27 -179.452 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -128.92 150.62 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.311 -179.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.565 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.9 tt -106.73 141.24 22.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 176.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -112.52 109.82 19.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -175.553 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.497 HD13 ' HB ' ' A' ' 17' ' ' VAL . 39.0 mm -109.62 127.47 66.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.386 -171.582 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.51 134.26 53.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.924 175.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -89.77 -172.72 3.65 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 174.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.1 p -143.31 141.02 30.84 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.024 0.44 . . . . 0.0 111.519 -179.067 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.7 124.41 29.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.675 173.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -85.27 50.56 4.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.215 -176.906 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -157.86 163.71 37.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.72 7.68 46.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.849 0.356 . . . . 0.0 111.388 -175.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.47 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.4 m-20 -74.46 -69.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.352 0.596 . . . . 0.0 109.866 172.764 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HA ' ' OE1' ' B' ' 417' ' ' GLN . 80.3 m-85 -78.23 61.58 2.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.457 -179.804 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.42 -25.55 67.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.559 178.188 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.671 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -68.12 -7.17 27.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.535 -179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.62 -38.96 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.305 176.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -92.07 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.555 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.86 -48.7 20.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.317 0.58 . . . . 0.0 111.516 -170.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 3.5 m-20 -64.58 -35.3 80.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.833 -171.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.414 ' HE1' ' HB3' ' B' ' 429' ' ' LEU . 2.4 m-85 -70.1 -29.0 65.85 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.482 -178.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.6 m-30 -58.6 -27.07 64.31 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -175.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' ' HD2' ' A' ' 84' ' ' ARG . 1.8 tmm_? -62.02 -33.78 74.98 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.552 -172.726 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.5 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 23.3 t -111.92 20.2 17.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.566 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.3 172.14 37.64 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.35 179.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -120.68 -78.46 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.786 0.293 . . . . 0.0 110.355 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.26 18.6 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.038 -178.585 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 18' ' ' ILE . 72.4 m-85 -130.78 134.96 47.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.494 0.188 . . . . 0.0 110.716 -176.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -106.76 114.3 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 0.0 110.533 178.039 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.64 107.31 19.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.607 179.01 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.3 m -101.52 131.63 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.12 0.486 . . . . 0.0 111.74 -176.242 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -144.85 172.65 12.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 p -118.63 157.55 27.18 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 178.567 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.27 13.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.741 179.17 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.614 HG21 HD13 ' A' ' 132' ' ' LEU . 4.8 p -119.0 -42.15 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 175.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -80.62 99.43 8.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.014 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -78.63 -20.98 49.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.035 178.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.54 -39.1 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.144 -178.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 p -67.8 -26.31 66.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.248 0.547 . . . . 0.0 109.547 177.131 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -70.36 -32.3 69.94 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.231 175.012 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.8 m -67.21 -34.17 76.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.399 0.619 . . . . 0.0 110.01 174.871 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.57 -15.75 61.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.421 -0.809 . . . . 0.0 112.266 -175.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 76.9 p -58.17 -42.62 86.43 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.027 0.441 . . . . 0.0 110.499 178.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.64 84.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.03 -45.86 83.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.418 179.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.488 ' O ' HG13 ' A' ' 111' ' ' ILE . 20.7 m-85 -58.84 -48.46 81.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -51.99 -51.3 58.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.489 -177.233 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.16 -33.92 76.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -176.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -66.95 -34.03 76.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.998 0.428 . . . . 0.0 110.474 176.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 107' ' ' PHE . 94.1 mt -64.57 -44.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.347 177.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.7 mp -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.263 0.554 . . . . 0.0 111.038 177.893 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -79.26 -41.55 27.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.991 177.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.638 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.2 m -87.71 -26.72 5.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.577 -178.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.501 ' HG3' HG23 ' A' ' 114' ' ' VAL . 38.6 mtmt -138.49 120.66 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 177.539 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.33 115.27 11.49 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.722 -0.391 . . . . 0.0 112.022 -176.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 56.87 18.81 4.07 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.425 -0.807 . . . . 0.0 113.005 174.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 118' ' ' GLU . 8.2 pt-20 -86.18 -46.73 10.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.595 0.236 . . . . 0.0 111.039 -178.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -135.09 -129.34 0.16 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.772 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 32.5 mmmt -133.36 106.63 7.62 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -176.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 111' ' ' ILE . 38.9 mt -93.61 111.39 52.26 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.934 -173.552 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 121' ' ' ILE . 12.2 Cg_endo -91.01 119.84 0.64 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.347 2.698 . . . . 0.0 112.516 178.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.76 122.88 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.852 177.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.863 HD13 ' HG2' ' A' ' 153' ' ' GLN . 13.9 tp -119.23 123.52 44.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.987 0.422 . . . . 0.0 110.539 178.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.33 117.27 34.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.762 179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.642 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.5 t -105.14 110.12 29.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.614 -176.011 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.26 98.32 2.36 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.498 ' OD1' HG12 ' A' ' 25' ' ' VAL . 7.9 p30 -105.24 -178.83 3.77 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -178.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 64.0 mmtt 63.88 23.7 13.45 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -174.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.429 ' HA ' HD12 ' A' ' 95' ' ' ILE . 37.2 t -63.99 -1.22 1.38 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.567 -172.272 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.81 -18.07 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.429 0.633 . . . . 0.0 110.343 179.201 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.614 HD13 HG21 ' A' ' 96' ' ' THR . 35.1 mt -82.95 79.16 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.107 -177.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -94.62 -11.99 28.29 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.96 0.409 . . . . 0.0 110.568 176.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.935 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 6.0 pt-20 -98.59 -14.73 19.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.409 -177.291 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.935 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 90.0 mtt180 -127.46 16.27 7.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -172.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.606 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 60.8 ttp180 -60.94 113.84 2.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.368 -176.24 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 11.9 mm-40 -100.45 -22.7 14.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.339 -178.139 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 2.5 p -109.29 116.48 54.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 119.869 -0.732 . . . . 0.0 110.656 174.526 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.474 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 19.6 Cg_endo -59.26 118.84 5.79 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.424 2.083 . . . . 0.0 110.607 174.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -67.54 -8.83 9.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.969 -175.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -56.25 -51.02 69.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.586 174.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 12.3 pt-20 -70.83 -27.36 63.81 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.758 0.313 . . . . 0.0 110.649 -178.724 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.28 66.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.654 177.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtp180 -67.53 -33.09 74.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 109.784 177.379 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.2 t -59.62 -51.38 70.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.087 176.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -55.9 -41.64 74.79 Favored 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 174.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.62 75.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 110.469 177.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -69.77 -29.95 67.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.77 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.65 -45.6 93.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.451 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 33.5 m0 -86.1 -21.21 27.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.532 -178.548 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 94.64 28.71 10.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.435 179.09 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.4 m -112.36 -177.18 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.498 0.189 . . . . 0.0 110.634 -178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.863 ' HG2' HD13 ' A' ' 124' ' ' LEU . 14.3 pm0 -106.3 159.52 16.06 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.418 -178.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 46.3 t80 -131.61 124.38 29.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.059 178.498 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.46 128.29 65.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 -177.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.36 137.04 32.7 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.265 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 164' ' ' ASN . 31.9 p -143.87 166.9 23.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.986 0.422 . . . . 0.0 111.573 -175.469 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.3 t -143.95 133.23 23.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 173.133 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.493 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -96.45 -3.24 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.401 175.188 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.61 ' HB2' ' C2 ' ' A' ' 500' ' ' GNP . 22.2 tptm -87.09 -57.45 2.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.611 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.5 p -87.6 -7.79 57.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.669 178.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.437 HH11 ' HA ' ' A' ' 38' ' ' GLU . 85.7 mtm180 60.73 90.0 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.529 178.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -156.03 128.43 7.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.857 -178.663 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.602 ' OD1' ' HE2' ' A' ' 167' ' ' LYS . 32.8 t30 72.46 9.27 5.76 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 124.151 0.907 . . . . 0.0 112.131 168.479 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 33' ' ' GLN . 55.4 t -63.84 -33.45 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 111.82 -173.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -71.11 -25.76 62.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.009 -173.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.602 ' HE2' ' OD1' ' A' ' 164' ' ' ASN . 19.9 ttmm -62.46 -52.4 63.66 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -174.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.501 HG11 HG13 ' A' ' 126' ' ' VAL . 27.0 m -57.91 -33.41 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -174.659 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.21 -56.65 4.52 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.926 178.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -63.55 -33.34 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -173.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.33 -51.18 69.92 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.781 0.324 . . . . 0.0 110.809 176.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 176' ' ' ILE . 39.7 tp -63.29 -41.02 98.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.354 0.597 . . . . 0.0 110.16 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.565 ' SD ' HD12 ' A' ' 64' ' ' ILE . 58.3 mtp -63.7 -33.16 75.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.405 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 177' ' ' ARG . 10.4 mmm-85 -74.75 -34.71 62.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.126 177.89 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.27 -35.96 76.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.847 0.356 . . . . 0.0 110.283 174.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 172' ' ' LEU . 70.4 mt -58.37 -28.23 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.07 178.711 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 174' ' ' ARG . 70.5 mtt180 -61.42 -52.24 65.41 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.3 m -67.82 -36.88 81.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.093 -178.022 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.772 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -63.28 -55.86 21.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.594 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.477 ' HD2' ' HB2' ' A' ' 11' ' ' SER . 33.3 mmtm -73.13 -35.4 66.52 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.428 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtm -77.53 -20.13 54.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.189 178.781 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.3 m 65.12 -174.46 0.18 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.498 177.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -131.21 86.69 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.104 0.478 . . . . 0.0 110.557 -179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.74 77.49 2.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.316 -174.833 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.785 ' HB2' ' HB2' ' B' ' 396' ' ' ALA . 4.3 m -70.66 -40.09 73.19 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 49.74 -95.49 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.876 -1.057 . . . . 0.0 113.201 172.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.401 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 3.0 m -67.93 -45.14 75.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.931 0.396 . . . . 0.0 110.402 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.429 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 53.0 mt-30 -65.76 -29.14 69.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.643 178.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.785 ' HB2' ' HB2' ' B' ' 392' ' ' SER . . . -59.67 -50.88 72.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.696 -179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' B' ' 401' ' ' GLU . . . -64.11 -42.07 98.21 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.799 178.082 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.543 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.2 mm -59.11 -49.21 84.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.442 0.163 . . . . 0.0 111.328 179.019 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 395' ' ' GLN . 87.3 mttt -62.27 -36.0 80.7 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -177.136 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.96 -42.22 94.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.798 0.332 . . . . 0.0 110.345 176.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 397' ' ' GLY . 26.9 mt-10 -70.69 -31.57 68.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.886 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.543 HG13 ' O ' ' B' ' 398' ' ' ILE . 89.2 mt -59.05 -50.69 78.84 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.64 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 40.4 mtm105 -59.78 -36.62 77.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 176.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 38.3 ttm180 -62.64 -45.9 90.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.533 176.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.523 ' HB2' HD23 ' B' ' 436' ' ' LEU . 34.2 mm-40 -70.2 -38.93 75.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.286 -179.042 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 47.0 mt-10 -59.96 -44.28 94.52 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -57.83 -47.1 83.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.995 176.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' B' ' 432' ' ' VAL . 61.0 mt -59.65 -52.21 66.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.871 -178.662 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' ' 48' ' ' ALA . 14.4 tp -64.76 -43.06 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.982 -179.303 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.433 HD21 ' CZ ' ' B' ' 414' ' ' ARG . 13.7 t30 -57.07 -52.38 65.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.333 179.367 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.1 t -63.56 -47.84 79.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.486 -178.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.461 ' O ' HD13 ' B' ' 416' ' ' LEU . 77.8 mt -58.31 -37.83 75.86 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.034 0.445 . . . . 0.0 110.804 177.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -64.11 -48.47 75.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.101 179.11 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.433 ' CZ ' HD21 ' B' ' 410' ' ' ASN . 96.9 mtt180 -73.63 -40.43 63.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.463 -176.3 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.0 -53.63 54.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.37 0.605 . . . . 0.0 110.531 -177.13 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.754 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 10.9 mp -69.07 -26.73 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.076 -175.504 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.473 ' OE1' ' HA ' ' A' ' 75' ' ' TYR . 43.2 mt-30 -68.28 -21.38 64.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 175.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.64 5.25 53.15 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.383 -179.472 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.7 5.7 62.82 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.411 178.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.754 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 47.6 mt -116.72 118.29 58.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.464 ' CB ' ' HG ' ' B' ' 416' ' ' LEU . 19.6 pttp -143.4 156.24 44.61 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.427 174.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.632 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.4 t70 -139.73 157.5 45.65 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.647 -1.242 . . . . 0.0 107.647 179.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -61.71 -29.91 70.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.956 0.407 . . . . 0.0 110.914 -176.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.3 m -66.53 -32.2 73.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.236 178.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.632 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 54.5 mmtt -73.07 -46.5 51.27 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.275 -176.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 429' ' ' LEU . 35.1 mt-10 -62.4 -45.06 94.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.988 -175.167 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.04 -41.31 67.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.985 -179.108 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.534 ' O ' HG12 ' B' ' 432' ' ' VAL . 5.7 mmt180 -64.01 -30.47 71.54 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.975 175.543 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' B' ' 426' ' ' GLU . 9.0 mt -56.25 -52.65 63.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.403 0.44 . . . . 0.0 110.155 174.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.529 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 65.7 m95 -61.55 -44.6 96.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.268 178.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.464 ' O ' HG13 ' B' ' 435' ' ' ILE . 47.0 mt-10 -60.04 -55.05 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.416 -176.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.672 HG21 ' HB2' ' B' ' 408' ' ' LEU . 11.5 p -62.93 -32.14 54.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 121.148 0.499 . . . . 0.0 110.457 -179.553 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.517 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.1 tp60 -54.49 -56.33 19.95 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.398 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -70.94 -28.74 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.807 -179.288 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' B' ' 432' ' ' VAL . 82.3 mt -61.65 -45.52 98.49 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.36 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.792 175.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.4 tm? -57.14 -45.4 83.58 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.833 -179.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 434' ' ' ARG . 12.0 t -75.38 -37.5 60.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 111.134 -177.015 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -67.16 -34.87 78.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.441 0.638 . . . . 0.0 109.713 176.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.518 HD12 ' HB2' ' B' ' 442' ' ' LYS . 38.0 tp -70.33 -32.25 69.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.153 178.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.503 ' HE3' ' CD1' ' B' ' 436' ' ' LEU . 96.4 mttt -59.98 -38.24 81.97 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 109.486 171.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' B' ' 438' ' ' ALA . 5.0 tmt_? -64.06 -39.16 93.47 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 176.548 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.709 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 28.0 mtpp -63.62 -25.19 68.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.815 177.488 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.419 ' HA ' HG21 ' B' ' 398' ' ' ILE . 45.6 tp -67.2 -42.01 84.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.176 0.513 . . . . 0.0 109.705 174.09 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -82.86 -3.15 56.5 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.455 0.645 . . . . 0.0 110.683 175.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.709 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 33.4 tt0 -87.33 -19.13 28.64 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.769 179.84 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.517 -179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.61 ' C2 ' ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.472 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.438 ' OE1' ' HB2' ' A' ' 12' ' ' LEU . 48.2 tp60 67.27 97.21 0.06 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.702 0.763 . . . . 0.0 111.634 178.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 m -139.38 -45.27 0.45 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.067 173.503 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.29 36.09 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.035 178.664 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HB2' ' OE1' ' A' ' 9' ' ' GLN . 40.0 mt -78.77 -26.84 44.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.108 -176.582 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.04 6.7 41.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.154 0.502 . . . . 0.0 111.513 -178.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -123.7 107.07 11.06 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.742 176.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.689 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 26.6 m-70 -111.35 121.96 46.61 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -171.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.716 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 0.6 OUTLIER -104.51 122.3 45.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.825 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -123.29 131.12 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.125 0.488 . . . . 0.0 110.836 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.39 123.19 70.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -178.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.469 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 45.6 mtt -91.05 137.85 32.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.821 0.343 . . . . 0.0 110.549 176.118 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.9 m -120.7 157.12 23.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.229 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.57 -179.41 43.33 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t -93.2 68.29 4.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.257 0.551 . . . . 0.0 109.955 -177.211 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . 78.67 -61.68 3.96 Favored Glycine 0 CA--C 1.518 0.266 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.877 177.905 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.548 ' HA2' ' O1B' ' A' ' 500' ' ' GNP . . . -96.72 -94.1 1.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.586 -176.777 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 24' ' ' GLY . 11.6 m 56.49 -38.72 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 126.22 1.808 . . . . 0.0 114.262 -177.158 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . 127.17 10.71 3.68 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.248 -0.501 . . . . 0.0 111.854 -176.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -65.86 -15.89 63.34 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -174.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 32' ' ' LEU . 61.3 m -96.1 -25.3 15.93 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.778 0.323 . . . . 0.0 111.339 -179.814 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -52.33 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.674 0.273 . . . . 0.0 111.716 -175.908 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.55 -40.39 94.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.054 -173.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' HG21 ' A' ' 66' ' ' ILE . 20.7 p -68.58 -43.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.629 0.252 . . . . 0.0 110.977 -178.19 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.64 -43.49 98.76 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.879 176.736 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.5 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.302 178.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 89.6 t80 -64.18 -25.89 68.28 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.253 -178.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.59 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 66.2 mtm -92.09 -48.77 6.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -176.899 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -83.61 -14.43 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 64.73 31.8 11.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.262 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.86 177.55 10.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.636 176.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -80.53 135.92 36.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.883 -176.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 p -86.41 132.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.37 178.597 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.8 -70.02 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.031 0.443 . . . . 0.0 110.165 -177.524 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -129.33 107.89 9.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.809 178.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -154.45 90.93 1.36 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.041 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 47.3 mt-10 -87.6 -51.78 0.41 Allowed Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.573 -0.739 . . . . 0.0 112.145 -177.382 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 78.5 Cg_exo -52.0 112.5 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.35 2.033 . . . . 0.0 112.789 -179.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -152.84 47.83 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.75 175.611 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 78' ' ' ILE . 35.6 ttpt -87.02 -56.7 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.563 -179.156 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.5 16.15 9.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.825 0.821 . . . . 0.0 108.798 174.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -82.21 79.73 8.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.662 -175.115 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -94.69 159.74 14.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.674 178.114 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -143.26 169.58 17.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.991 0.424 . . . . 0.0 111.709 -175.8 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -123.37 130.89 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.298 -173.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.59 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 52.8 tptt -125.29 122.74 37.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.849 0.357 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -96.54 122.11 39.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 176.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.5 m -129.07 144.62 37.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.87 174.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.37 119.94 60.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-O 121.483 0.658 . . . . 0.0 110.279 178.32 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' A' ' 170' ' ' PHE . 91.0 mt -103.86 101.97 11.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.163 -176.523 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 69.08 -1.78 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.5 171.023 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.48 -24.78 1.36 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.241 -0.981 . . . . 0.0 112.948 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -103.12 135.39 44.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 117.352 0.576 . . . . 0.0 110.736 -179.785 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.89 109.23 16.07 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.129 178.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.82 145.71 14.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.375 -177.499 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -123.38 129.01 50.68 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.264 0.554 . . . . 0.0 110.81 -175.629 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.8 tt -110.94 133.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.512 -177.337 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -103.0 118.19 36.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.342 -175.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.491 HG21 ' HB ' ' A' ' 31' ' ' THR . 52.7 mt -109.56 123.0 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.185 0.517 . . . . 0.0 111.698 -171.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.2 tp -121.33 117.1 26.13 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.504 176.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -97.49 108.34 21.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.196 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 78' ' ' ILE . 11.4 p -66.66 135.16 53.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.339 -177.658 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.84 125.05 24.14 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.794 177.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.697 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -81.82 76.14 2.23 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.409 179.75 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.578 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -165.11 166.15 19.33 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.367 0.267 . . . . 0.0 110.346 178.657 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -90.93 -14.49 31.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.688 0.28 . . . . 0.0 110.995 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.3 m-20 -59.69 -71.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.519 0.676 . . . . 0.0 111.401 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.578 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.7 m-85 -85.59 64.81 8.84 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.655 -176.505 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.85 -18.39 62.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.357 176.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.85 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -64.05 -20.51 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.88 175.624 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.723 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 mt -92.51 -36.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -89.61 -65.46 1.02 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -177.407 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.61 -47.18 23.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.307 0.575 . . . . 0.0 111.55 -174.055 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.85 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.0 m-20 -77.25 -17.25 58.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -169.673 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.723 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -80.35 -17.12 52.89 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.91 177.063 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 17.3 m-30 -70.65 72.81 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.493 -178.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.49 ' HG3' ' OE1' ' B' ' 426' ' ' GLU . 16.1 mmm180 -148.69 -71.81 0.2 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.77 177.327 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 4.8 m -78.77 21.74 0.4 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.855 0.36 . . . . 0.0 111.907 -176.419 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.39 144.6 15.87 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 176.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.716 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 43.8 mm-40 -88.56 -70.32 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.011 0.434 . . . . 0.0 110.317 -177.155 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.9 150.3 16.88 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.662 -173.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -124.01 135.3 53.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.25 0.548 . . . . 0.0 110.964 -178.224 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.646 HD23 ' HB3' ' A' ' 124' ' ' LEU . 62.3 mt -105.52 115.28 29.98 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.551 -178.743 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 125' ' ' VAL . 34.8 mt -89.42 106.5 18.49 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 176.78 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' A' ' 126' ' ' VAL . 15.7 m -116.9 137.73 49.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.056 0.455 . . . . 0.0 111.65 -176.005 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.467 ' HA ' ' HB ' ' A' ' 25' ' ' VAL . 48.9 p90 -156.18 159.14 38.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.729 178.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.748 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 46.4 t -86.76 144.06 27.24 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 177.271 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.561 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -72.25 7.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.934 0.397 . . . . 0.0 111.452 -178.775 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 135' ' ' ARG . 17.4 p -98.26 -22.59 16.06 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.273 0.559 . . . . 0.0 110.055 171.268 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.748 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 23.4 mm-40 -96.77 94.38 7.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.429 -174.756 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -79.0 -18.82 53.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.074 0.464 . . . . 0.0 109.993 -179.068 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -64.23 -52.22 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.445 179.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.83 -24.5 64.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 51.0 t80 -64.45 -43.48 94.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.596 174.247 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -71.48 -28.15 63.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.372 0.606 . . . . 0.0 109.981 177.243 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.53 -13.89 61.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.203 -179.176 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.451 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 40.6 p -55.1 -35.52 64.7 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.812 0.339 . . . . 0.0 111.597 -179.031 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.89 -47.11 86.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.306 176.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -63.02 -41.1 99.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.383 178.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 18.9 m-85 -57.01 -51.12 70.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.941 179.6 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.432 ' O ' HD13 ' A' ' 112' ' ' LEU . 4.1 ptm180 -68.11 -40.25 82.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.883 -177.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.61 -31.05 69.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.659 0.266 . . . . 0.0 111.23 -177.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.1 -32.96 71.26 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.278 0.561 . . . . 0.0 109.669 177.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 107' ' ' PHE . 91.7 mt -68.38 -46.76 80.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.455 175.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 108' ' ' ARG . 11.0 mp -64.12 -16.45 61.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.806 179.073 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -74.16 -41.82 60.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.855 0.36 . . . . 0.0 110.636 176.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.32 -23.39 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.939 0.4 . . . . 0.0 111.456 -176.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -124.33 105.97 9.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.203 178.775 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.33 11.52 1.32 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 178.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.25 24.6 4.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.596 0.712 . . . . 0.0 109.835 -176.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -175.63 3.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.135 -176.265 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -65.95 -75.82 0.09 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.239 0.543 . . . . 0.0 109.873 174.481 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.5 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 65.1 mmtt -151.37 131.42 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.744 178.278 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -92.48 107.77 26.29 Favored Pre-proline 0 C--N 1.321 -0.651 0 O-C-N 123.287 0.367 . . . . 0.0 110.362 -179.189 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 31.9 Cg_endo -92.32 126.56 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 123.271 2.647 . . . . 0.0 112.47 178.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -118.67 147.24 44.0 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.239 178.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.646 ' HB3' HD23 ' A' ' 90' ' ' LEU . 2.3 tp -135.04 119.13 17.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.072 0.463 . . . . 0.0 109.939 176.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.566 HG22 HD12 ' A' ' 91' ' ' LEU . 17.8 t -88.62 117.07 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.046 -178.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' A' ' 92' ' ' VAL . 48.0 t -115.28 123.69 71.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.947 -174.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.17 113.35 4.03 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 176.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.546 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.6 m120 -91.82 154.68 18.74 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.775 0.288 . . . . 0.0 110.81 -176.352 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.8 OUTLIER 64.73 36.15 8.33 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.547 174.12 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 42.3 p -68.92 11.08 0.22 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 120.99 0.424 . . . . 0.0 112.018 -176.434 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 129' ' ' LYS . 39.2 t70 -79.82 -12.69 59.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.705 0.764 . . . . 0.0 109.465 174.508 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 52.1 mt -83.03 52.15 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.94 -179.64 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -62.96 -28.27 69.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.908 0.385 . . . . 0.0 111.144 -177.617 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.42 -6.54 46.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -178.815 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.5 mtp180 -121.52 2.07 10.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.491 -174.737 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HD2' HG23 ' A' ' 140' ' ' VAL . 34.8 ttp180 -61.7 114.32 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.305 0.574 . . . . 0.0 111.267 -176.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.42 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 71.8 mm-40 -101.09 -20.25 15.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.664 -179.433 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.5 t -90.94 110.16 40.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.677 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 27.0 Cg_exo -60.47 103.24 0.21 Allowed 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 121.347 1.364 . . . . 0.0 109.76 174.412 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.547 HG23 ' HD2' ' A' ' 136' ' ' ARG . 2.3 t -56.83 -25.56 22.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.424 -172.698 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.18 -43.36 82.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.441 178.04 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.677 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 18.1 pt-20 -74.96 -26.14 59.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.232 179.495 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -70.06 -39.94 75.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.225 0.536 . . . . 0.0 110.508 176.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -70.19 -32.13 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.319 177.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.1 t -75.78 -29.48 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.925 0.869 . . . . 0.0 108.792 -179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 13.8 tppt? -65.35 -50.51 65.3 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 114.365 -1.288 . . . . 0.0 110.056 175.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -64.07 -39.8 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.651 176.828 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -54.53 -46.74 73.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.717 177.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.91 -35.21 79.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.755 -177.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.558 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 43.0 m0 -81.24 -19.8 42.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.282 -177.39 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.22 29.45 19.8 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.91 -178.736 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.49 HG23 ' HB1' ' A' ' 147' ' ' ALA . 15.1 m -122.67 -179.41 2.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.607 0.242 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.425 ' CG ' HD13 ' A' ' 124' ' ' LEU . 5.2 pt20 -104.51 147.1 27.98 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -117.28 122.52 44.16 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 38.3 t -127.14 130.38 71.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.433 -177.502 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -87.58 132.76 33.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 174.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.1 p -115.6 128.16 55.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.31 0.576 . . . . 0.0 111.694 -175.339 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.623 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 5.2 m -103.76 92.03 4.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.447 177.754 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.616 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -72.65 5.7 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.293 -174.785 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -87.76 -12.33 45.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.45 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.0 t -147.36 12.33 1.05 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.571 -179.355 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 60.0 27.38 16.78 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.745 -178.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -70.28 114.33 8.31 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.329 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 71.81 0.29 3.46 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.125 0.89 . . . . 0.0 111.869 179.225 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 79.9 t -68.77 -46.42 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.452 -178.45 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.59 -35.3 67.88 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.213 179.228 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -56.13 -50.03 72.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.129 -177.583 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.6 m -59.05 -27.57 36.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.113 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -74.7 -45.92 41.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.573 0.225 . . . . 0.0 110.589 176.724 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.569 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 49.3 m-85 -68.2 -45.09 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.207 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.74 -50.65 69.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.992 178.486 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.5 tp -68.05 -38.88 82.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.242 -178.426 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.569 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 15.7 ptp -67.67 -29.94 69.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.264 -179.153 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 28.3 mmt180 -63.41 -47.74 80.71 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 173.889 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.6 mm-40 -52.31 -42.67 63.99 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.503 175.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.474 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.9 mt -55.93 -37.25 47.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 179.692 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.689 ' HG3' ' HE1' ' A' ' 15' ' ' HIS . 45.3 mtp85 -71.96 -52.47 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.467 179.46 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.1 m -61.22 -35.06 76.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.025 -177.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.4 mptt -62.68 -50.11 72.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.156 176.223 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 73.3 mmtt -67.22 -25.21 65.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.876 0.369 . . . . 0.0 111.011 -178.724 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 65.5 mtt -85.52 -2.87 58.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 41.7 m 62.17 21.65 12.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 123.597 0.561 . . . . 0.0 111.69 178.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -82.61 104.99 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.418 0.627 . . . . 0.0 110.369 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -105.73 26.17 9.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.995 178.756 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.981 -178.368 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.68 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 45.2 m -63.51 -36.58 84.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.709 0.254 . . . . 0.0 111.1 178.338 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 59.71 -93.47 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.576 0.547 . . . . 0.0 110.987 178.564 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.496 ' O ' HG12 ' B' ' 398' ' ' ILE . 23.0 m -83.57 -26.91 29.65 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.248 0.547 . . . . 0.0 109.639 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.68 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 70.1 mt-30 -64.94 -25.7 67.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.266 176.369 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.5 -51.66 68.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.756 -178.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -37.11 94.12 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.71 176.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.579 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -61.74 -48.15 90.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.48 0.181 . . . . 0.0 110.677 178.113 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -57.39 -43.73 83.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.085 -178.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.75 -36.35 82.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.144 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 24.9 mm-40 -80.03 -34.1 38.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.654 HD11 ' HB2' ' B' ' 443' ' ' LEU . 87.1 mt -57.74 -52.4 58.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 174.406 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -66.89 -29.09 68.89 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.651 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 58.7 ttp85 -62.99 -47.78 81.64 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.616 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.3 mm-40 -69.43 -37.77 77.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.251 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.452 ' HG2' HD21 ' B' ' 436' ' ' LEU . 40.8 mt-10 -61.35 -42.12 98.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.385 176.238 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -64.1 -47.76 78.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.788 176.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 69.7 mt -59.49 -50.86 72.3 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 110.561 -179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.505 HD13 HG13 ' B' ' 432' ' ' VAL . 56.2 tp -64.41 -34.53 78.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.616 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' B' ' 413' ' ' HIS . 64.6 t30 -67.7 -33.96 75.93 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.654 178.047 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 47.4 t -59.08 -53.7 55.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.765 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.454 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -60.44 -33.44 72.55 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.225 0.536 . . . . 0.0 110.683 175.456 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' B' ' 417' ' ' GLN . 18.2 m170 -69.22 -32.78 72.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.923 -177.878 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -77.39 -53.23 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -176.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.11 -41.28 92.25 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -175.682 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 81' ' ' ASN . 9.3 mp -66.46 -25.51 66.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.517 -174.508 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 76.9 mt-30 -58.82 -21.6 56.76 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.672 0.273 . . . . 0.0 111.614 -178.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -79.38 -7.19 88.65 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.584 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 92.63 40.77 4.92 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.19 -178.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 63.1 mt -114.04 121.9 67.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 -179.01 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -120.57 144.07 48.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.654 0.74 . . . . 0.0 111.522 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.662 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.5 t70 -148.78 152.64 36.89 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 174.275 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 9.5 mp -62.26 -26.55 68.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 118.82 0.736 . . . . 0.0 110.091 176.401 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 9.9 m -66.44 -36.12 82.0 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.518 -179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.744 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -71.39 -37.21 71.57 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 119.983 -0.687 . . . . 0.0 111.473 -174.033 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.744 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.7 pt-20 -73.57 -38.51 65.17 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.311 -177.198 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' B' ' 423' ' ' LEU . 49.6 mt-10 -61.17 -51.2 70.05 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 175.631 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.617 ' O ' HG12 ' B' ' 432' ' ' VAL . 11.6 mmt180 -65.06 -42.53 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.637 -179.109 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.486 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 7.1 mt -54.85 -57.32 12.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 123.378 0.424 . . . . 0.0 111.85 -175.446 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.645 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 71.9 m95 -64.92 -45.05 87.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.961 -175.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' B' ' 435' ' ' ILE . 7.5 mm-40 -60.54 -53.97 51.06 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -177.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.674 ' HA ' HD12 ' B' ' 435' ' ' ILE . 13.8 p -63.63 -34.2 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.008 0.432 . . . . 0.0 110.396 -179.69 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.7 tp60 -56.31 -46.6 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.602 174.314 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.645 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 13.9 mtt180 -70.73 -33.4 70.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.128 178.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 432' ' ' VAL . 53.9 mt -65.87 -43.46 93.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.034 176.637 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 35.0 tp -58.22 -45.57 87.45 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 174.876 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.575 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -69.19 -29.28 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.386 -177.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -65.87 -41.92 91.03 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 172.451 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.648 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.9 mm? -61.63 -40.35 94.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.322 176.184 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 73.1 mmtt -60.22 -41.61 93.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 176.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.06 -43.33 92.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.246 177.505 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.5 -35.59 72.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 178.186 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.654 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.7 tp -65.74 -40.06 91.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.484 177.489 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -82.34 -6.22 59.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.686 -179.893 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.88 -36.19 11.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.977 -177.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.582 -179.672 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.616 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.836 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -96.34 83.54 3.58 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 p -99.85 -62.15 1.28 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.679 -176.044 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -131.93 26.66 4.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 110.375 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.3 mt -72.13 -15.55 61.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.53 -175.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HA ' HG22 ' A' ' 62' ' ' VAL . . . -95.51 0.42 53.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.095 0.474 . . . . 0.0 111.468 -179.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -121.03 109.87 15.56 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-O 121.302 0.572 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -118.38 122.05 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.045 -176.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' A' ' 65' ' ' ASP . 29.6 mmtp -115.2 113.27 23.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 179.265 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 m -116.28 100.49 10.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.646 0.736 . . . . 0.0 110.004 175.244 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -89.68 126.43 42.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.794 -175.667 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.471 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 29.9 mtt -83.95 115.88 22.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.68 177.28 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -94.82 138.31 21.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.038 179.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -163.84 -174.02 33.19 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -178.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.611 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 28.6 m -119.72 -80.6 0.62 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.108 0.454 . . . . 0.0 111.494 -178.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.95 -37.12 0.45 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.163 -175.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.55 -132.35 7.71 Favored Glycine 0 N--CA 1.437 -1.266 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 -177.57 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t 62.71 -56.99 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.073 0.949 . . . . 0.0 111.556 -172.068 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.0 -56.12 0.69 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -175.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' HB ' ' A' ' 92' ' ' VAL . 29.6 mmmt 69.46 -52.66 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.192 1.397 . . . . 0.0 111.784 173.494 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 m -82.45 -19.51 38.78 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.931 -170.575 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.57 -36.37 80.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.033 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.494 HD11 ' ND2' ' A' ' 128' ' ' ASN . 5.6 mp -74.6 -46.42 38.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -177.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.626 HG21 HG21 ' A' ' 66' ' ' ILE . 26.6 p -70.91 -29.83 66.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.48 -176.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.4 tp -60.16 -38.71 84.01 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 175.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.907 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -64.86 -33.61 76.42 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.299 0.571 . . . . 0.0 110.73 -179.423 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -72.65 -22.98 60.85 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.133 -176.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.3 ttp -105.05 -46.2 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.92 -177.066 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.561 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 60.6 m-85 -101.11 -35.55 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.259 -178.419 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t0 72.6 25.39 2.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.007 0.817 . . . . 0.0 110.534 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' HG2' ' HB3' ' A' ' 36' ' ' TYR . 11.9 pt-20 -121.7 151.9 39.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 174.231 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.907 ' HA ' HE22 ' A' ' 33' ' ' GLN . 27.5 t80 -75.54 145.94 40.89 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -176.225 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.82 116.18 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.477 0.655 . . . . 0.0 112.155 -173.693 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -103.9 -42.44 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.537 173.113 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -158.43 131.01 7.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.268 -179.461 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -162.54 101.74 1.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.805 0.336 . . . . 0.0 110.161 178.78 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -81.04 -52.25 0.86 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.548 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.05 114.24 1.06 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.528 2.152 . . . . 0.0 112.52 178.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.4 t -163.16 -13.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.416 -174.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -85.57 -56.34 3.55 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 21.91 7.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.095 0.474 . . . . 0.0 110.941 -178.604 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.63 97.19 6.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -173.496 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . 96.0 p -91.38 162.88 14.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.482 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -137.01 134.46 36.63 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.031 0.443 . . . . 0.0 110.785 -179.578 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 12.7 ptm180 -112.88 118.97 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.206 -176.16 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 64' ' ' ILE . 48.0 tptt -107.57 142.85 36.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -97.02 116.31 28.99 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.129 176.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.89 146.19 28.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.625 179.908 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.21 133.75 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.112 0.482 . . . . 0.0 110.986 176.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.7 mt -124.39 97.48 5.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 51.3 81.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.223 0.952 . . . . 0.0 111.521 -175.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.87 -129.54 1.89 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 119.925 -1.131 . . . . 0.0 113.645 179.183 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 62' ' ' VAL . 8.8 pt-20 -113.33 156.2 23.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -174.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.73 109.18 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.721 179.221 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLU . 90.8 t -106.77 139.47 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.188 -179.12 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -113.16 124.31 52.25 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.77 178.566 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.623 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.9 tt -104.73 112.19 37.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.198 179.634 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 3.4 t70 -106.97 114.38 28.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.452 -177.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.626 HG21 HG21 ' A' ' 31' ' ' THR . 76.7 mt -108.02 121.06 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.804 -170.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 13.1 mt -98.0 105.22 17.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.306 172.263 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -72.74 100.28 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 174.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 m -88.47 133.36 34.15 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -166.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.97 117.53 20.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.163 176.434 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.611 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -79.87 54.65 4.45 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.312 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -106.26 173.43 6.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -177.819 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -105.49 7.35 32.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.676 0.751 . . . . 0.0 109.001 175.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.56 ' HB2' HD22 ' A' ' 72' ' ' LEU . 4.8 m-20 -82.8 -83.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.892 -178.894 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.635 ' HA ' ' HG3' ' B' ' 417' ' ' GLN . 81.4 m-85 -80.03 81.94 6.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.315 -177.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.46 -20.44 66.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.194 0.521 . . . . 0.0 111.249 178.086 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -68.82 -23.1 64.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.313 179.682 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.66 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 54.7 mt -88.83 -39.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.91 0.386 . . . . 0.0 110.803 -176.775 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -91.6 -64.65 1.09 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.083 -177.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.22 -56.84 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.607 -171.874 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.647 HD22 ' HA ' ' A' ' 77' ' ' ALA . 88.9 m-20 -69.05 -40.47 78.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.414 -171.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.66 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 2.5 m-85 -64.19 -27.83 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -177.29 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.658 ' HB2' HG21 ' A' ' 114' ' ' VAL . 14.4 m-30 -62.66 -27.57 69.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.13 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.575 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 64.7 ttt180 -60.14 -55.7 30.68 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -172.674 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.619 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 18.6 m -82.41 15.7 2.38 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.868 0.366 . . . . 0.0 111.539 178.157 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.21 153.07 23.22 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 176.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -98.8 -76.34 0.54 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.817 0.309 . . . . 0.0 110.602 -176.387 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.675 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -106.91 155.76 16.28 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -178.102 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -130.65 129.61 42.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.341 0.591 . . . . 0.0 111.236 -176.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.71 107.1 19.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.092 179.485 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 HD23 ' A' ' 123' ' ' LEU . 74.4 mt -81.87 105.3 12.89 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.802 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.574 HG22 ' HB ' ' A' ' 126' ' ' VAL . 47.9 t -120.86 113.32 39.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.467 -173.09 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' ' 100' ' ' SER . 35.4 p90 -127.89 155.54 44.0 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 124.041 0.838 . . . . 0.0 109.191 179.179 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.437 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 23.1 t -84.64 139.97 31.68 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.821 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.1 OUTLIER -71.57 1.28 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.004 0.43 . . . . 0.0 111.316 -177.725 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.531 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 14.8 p -107.49 10.25 29.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.361 0.6 . . . . 0.0 110.234 172.874 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 71.5 mt-10 -122.86 93.62 4.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.829 176.07 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -69.89 -28.33 65.54 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.661 -0.416 . . . . 0.0 109.934 178.834 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.91 -49.72 76.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.221 0.534 . . . . 0.0 110.191 176.47 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB2' ' HB2' ' A' ' 93' ' ' PHE . 14.9 m -62.75 -31.41 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.604 178.698 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 143' ' ' ALA . 46.5 t80 -65.36 -51.75 58.32 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.128 177.819 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.5 m -65.81 -28.88 69.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.208 0.528 . . . . 0.0 110.763 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.63 -15.07 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.34 -178.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 43.2 p -58.93 -36.67 75.13 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.757 0.313 . . . . 0.0 111.328 -178.855 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.32 94.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.661 177.317 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 -42.17 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.794 179.484 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.536 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.0 m-85 -57.13 -49.46 75.86 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.419 ' HE ' ' HG3' ' A' ' 109' ' ' GLU . 43.0 ttp180 -53.24 -55.57 23.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.913 178.736 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' HG3' ' HE ' ' A' ' 108' ' ' ARG . 36.2 mt-10 -66.22 -33.04 74.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.116 -175.783 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.99 -32.53 73.82 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.356 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.604 HG22 HD13 ' A' ' 121' ' ' ILE . 92.9 mt -66.34 -45.33 89.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.66 176.179 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.48 -10.57 59.95 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 111.116 179.618 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -78.06 -34.1 50.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.96 0.41 . . . . 0.0 110.407 177.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.658 HG21 ' HB2' ' A' ' 83' ' ' PHE . 32.6 m -101.51 -18.82 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.567 -178.222 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 45.5 mtpt -111.47 -126.84 0.28 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 177.744 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.05 1.15 2.66 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.363 0.665 . . . . 0.0 112.24 179.094 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -107.4 -0.42 22.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.272 0.558 . . . . 0.0 110.001 177.527 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -107.54 -165.21 1.04 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.18 -176.715 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.532 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 0.3 OUTLIER -70.83 -82.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -174.197 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.532 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.1 mptt -141.67 133.48 27.25 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 120.92 0.39 . . . . 0.0 110.85 -177.159 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.604 HD13 HG22 ' A' ' 111' ' ' ILE . 85.0 mt -96.28 107.96 38.69 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.346 176.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.675 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.7 Cg_endo -84.01 127.27 4.05 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.217 2.611 . . . . 0.0 111.801 177.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.566 HD23 HD11 ' A' ' 91' ' ' LEU . 6.4 mp -116.15 133.63 55.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 179.615 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.835 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.8 tp -128.02 118.9 24.35 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 173.613 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.6 t -89.53 122.15 40.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.703 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.574 ' HB ' HG22 ' A' ' 92' ' ' VAL . 61.1 t -112.13 121.79 65.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.018 -176.058 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.9 96.04 1.94 Allowed Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 175.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.494 ' ND2' HD11 ' A' ' 30' ' ' LEU . 18.6 t-20 -82.94 148.89 27.37 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 -173.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.704 ' HG3' ' HG ' ' A' ' 132' ' ' LEU . 19.4 tptm 73.06 26.79 2.13 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 123.997 0.811 . . . . 0.0 110.414 174.304 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 156' ' ' GLU . 33.1 t -64.18 -10.14 21.24 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.896 -178.446 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.594 ' HB3' ' HB3' ' A' ' 158' ' ' SER . 1.5 p30 -74.07 -2.57 24.96 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.458 178.761 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.704 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 95.5 mt -73.43 -55.17 6.72 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 171.044 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 64.49 -72.73 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.986 0.804 . . . . 0.0 112.147 177.595 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.894 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.9 pt-20 -62.11 -30.2 70.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.041 0.448 . . . . 0.0 111.885 -174.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.894 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 71.1 mtt180 -107.0 14.68 26.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -173.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 31.0 ttp180 -59.27 117.28 4.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.061 0.458 . . . . 0.0 110.436 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.531 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 34.2 tt0 -78.9 -37.26 40.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.992 -175.045 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.0 p -108.0 117.73 54.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.637 -177.176 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 124.5 15.69 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.053 1.835 . . . . 0.0 110.572 174.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.658 HG12 ' HG3' ' A' ' 144' ' ' ARG . 11.2 t -55.59 -22.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.286 -176.726 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -56.51 -46.3 80.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.496 -174.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.85 -21.69 60.02 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.836 -179.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . . . -78.28 -41.84 32.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.052 0.453 . . . . 0.0 110.75 178.174 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.658 ' HG3' HG12 ' A' ' 140' ' ' VAL . 56.6 mtp180 -62.71 -38.71 91.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.499 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 30.4 t -58.03 -50.49 73.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.703 178.446 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 66.1 mmtt -63.27 -36.38 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.314 -176.063 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.21 87.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.399 175.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -71.31 -37.61 71.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.634 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.04 -34.2 75.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.116 -179.163 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -88.95 -20.42 24.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.828 -179.267 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.36 29.4 19.62 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.945 -178.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.3 -175.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.769 0.319 . . . . 0.0 110.794 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.835 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -111.84 159.43 18.33 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.871 176.737 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.431 ' CE2' HG13 ' A' ' 140' ' ' VAL . 88.4 t80 -133.7 114.98 14.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.965 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 41.5 t -126.5 127.79 70.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.879 -179.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 27.9 mt-10 -87.55 145.77 26.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.979 0.418 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.5 p -119.8 134.38 55.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.393 -176.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' A' ' 131' ' ' ASP . 20.2 m -118.9 94.34 4.41 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.324 175.081 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.505 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -70.23 -19.42 63.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.66 -174.378 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -68.89 -27.54 65.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.147 0.499 . . . . 0.0 110.307 178.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 12.0 p -114.81 5.51 15.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.7 mtm180 57.28 28.95 15.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.24 -176.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -84.48 119.53 25.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.632 -177.139 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 69.24 7.02 5.99 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.113 -0.949 . . . . 0.0 112.445 176.608 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 80.8 t -62.17 -51.22 75.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.684 0.278 . . . . 0.0 110.676 -178.585 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -77.04 -24.78 52.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.826 178.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -59.56 -51.8 68.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.37 -174.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.1 m -57.87 -26.74 29.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.152 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.49 -55.4 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.86 177.249 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.4 m-85 -64.07 -39.92 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.192 -176.218 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.5 -52.31 64.09 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.32 0.387 . . . . 0.0 111.778 -179.173 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.2 tp -72.01 -38.3 69.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.134 0.492 . . . . 0.0 110.251 -178.565 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.623 ' SD ' HD12 ' A' ' 64' ' ' ILE . 38.9 mtp -62.57 -29.96 70.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.599 -179.442 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 34.4 mmt180 -63.64 -56.31 16.76 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 172.371 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.34 -37.04 69.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.118 -175.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 172' ' ' LEU . 77.7 mt -55.83 -32.6 32.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.772 -176.709 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -59.98 -39.58 86.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.432 -176.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 26.9 m -66.11 -30.35 70.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.854 -178.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' A' ' 176' ' ' ILE . 3.0 mptp? -69.08 -42.7 75.85 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 176.45 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -69.73 -35.46 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.801 -177.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 68.1 mtt -70.93 -36.96 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.327 176.675 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 16.0 m 64.61 -70.74 0.08 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.104 0.877 . . . . 0.0 111.181 -178.317 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -73.7 98.74 2.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.318 0.58 . . . . 0.0 109.937 178.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -92.99 -1.08 57.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.038 178.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.006 179.205 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.3 p -59.78 -30.95 69.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.844 0.354 . . . . 0.0 111.879 -175.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -59.33 -46.98 87.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.066 0.46 . . . . 0.0 110.586 178.471 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.462 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.8 m -81.33 -36.81 29.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.095 -179.361 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -56.75 -35.28 68.45 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.518 0.199 . . . . 0.0 111.096 178.807 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -57.58 -47.72 81.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.567 175.226 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.97 -36.8 73.59 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.987 -0.625 . . . . 0.0 111.994 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.531 ' O ' HG13 ' B' ' 402' ' ' ILE . 21.7 mm -57.53 -46.65 86.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.408 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 98.1 mttt -61.34 -39.23 89.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.46 -179.674 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 47.7 mt-10 -59.92 -42.66 94.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.282 0.563 . . . . 0.0 109.894 176.568 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.588 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 7.6 tp10 -68.59 -39.15 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.216 178.594 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 398' ' ' ILE . 86.7 mt -56.69 -51.37 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.319 178.285 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.555 ' HD2' ' OE2' ' B' ' 406' ' ' GLU . 30.2 mmm180 -60.53 -33.3 72.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.253 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.588 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 46.1 ttt180 -65.57 -51.82 56.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.368 177.049 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.444 ' HB2' HD23 ' B' ' 436' ' ' LEU . 13.1 mm100 -70.39 -28.01 64.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -177.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.555 ' OE2' ' HD2' ' B' ' 403' ' ' ARG . 35.9 mt-10 -60.13 -51.37 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.027 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -67.93 -38.48 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.971 -179.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 36.4 mt -64.37 -50.81 66.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.822 -179.627 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.619 HD13 HG13 ' B' ' 432' ' ' VAL . 48.9 tp -64.6 -34.53 78.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.883 0.373 . . . . 0.0 110.218 177.108 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.1 -41.34 92.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.982 176.378 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.5 t -59.78 -54.44 46.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.1 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.502 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.5 mm? -58.37 -33.49 69.64 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 111.473 178.604 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.511 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.4 m-70 -67.52 -35.42 79.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.002 177.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -79.04 -51.8 9.09 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 176.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -59.21 -54.55 45.68 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -173.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.839 HD22 HG13 ' B' ' 420' ' ' ILE . 26.8 mt -68.81 -25.45 64.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.016 0.436 . . . . 0.0 111.119 -177.452 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.635 ' HG3' ' HA ' ' A' ' 75' ' ' TYR . 6.3 tt0 -61.43 -34.73 75.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.013 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -89.13 -41.48 5.85 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.273 179.169 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 174.25 122.14 0.66 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.494 -179.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.839 HG13 HD22 ' B' ' 416' ' ' LEU . 1.2 mp -68.06 128.38 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 123.048 0.539 . . . . 0.0 110.889 179.293 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -99.39 -23.24 15.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.297 0.57 . . . . 0.0 111.161 178.479 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.711 ' HB2' ' HG2' ' B' ' 425' ' ' LYS . 7.8 m-20 -147.64 141.56 25.85 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.613 -175.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.528 ' HA ' ' OE2' ' B' ' 426' ' ' GLU . 2.5 pt? -60.23 -27.87 67.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.045 0.45 . . . . 0.0 110.602 171.917 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.422 ' HA ' ' OE1' ' B' ' 427' ' ' GLU . 46.2 m -61.93 -31.36 71.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.08 178.464 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.711 ' HG2' ' HB2' ' B' ' 422' ' ' ASP . 71.9 mmtt -61.71 -42.77 99.39 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.351 0.596 . . . . 0.0 109.79 179.475 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.528 ' OE2' ' HA ' ' B' ' 423' ' ' LEU . 26.6 mt-10 -63.95 -45.25 90.01 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.791 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.422 ' OE1' ' HA ' ' B' ' 424' ' ' SER . 33.6 mt-10 -60.51 -46.18 91.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.975 176.296 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.567 ' O ' HG12 ' B' ' 432' ' ' VAL . 1.0 OUTLIER -64.06 -33.51 75.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.269 178.758 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.502 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.4 OUTLIER -55.11 -51.38 66.59 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.979 0.419 . . . . 0.0 110.088 178.184 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.786 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 21.2 m95 -66.7 -49.23 66.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.157 177.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' B' ' 434' ' ' ARG . 6.9 tp10 -59.02 -53.2 61.1 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.614 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.648 ' HA ' HD12 ' B' ' 435' ' ' ILE . 10.4 p -62.14 -34.48 63.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.724 0.297 . . . . 0.0 110.258 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.547 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 20.6 tp60 -57.5 -51.8 67.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.546 173.741 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.786 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 1.5 mpp_? -58.72 -39.82 81.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.864 178.013 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' B' ' 432' ' ' VAL . 41.1 mt -65.81 -46.53 88.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.016 179.167 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.3 tm? -57.7 -43.81 85.42 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.681 0.276 . . . . 0.0 110.958 179.358 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.424 HG23 ' HD2' ' A' ' 52' ' ' ARG . 10.2 t -74.86 -39.2 61.69 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.226 -175.888 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.409 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -66.3 -34.94 79.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.395 0.617 . . . . 0.0 109.846 176.47 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 402' ' ' ILE . 34.1 tp -65.82 -38.42 88.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.778 178.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -57.4 -42.79 82.91 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 110.028 173.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -45.73 92.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.994 177.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.537 ' HE3' ' OE2' ' B' ' 445' ' ' GLU . 13.4 mmmm -61.27 -32.17 71.99 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.408 179.378 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.444 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.4 tm? -59.61 -51.28 70.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.125 0.488 . . . . 0.0 110.017 176.465 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.31 -1.41 49.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.275 -178.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.537 ' OE2' ' HE3' ' B' ' 442' ' ' LYS . 24.7 tt0 -98.21 -32.64 11.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.066 178.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.494 -0.765 . . . . 0.0 111.508 -177.658 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.505 ' C6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.273 -0.331 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.584 ' HB2' ' HG ' ' A' ' 12' ' ' LEU . 14.8 mt-30 -109.28 124.6 51.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 m -81.39 -17.81 47.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.934 0.397 . . . . 0.0 110.368 -179.625 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.9 p -78.87 9.03 4.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.24 0.543 . . . . 0.0 111.363 -179.198 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' HG ' ' HB2' ' A' ' 9' ' ' GLN . 97.3 mt -90.02 -26.08 20.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.317 177.64 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.68 8.91 39.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.313 0.578 . . . . 0.0 111.529 -175.567 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' ' HE2' ' A' ' 16' ' ' LYS . 52.2 tp -131.59 102.0 5.73 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 178.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 96.3 m-70 -100.21 142.74 31.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.175 0.512 . . . . 0.0 111.017 -175.19 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HE2' ' HG ' ' A' ' 14' ' ' LEU . 65.1 mmtt -119.78 112.13 18.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.242 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -110.86 114.78 48.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.175 0.512 . . . . 0.0 110.227 179.901 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.409 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.2 mt -99.12 111.0 27.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.515 178.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.892 ' HG3' ' HD2' ' A' ' 27' ' ' LYS . 56.4 tpp -82.5 104.09 12.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.946 -177.031 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 m -107.52 176.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.422 -175.222 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.22 -179.43 33.0 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.226 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 p -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.447 0.641 . . . . 0.0 110.534 178.508 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.755 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -144.23 -87.39 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 174.22 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' HG2' ' A' ' 27' ' ' LYS . . . -171.3 42.65 0.18 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.744 175.368 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.5 t -40.76 -65.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 O-C-N 124.537 0.786 . . . . 0.0 112.212 -173.878 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -135.1 11.61 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.326 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.069 ' HB3' HG21 ' A' ' 92' ' ' VAL . 53.2 pttt -71.58 -39.15 70.77 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.274 -174.687 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.526 ' O ' HD23 ' A' ' 32' ' ' LEU . 16.5 m -72.01 -23.64 61.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.19 0.519 . . . . 0.0 110.219 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.7 -37.76 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.377 176.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD11 ' HB3' ' A' ' 128' ' ' ASN . 95.9 mt -73.86 -41.31 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.589 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 35' ' ' MET . 19.9 p -60.93 -43.73 98.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.73 -176.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 28' ' ' SER . 4.1 mm? -59.11 -28.71 66.78 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.809 HE22 ' HA ' ' A' ' 39' ' ' PHE . 52.3 mm-40 -66.97 -44.89 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.397 0.617 . . . . 0.0 109.721 178.093 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' HE2' HG21 ' A' ' 64' ' ' ILE . 60.6 t80 -73.28 -36.36 66.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 31' ' ' THR . 92.3 mtp -69.0 -53.09 22.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.161 -177.755 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 77.2 m-85 -103.02 -83.9 0.47 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.454 177.518 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 15.6 t70 172.31 -36.22 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.879 0.737 . . . . 0.0 110.008 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -96.62 165.63 12.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 0.0 111.93 -171.117 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.809 ' HA ' HE22 ' A' ' 33' ' ' GLN . 73.9 t80 -76.23 127.19 32.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.773 -176.401 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 43' ' ' TYR . 7.7 p -77.08 133.62 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.386 -178.872 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -119.48 -36.52 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.175 177.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -132.48 94.93 3.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.148 0.499 . . . . 0.0 111.208 177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.457 ' HB3' HG21 ' A' ' 40' ' ' VAL . 60.3 t80 -170.61 100.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.181 174.713 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.718 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 4.5 mm-40 -110.38 -41.99 0.11 Allowed Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.147 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.0 Cg_endo -64.47 84.49 0.16 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.56 1.507 . . . . 0.0 113.15 178.459 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.713 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 2.7 p -105.84 17.53 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.738 176.055 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.698 ' HD2' ' CE2' ' A' ' 75' ' ' TYR . 31.8 mtmt -64.97 -57.84 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.979 -170.084 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.48 21.35 7.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.279 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.15 124.89 46.08 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.247 -174.593 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.4 t -131.84 145.92 51.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.757 178.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -122.77 130.48 52.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -74.94 104.68 5.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -178.445 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 35' ' ' MET . 50.3 tptt -104.78 126.14 51.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.024 -176.442 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -103.58 129.31 50.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.958 172.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 m -133.24 144.76 35.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.032 174.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 60' ' ' GLU . 7.1 p -120.13 132.44 69.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.151 0.501 . . . . 0.0 109.656 176.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.668 ' HB3' HH21 ' A' ' 174' ' ' ARG . 2.6 tt -129.62 109.24 10.84 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.21 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 67.81 -16.87 0.17 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.532 1.133 . . . . 0.0 113.343 174.219 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.22 -71.77 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 119.019 -1.562 . . . . 0.0 115.204 -178.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 56' ' ' VAL . 16.1 pt-20 -89.36 141.48 28.51 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 117.462 0.631 . . . . 0.0 112.074 -168.654 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.18 109.45 13.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.865 174.767 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.404 HG22 ' HG3' ' A' ' 60' ' ' GLU . 1.1 t -106.92 154.01 7.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.763 -171.033 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -113.75 150.87 32.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.256 178.327 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' SD ' ' A' ' 173' ' ' MET . 12.7 tt -149.25 131.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.113 -177.234 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 1.6 m-20 -99.69 143.65 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.172 175.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.92 113.56 40.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.33 -178.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -112.22 104.36 12.55 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.199 178.158 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.713 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 20.0 t70 -88.13 96.01 10.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.472 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.5 p -62.83 135.35 57.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.074 -175.386 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.96 125.39 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 176.515 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.755 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -87.8 58.39 4.34 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.314 -178.853 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 pp -149.09 172.19 15.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.529 0.204 . . . . 0.0 110.472 179.881 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -80.49 -32.25 37.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -170.717 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -52.85 -64.09 0.93 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.263 0.554 . . . . 0.0 111.668 -176.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.698 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 42.6 m-85 -79.95 57.65 2.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.266 -174.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.519 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . . . -59.42 -33.62 71.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.385 175.435 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.603 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -57.87 -41.92 83.47 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.948 178.242 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.615 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 46.0 mt -73.88 -17.29 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.818 -176.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HE ' ' HA ' ' A' ' 76' ' ' ALA . 85.0 mtm180 -91.96 -65.65 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.791 177.463 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -77.63 -55.11 5.63 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.216 0.531 . . . . 0.0 111.91 -175.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.695 HD22 ' HB3' ' B' ' 416' ' ' LEU . 0.8 OUTLIER -68.56 -23.42 64.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.847 -168.241 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 78' ' ' ILE . 11.4 m-85 -89.98 -13.16 36.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.081 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.3 m-30 -77.52 80.21 4.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.29 0.566 . . . . 0.0 111.046 -178.749 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' NH2' ' HG ' ' B' ' 423' ' ' LEU . 1.4 mmt85 -135.12 -80.85 0.43 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.24 -179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 m -80.52 32.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.189 0.518 . . . . 0.0 111.118 -177.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.98 126.34 8.89 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.746 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 180' ' ' LYS . 6.1 mm-40 -98.6 -63.81 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.134 0.492 . . . . 0.0 110.182 179.353 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.43 119.26 5.32 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.735 -174.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' HB2' HD23 ' A' ' 123' ' ' LEU . 97.1 m-85 -115.34 110.23 19.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.908 0.385 . . . . 0.0 110.013 177.525 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 124' ' ' LEU . 98.3 mt -89.79 118.95 29.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.183 179.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.2 mt -92.82 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.069 HG21 ' HB3' ' A' ' 27' ' ' LYS . 34.9 m -108.22 143.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.269 0.557 . . . . 0.0 111.886 -175.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.66 152.42 28.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.544 -0.909 . . . . 0.0 108.544 174.17 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.447 ' OG ' ' HG2' ' A' ' 97' ' ' GLU . 6.4 p -92.6 148.98 21.64 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.194 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' A' ' 136' ' ' ARG . 0.2 OUTLIER -73.23 8.74 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -175.311 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 135' ' ' ARG . 34.2 p -108.32 -31.42 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.859 0.361 . . . . 0.0 110.906 174.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HG2' ' OG ' ' A' ' 94' ' ' SER . 24.9 mm-40 -92.78 91.98 7.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 0.0 110.191 -178.004 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -69.91 -26.61 64.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.251 -178.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -65.24 -37.21 86.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.119 0.485 . . . . 0.0 110.62 179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 73.8 m -63.47 -29.46 70.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.097 0.475 . . . . 0.0 110.201 175.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -74.13 -31.49 62.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.567 178.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 m -64.5 -39.52 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.568 177.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.09 -15.19 61.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.593 -173.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.677 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 58.7 p -58.71 -30.52 67.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 111.522 -177.377 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.31 -40.72 74.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.732 178.849 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -69.8 -30.89 68.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -178.714 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.677 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 23.0 m-85 -57.3 -43.34 83.14 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -58.55 -54.17 50.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.084 0.469 . . . . 0.0 110.323 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.29 -33.57 72.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.283 -178.758 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -71.43 -33.74 69.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.378 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.7 mt -71.54 -45.07 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 mp -68.57 -20.45 64.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.887 178.417 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -59.99 -33.74 72.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.529 177.479 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' ' 83' ' ' PHE . 19.1 m -112.65 -20.15 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.522 -177.785 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 14.0 mmmt -106.33 -98.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 -178.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.7 -56.88 0.46 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.899 0.88 . . . . 0.0 113.311 178.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -83.34 53.92 2.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.005 0.431 . . . . 0.0 111.481 -173.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -116.2 -169.42 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.822 -177.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -68.41 0.4 Allowed 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 171.921 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -154.87 155.66 34.76 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.521 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.47 HD13 HG22 ' A' ' 111' ' ' ILE . 61.8 mt -105.49 95.09 9.38 Favored Pre-proline 0 C--N 1.313 -0.984 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.498 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.638 ' HB2' HD11 ' A' ' 172' ' ' LEU . 61.4 Cg_endo -71.99 106.55 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.5 0 C-N-CA 123.007 2.471 . . . . 0.0 111.848 -176.191 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 89' ' ' PHE . 94.4 mt -102.23 155.11 18.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.409 -178.89 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.76 HD13 ' HG3' ' A' ' 153' ' ' GLN . 4.0 tp -150.32 118.35 6.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.711 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.451 ' N ' HD12 ' A' ' 124' ' ' LEU . 20.7 t -84.11 115.61 26.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.978 -178.413 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.858 ' HB ' HG12 ' A' ' 92' ' ' VAL . 46.8 t -103.69 109.87 28.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.609 -175.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.73 99.05 2.16 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 7.5 p30 -100.33 163.71 12.26 Favored 'General case' 0 C--N 1.32 -0.715 0 O-C-N 122.742 -0.269 . . . . 0.0 110.837 -176.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.624 ' HE2' HD21 ' A' ' 132' ' ' LEU . 19.1 tptm 69.47 17.29 8.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.689 178.605 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.2 p -63.44 -8.7 9.82 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.195 0.522 . . . . 0.0 111.658 -177.07 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.63 -13.46 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.623 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.731 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 86.8 mt -67.17 -41.69 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.715 -177.655 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 61.29 -76.87 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.396 0.679 . . . . 0.0 112.467 176.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.35 -24.67 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.952 0.406 . . . . 0.0 111.375 -175.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 69.3 mtt180 -86.63 -1.69 57.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HA ' HG12 ' A' ' 95' ' ' ILE . 37.3 ttp180 -58.14 113.67 2.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.07 0.462 . . . . 0.0 111.112 -178.229 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -93.23 -28.75 16.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.726 -178.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.4 p -109.9 116.69 53.47 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.313 179.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -60.14 128.61 26.99 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.163 1.909 . . . . 0.0 111.434 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.8 OUTLIER -54.68 -22.06 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.161 178.09 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.58 -53.88 52.47 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.483 179.255 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -71.73 -23.68 61.66 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 -178.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.76 -41.93 67.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 178.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 80.4 mtp180 -68.12 -33.26 74.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.087 177.614 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 37.5 t -55.65 -54.58 42.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.622 178.151 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 146' ' ' LYS . 29.3 mmtp -60.27 -37.54 80.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.771 -177.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.55 -44.19 89.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.989 0.423 . . . . 0.0 110.513 175.559 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -69.59 -37.47 76.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 178.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 145' ' ' SER . 48.1 mt-10 -65.14 -33.77 76.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.269 -179.018 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -90.45 -29.5 17.92 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.065 -178.255 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 38.03 3.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.277 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.95 175.32 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.579 0.228 . . . . 0.0 110.933 -179.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.76 ' HG3' HD13 ' A' ' 124' ' ' LEU . 11.3 pt20 -96.98 161.97 13.6 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.831 175.366 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.437 ' HE2' HG22 ' A' ' 140' ' ' VAL . 84.3 t80 -130.71 121.31 25.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.645 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.09 136.03 62.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 -177.358 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.46 126.93 34.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.038 176.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.7 p -117.02 130.86 56.96 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.129 0.49 . . . . 0.0 111.166 -177.494 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.1 m -123.75 104.15 8.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.199 179.039 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.1 -12.63 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.978 -176.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -72.89 -31.28 64.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.108 179.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.1 p -113.35 3.3 15.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.258 -179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 62.82 27.89 16.22 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -94.64 127.57 40.69 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.11 -173.549 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 68.38 9.01 7.0 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.306 173.845 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.03 -49.32 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.041 0.448 . . . . 0.0 110.846 -177.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -77.3 -22.95 51.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.228 -178.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.21 -48.91 79.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.837 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.34 -26.9 38.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.296 . . . . 0.0 111.725 -177.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -75.71 -55.76 5.34 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.306 176.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.418 ' CD1' HD12 ' A' ' 57' ' ' LEU . 38.4 m-85 -62.47 -40.69 97.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.9 -174.442 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -56.01 -52.44 64.2 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.905 0.383 . . . . 0.0 110.806 179.7 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' PRO . 28.3 tp -71.75 -41.24 68.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.153 -175.694 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.471 ' SD ' HD12 ' A' ' 64' ' ' ILE . 43.0 mtp -59.24 -35.98 74.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.395 -179.568 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.668 HH21 ' HB3' ' A' ' 57' ' ' LEU . 13.9 mmt85 -75.68 -39.59 57.27 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.534 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.63 -29.81 71.0 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.658 0.266 . . . . 0.0 110.658 178.049 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.663 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 76.2 mt -55.87 -45.38 79.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.715 178.035 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 181' ' ' MET . 55.7 mtm180 -57.69 -49.75 75.48 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.021 0.439 . . . . 0.0 110.219 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.4 m -62.87 -35.29 79.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.192 -178.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.84 -32.29 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.662 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 31.4 mmmt -69.35 -41.39 76.66 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 176.159 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 59.4 mtt -69.36 -34.29 74.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.854 178.709 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 66.2 m 67.85 -84.28 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.301 176.556 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -160.66 131.84 5.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.867 0.365 . . . . 0.0 110.105 -173.643 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -108.73 24.62 12.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.151 0.5 . . . . 0.0 111.064 -175.155 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.46 179.452 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 11.8 p -67.88 -19.65 65.04 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -176.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.68 -42.4 83.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.988 0.423 . . . . 0.0 110.978 176.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.463 ' O ' HG12 ' B' ' 398' ' ' ILE . 21.2 m -80.91 -31.13 35.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.527 -179.227 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' B' ' 391' ' ' GLY . 85.1 mt-30 -59.95 -27.55 66.89 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.417 -178.612 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.22 -56.12 21.41 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.945 0.402 . . . . 0.0 111.291 -179.591 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -67.35 -37.59 90.65 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.905 178.127 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.537 ' O ' HG13 ' B' ' 402' ' ' ILE . 49.4 mm -59.49 -53.95 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.416 0.15 . . . . 0.0 111.122 -179.696 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.39 -45.62 87.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.376 -177.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.18 -39.4 90.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.067 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 27.3 tt0 -71.41 -41.84 69.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.046 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.5 mt -53.43 -52.47 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 O-C-N 123.037 0.211 . . . . 0.0 110.541 176.127 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -58.66 -36.33 73.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.051 -177.695 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.633 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 62.5 ttp180 -67.51 -48.68 66.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.466 177.219 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 15.4 mm100 -67.39 -35.98 80.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.441 -175.409 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.568 ' HG2' HD21 ' B' ' 436' ' ' LEU . 42.7 mt-10 -61.27 -47.69 84.87 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.185 175.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -64.38 -41.9 96.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.028 -179.35 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 65.7 mt -61.19 -51.94 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 -179.634 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.647 HD23 HG13 ' B' ' 432' ' ' VAL . 3.3 tm? -66.34 -35.27 79.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.828 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.618 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 60.5 t30 -66.72 -54.49 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 178.775 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 40.3 t -59.15 -45.99 89.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.524 -177.406 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.621 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 20.6 mt -52.41 -51.04 61.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.136 178.538 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.499 ' CD2' ' HA ' ' B' ' 410' ' ' ASN . 4.6 p80 -70.09 -30.5 67.73 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.52 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 19.7 mtm180 -71.56 -52.88 15.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.482 -179.644 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.47 -46.56 89.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.906 -175.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 81' ' ' ASN . 66.2 mt -63.31 -25.93 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.238 -173.805 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 413' ' ' HIS . 64.7 mt-30 -59.99 -21.76 61.67 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.49 0.186 . . . . 0.0 111.307 179.392 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -7.5 44.75 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.204 -0.522 . . . . 0.0 113.014 -178.252 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.33 9.66 31.07 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.875 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 56.8 mt -108.35 124.64 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.29 149.91 37.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.495 0.664 . . . . 0.0 110.967 175.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.6 t70 -148.75 161.0 42.66 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.498 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.551 ' HG ' ' NH2' ' A' ' 84' ' ' ARG . 9.2 mp -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.752 0.31 . . . . 0.0 111.065 -177.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 12.5 t -64.13 -37.42 87.39 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.293 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 33.6 mmtt -69.08 -49.69 55.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.617 -177.864 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 28.2 mt-10 -59.56 -46.8 87.86 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.329 -175.475 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -71.86 -35.29 69.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.1 -176.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.635 ' O ' HG12 ' B' ' 432' ' ' VAL . 30.2 mmt180 -65.92 -37.37 85.89 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.313 174.781 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.642 HD11 HD12 ' B' ' 416' ' ' LEU . 21.2 mt -55.37 -57.37 12.12 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.249 0.343 . . . . 0.0 111.269 -179.046 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -64.55 -35.99 82.75 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.022 179.136 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.654 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 37.4 tt0 -65.07 -55.41 19.0 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.677 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.659 ' HA ' HD12 ' B' ' 435' ' ' ILE . 9.0 p -64.77 -31.48 53.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.805 0.335 . . . . 0.0 110.459 -179.252 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -54.91 -50.76 68.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.968 176.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.654 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 3.0 mtp-105 -61.41 -38.72 88.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.653 0.739 . . . . 0.0 109.799 178.614 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' B' ' 432' ' ' VAL . 63.4 mt -66.1 -47.29 85.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.832 -177.599 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.568 HD21 ' HG2' ' B' ' 406' ' ' GLU . 2.8 tm? -58.62 -44.45 89.97 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 121.144 -0.222 . . . . 0.0 111.268 -179.796 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.5 t -68.6 -34.47 75.83 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.384 -176.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.97 -38.56 79.46 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.858 0.361 . . . . 0.0 110.111 174.899 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' B' ' 402' ' ' ILE . 2.4 mm? -59.94 -41.87 92.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.131 177.069 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -63.27 -38.05 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.032 0.444 . . . . 0.0 110.402 177.003 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -44.62 90.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.3 mmmm -59.11 -33.62 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.431 178.349 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.609 ' HB2' HD11 ' B' ' 402' ' ' ILE . 49.5 tp -64.96 -43.88 91.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -82.78 -4.66 58.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 110.858 177.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -87.29 -34.67 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.207 179.639 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.731 -179.588 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.475 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -75.99 84.52 2.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.911 0.386 . . . . 0.0 110.295 -179.301 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.9 p -85.71 -71.19 0.55 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.178 0.513 . . . . 0.0 110.675 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.7 m -140.32 83.64 1.92 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.443 0.64 . . . . 0.0 109.49 175.734 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 177' ' ' ARG . 67.5 mt -119.71 -23.57 6.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.536 -176.337 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.607 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -77.14 10.66 2.26 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.346 0.593 . . . . 0.0 111.7 -177.702 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 tp -148.06 132.63 17.75 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.358 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.465 ' HE1' ' HG3' ' A' ' 177' ' ' ARG . 73.6 m-70 -131.03 145.5 52.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.271 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -120.81 115.33 23.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.143 -178.611 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.53 141.47 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.285 0.564 . . . . 0.0 111.695 -179.178 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -116.24 129.1 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.413 177.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.485 ' SD ' HD12 ' A' ' 90' ' ' LEU . 84.6 mmm -93.02 103.4 15.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.734 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.53 157.23 4.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.764 0.316 . . . . 0.0 110.912 -177.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.39 145.45 4.18 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.709 -178.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.7 m -60.33 124.37 20.1 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 122.742 0.417 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' N ' ' HA3' ' A' ' 71' ' ' GLY . . . 60.53 -105.81 0.9 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -173.701 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.794 ' HA2' ' HE2' ' A' ' 27' ' ' LYS . . . -156.58 56.28 0.39 Allowed Glycine 0 N--CA 1.441 -1.012 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 174.523 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.491 ' O ' ' HD3' ' A' ' 129' ' ' LYS . 61.9 t -39.3 -60.41 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.607 0.763 . . . . 0.0 112.942 -176.232 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . -162.69 62.71 0.27 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.617 -0.802 . . . . 0.0 111.918 -179.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HE2' ' HA2' ' A' ' 24' ' ' GLY . 50.5 pttt -125.1 -42.05 2.04 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.729 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.1 m -64.37 -28.09 69.46 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' HB2' " H1'" ' A' ' 500' ' ' GNP . . . -71.52 -46.74 58.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.038 0.447 . . . . 0.0 111.003 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 HD11 HD21 ' A' ' 128' ' ' ASN . 9.2 mp -66.54 -33.74 76.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.523 -174.225 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 HG21 ' A' ' 66' ' ' ILE . 76.8 p -64.81 -46.03 83.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.701 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.08 -36.95 85.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.294 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 97.1 mt-30 -69.89 -27.55 64.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.25 178.711 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -72.62 -33.95 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.816 0.341 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.501 ' HG3' ' HD3' ' A' ' 53' ' ' LYS . 4.6 mpp? -95.09 -52.78 4.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -100.53 -15.63 17.78 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -173.201 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 38.7 t70 72.4 7.26 5.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.59 0.709 . . . . 0.0 111.142 177.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -104.35 146.58 28.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.599 178.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -77.95 144.65 36.63 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.87 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -64.19 109.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.786 0.803 . . . . 0.0 111.499 -176.654 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -104.61 -39.23 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.062 173.688 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -151.08 83.5 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.673 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -162.38 97.29 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.924 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.8 mm-40 -113.54 -44.66 0.07 OUTLIER Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -177.607 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.924 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 1.6 Cg_endo -42.24 95.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 123.537 2.825 . . . . 0.0 113.753 -179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.02 82.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.687 175.025 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' O ' HG21 ' A' ' 78' ' ' ILE . 30.7 mmmt -85.95 -60.64 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.654 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.88 5.43 6.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.117 168.876 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -48.61 108.05 0.16 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.128 -166.731 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 66' ' ' ILE . 4.2 m -98.54 121.21 40.19 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.552 175.717 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HD2' ' HG2' ' A' ' 35' ' ' MET . 14.3 t80 -115.29 136.85 52.67 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 20.3 mtm180 -99.59 124.92 45.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 -178.422 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.501 ' HD3' ' HG3' ' A' ' 35' ' ' MET . 53.1 tptt -98.65 127.42 44.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.285 177.202 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -84.17 117.08 23.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.103 0.477 . . . . 0.0 110.866 175.409 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG23 ' HB ' ' A' ' 62' ' ' VAL . 27.0 m -125.27 175.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 171.495 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.9 p -143.86 124.24 9.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.143 172.474 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' HB3' ' A' ' 58' ' ' ASP . 88.0 mt -113.69 107.58 15.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.13 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 57' ' ' LEU . 27.7 t70 76.57 -37.33 0.29 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.885 174.587 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.98 -39.97 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 119.105 -1.521 . . . . 0.0 114.516 -178.206 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 56' ' ' VAL . 5.2 pt-20 -88.07 133.88 33.88 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 117.687 0.744 . . . . 0.0 110.272 -177.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -75.1 118.43 18.03 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' ALA . 1.9 t -106.45 137.66 35.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.361 -168.453 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -114.28 152.55 31.18 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.995 174.023 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 11.8 tt -141.7 126.64 17.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.119 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.789 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 6.7 m-20 -86.87 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' A' ' 50' ' ' SER . 22.1 mm -107.74 112.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 178.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -98.62 105.01 17.1 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -92.04 119.73 32.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 176.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.4 p -95.43 152.78 18.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.289 0.566 . . . . 0.0 112.349 -172.788 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.81 111.51 20.82 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 170.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.413 ' HA3' ' N ' ' A' ' 23' ' ' GLY . . . -79.94 69.34 3.09 Favored Glycine 0 C--O 1.228 -0.257 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.344 -175.115 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -151.5 -179.02 7.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.778 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -93.9 -9.13 38.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.754 0.311 . . . . 0.0 111.548 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.6 m-20 -71.88 -66.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.469 -177.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' HB3' HG13 ' A' ' 78' ' ' ILE . 49.1 m-85 -79.04 66.43 4.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.882 -175.586 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.48 -33.46 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.225 0.536 . . . . 0.0 111.65 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.14 -6.08 40.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.556 -177.312 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.447 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 10.4 mt -102.27 -32.46 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.044 0.449 . . . . 0.0 110.806 179.383 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -93.26 -65.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.832 179.781 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.5 -46.45 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.352 0.596 . . . . 0.0 110.969 -171.197 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.622 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 91.1 m-20 -72.35 -16.86 61.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.521 -0.763 . . . . 0.0 112.421 -174.096 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.8 OUTLIER -86.76 -6.96 58.67 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.283 -0.26 . . . . 0.0 111.602 177.761 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -75.35 16.03 0.39 Allowed 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -84.3 -73.32 0.43 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.921 0.391 . . . . 0.0 110.617 178.444 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.7 m -80.49 3.92 19.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.02 117.53 6.45 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 176.072 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 16' ' ' LYS . 41.4 tt0 -87.87 -73.83 0.47 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 122.431 0.292 . . . . 0.0 111.011 -174.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.57 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -94.78 151.95 20.32 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.184 -179.611 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' HE2' ' HZ3' ' A' ' 115' ' ' LYS . 90.6 m-85 -130.08 127.16 39.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.996 0.427 . . . . 0.0 111.381 -176.174 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 124' ' ' LEU . 88.1 mt -107.3 110.84 22.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.172 176.229 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.34 106.05 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.097 178.314 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.4 t -97.96 113.16 31.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.332 . . . . 0.0 110.749 -178.48 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -128.95 173.74 10.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 46.6 t -113.16 142.88 45.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.171 -179.629 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.601 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -80.21 9.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.247 0.546 . . . . 0.0 110.97 179.926 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.725 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 23.3 p -132.59 -46.64 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.669 177.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 17.3 mt-10 -69.87 90.67 0.62 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.627 175.117 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -63.48 -27.15 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.987 -170.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.51 -42.25 82.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -178.356 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 82.5 p -70.93 -29.72 65.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -66.47 -43.38 85.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -178.519 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.2 m -70.94 -27.69 63.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.176 0.513 . . . . 0.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.42 -15.04 62.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.423 -176.545 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.6 p -55.47 -41.89 73.57 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.688 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.06 -40.68 98.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.67 -46.28 90.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.24 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.4 m-85 -57.04 -51.42 69.33 Favored 'General case' 0 N--CA 1.46 0.057 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.388 179.876 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -58.21 -53.96 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -177.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -66.94 -31.83 72.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.988 -175.141 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -70.1 -32.13 70.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 178.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.7 mt -67.96 -47.16 80.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.484 176.578 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 mp -69.63 -13.0 62.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.595 -179.749 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -73.66 -36.24 65.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.959 0.409 . . . . 0.0 110.318 176.524 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.466 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.9 m -103.58 -24.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.534 -177.797 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.466 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.1 mtpt -117.42 110.4 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 178.397 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -124.08 -31.12 3.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -173.344 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -130.13 25.77 5.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.142 0.496 . . . . 0.0 110.355 -175.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -88.24 -15.67 35.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.009 -172.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.3 t70 73.18 -52.37 0.71 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.672 0.789 . . . . 0.0 111.517 179.265 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.535 ' HE3' ' HB3' ' A' ' 179' ' ' LYS . 11.9 mptt -80.58 80.95 6.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -176.703 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.436 HG12 ' HE2' ' A' ' 115' ' ' LYS . 21.3 mt -130.51 85.37 56.43 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 170.342 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.57 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 31.0 Cg_endo -97.52 120.83 0.16 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.639 2.892 . . . . 0.0 112.272 175.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 9.2 mp -108.07 130.1 55.11 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.103 0.477 . . . . 0.0 110.59 179.073 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.612 HD13 ' CG ' ' A' ' 153' ' ' GLN . 4.4 tp -124.4 118.57 26.98 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 174.834 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' N ' HD12 ' A' ' 124' ' ' LEU . 21.1 t -82.21 116.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.871 -177.269 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.6 t -102.62 109.31 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.629 -175.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.22 101.64 2.75 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.642 -0.79 . . . . 0.0 111.131 175.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.454 HD21 HD11 ' A' ' 30' ' ' LEU . 6.1 t-20 -110.45 -174.9 2.59 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -177.814 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 25' ' ' VAL . 14.3 mmmm 66.0 29.61 10.06 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.132 0.491 . . . . 0.0 110.144 179.806 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 p -71.09 16.73 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.354 -177.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.09 -38.45 90.76 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.471 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 96' ' ' THR . 6.2 mp -83.6 58.58 4.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.258 175.133 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -72.27 -39.06 68.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.822 0.344 . . . . 0.0 110.161 -178.627 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -79.64 -30.24 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.165 0.507 . . . . 0.0 110.062 177.339 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.515 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.7 mtt180 -94.5 23.56 5.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.983 -175.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.0 112.61 0.99 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.934 0.397 . . . . 0.0 110.287 -179.33 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.725 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 54.3 tp60 -86.22 -35.48 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.071 -174.066 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.424 HG12 ' C ' ' A' ' 95' ' ' ILE . 14.8 p -110.58 124.22 33.7 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.963 177.504 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.66 126.21 19.24 Favored 'Trans proline' 0 N--CA 1.461 -0.406 0 C-N-CA 122.689 2.259 . . . . 0.0 112.873 -177.294 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.459 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -62.01 -22.99 30.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.819 175.817 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -55.88 -50.77 69.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.758 177.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -84.04 -23.66 30.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.076 -179.617 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -65.37 -48.3 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.069 0.461 . . . . 0.0 110.454 176.5 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 20.8 mtp180 -64.56 -39.45 93.77 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.177 175.63 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.3 t -55.05 -42.11 72.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.352 -179.469 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.1 mmtt -68.86 -39.29 79.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.477 179.314 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.64 -44.69 96.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.37 0.605 . . . . 0.0 110.231 176.031 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -68.35 -31.09 70.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.322 179.115 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.12 -46.27 84.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.977 178.227 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 40.7 m0 -79.27 -13.92 59.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.087 -176.054 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 86.35 32.39 16.67 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.659 -0.782 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.459 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 33.8 m -117.83 -178.53 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.549 0 CA-C-O 120.748 0.309 . . . . 0.0 110.782 179.903 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.612 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -102.46 156.15 17.79 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 177.937 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.477 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 93.2 t80 -126.31 119.65 27.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.327 177.712 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 124' ' ' LEU . 87.5 t -125.74 124.86 67.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -86.02 132.18 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.78 175.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 29.2 p -127.13 130.13 49.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.168 0.509 . . . . 0.0 110.999 -176.282 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 15.0 m -110.73 101.63 10.24 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.582 178.14 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.97 -30.69 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -173.534 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -76.08 -6.58 51.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.908 0.385 . . . . 0.0 111.248 -175.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 20.0 p -130.69 -1.4 4.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.004 0.43 . . . . 0.0 110.182 -179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 66.31 21.58 10.96 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.796 179.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.54 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -76.54 118.89 19.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.237 -175.689 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 66.69 9.37 6.62 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.191 177.296 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 78.5 t -62.3 -41.97 93.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.361 . . . . 0.0 110.634 178.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -76.27 -37.65 57.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.121 178.808 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -54.98 -49.5 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.353 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -34.89 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.079 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.256 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -75.6 -44.64 41.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.126 178.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.551 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 53.0 m-85 -69.64 -40.21 76.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.698 -178.118 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.83 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.895 0.379 . . . . 0.0 110.353 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.6 tp -62.54 -43.87 97.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.254 -179.528 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.559 ' HA ' HD12 ' A' ' 176' ' ' ILE . 9.7 ptp -66.61 -29.12 69.09 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.527 -178.22 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 17.3 mmt180 -66.6 -47.61 72.14 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.622 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.495 ' HG3' HE22 ' A' ' 153' ' ' GLN . 5.4 mm-40 -64.48 -30.17 71.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.645 175.336 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.714 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 25.1 mt -56.32 -49.35 77.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 168.863 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.601 ' HG2' HD22 ' A' ' 12' ' ' LEU . 37.5 mtp85 -58.09 -40.19 80.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.773 175.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 175' ' ' GLU . 12.2 m -55.79 -39.21 70.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 178.296 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.535 ' HB3' ' HE3' ' A' ' 120' ' ' LYS . 13.6 mptt -73.45 -36.65 65.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.668 0.27 . . . . 0.0 111.307 178.179 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.714 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 18.2 mmmt -73.36 -34.68 65.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.952 0.406 . . . . 0.0 110.434 -177.715 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 62.3 mtt -85.82 -28.61 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.465 179.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 61.2 p 48.89 -104.9 0.14 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.875 0.734 . . . . 0.0 110.285 -167.501 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -177.7 101.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.11 0.481 . . . . 0.0 109.751 174.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -104.67 26.7 8.77 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.535 -179.453 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--O 1.247 0.936 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.104 -177.995 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.304 -0.318 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.947 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 5.0 p -151.22 79.1 1.3 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.006 0.432 . . . . 0.0 110.57 -179.774 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.7 -54.69 38.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.154 -176.515 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.446 ' O ' HG12 ' B' ' 398' ' ' ILE . 26.0 m -93.27 -31.83 14.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 0.0 111.228 -177.16 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.947 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 88.8 mt-30 -61.71 -27.35 68.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.336 -178.618 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -53.97 -55.71 24.59 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.437 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.404 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -66.09 -35.44 90.55 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.911 -179.839 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.53 ' O ' HG13 ' B' ' 402' ' ' ILE . 28.9 mm -58.48 -47.55 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.144 0.497 . . . . 0.0 110.096 177.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -58.55 -40.21 82.39 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.431 -179.39 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.404 ' OE2' ' HA2' ' B' ' 397' ' ' GLY . 42.9 mt-10 -60.46 -43.06 97.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.947 179.407 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 439' ' ' LEU . 30.2 mt-10 -81.08 -27.48 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' B' ' 439' ' ' LEU . 84.6 mt -54.73 -53.26 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 170.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -63.31 -30.76 71.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 9.7 ttm-85 -62.27 -50.71 70.61 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.288 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.468 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.6 mm-40 -70.65 -31.86 68.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.954 -176.676 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 44.8 mt-10 -60.01 -44.31 94.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 174.425 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -69.22 -44.14 72.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.65 177.744 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 57.3 mt -59.89 -51.7 68.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.024 -178.046 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.23 -35.07 79.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.707 0.289 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.5 -43.57 98.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 109.836 176.133 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -60.07 -51.0 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.438 179.807 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.559 HD23 ' O ' ' B' ' 408' ' ' LEU . 4.2 mm? -55.42 -41.95 73.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.697 0.284 . . . . 0.0 111.454 175.577 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.78 -48.88 72.88 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.981 -179.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.54 -39.31 91.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.662 0.268 . . . . 0.0 111.369 -177.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.88 -48.72 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 -178.308 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.2 mp -75.07 -40.36 60.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.284 -178.738 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -69.97 -9.52 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.017 -179.34 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -84.92 -8.02 83.04 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.763 172.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.99 -0.21 24.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.897 176.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.749 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 55.4 mt -112.58 115.74 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.552 -177.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -133.61 147.48 51.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.292 0.567 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.574 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 28.9 t70 -150.19 171.96 16.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.504 -176.121 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -72.16 -32.57 67.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.9 0.381 . . . . 0.0 110.578 178.785 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 32.8 t -61.5 -31.6 71.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.334 0.588 . . . . 0.0 109.715 177.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' B' ' 416' ' ' LEU . 59.3 mmtt -72.1 -52.9 14.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.778 -176.24 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.9 -42.99 99.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.472 -174.498 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 431' ' ' GLU . 41.5 mt-10 -63.94 -43.38 96.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.426 177.498 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.463 ' HA ' ' HG2' ' B' ' 431' ' ' GLU . 16.6 mmt180 -64.23 -35.92 82.41 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.311 177.701 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 28.6 mt -55.82 -53.56 55.27 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.753 0.311 . . . . 0.0 111.289 -179.356 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.476 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 76.7 m95 -66.38 -41.96 88.62 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.964 -177.792 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.506 ' O ' HG13 ' B' ' 435' ' ' ILE . 10.2 pt-20 -72.69 -41.58 65.16 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.673 -177.159 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.746 ' HA ' HD12 ' B' ' 435' ' ' ILE . 6.8 p -66.3 -35.08 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.424 0.63 . . . . 0.0 110.328 -178.233 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -60.69 -42.35 96.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.309 175.332 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 0.9 OUTLIER -57.41 -37.21 72.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.171 176.671 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' B' ' 432' ' ' VAL . 7.5 mt -68.37 -49.01 70.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.448 -179.855 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' B' ' 405' ' ' GLN . 20.8 tp -58.73 -43.62 90.26 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 177.07 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 434' ' ' ARG . 7.1 t -69.2 -32.98 72.62 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -178.144 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.633 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.08 -40.59 82.63 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.853 174.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.68 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.4 OUTLIER -57.04 -45.48 83.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 177.512 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -63.7 -32.92 74.56 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.337 0.589 . . . . 0.0 110.262 179.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.14 -46.91 60.58 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 177.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.7 mmmt -58.47 -39.69 80.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.037 178.395 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.453 ' CA ' HG21 ' B' ' 398' ' ' ILE . 3.2 tm? -60.18 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.658 -179.605 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -82.65 -2.63 54.53 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.436 -178.437 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -93.46 -51.75 4.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.448 176.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.477 -175.113 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.477 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.891 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 61.68 30.55 18.55 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.398 0.618 . . . . 0.0 109.485 -176.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 m -100.54 114.32 27.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.833 -172.516 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 m 61.64 19.83 10.78 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.762 -0.653 . . . . 0.0 112.697 171.737 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.7 mt -85.77 -22.26 27.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.112 0.482 . . . . 0.0 110.835 -177.179 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.5 5.76 37.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.843 176.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 tp -112.09 130.71 55.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.339 178.063 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -133.25 139.06 46.74 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.862 -173.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -114.26 114.52 26.08 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.857 -178.147 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 58.5 t -131.91 128.91 60.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -178.384 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 HD12 ' CE2' ' A' ' 89' ' ' PHE . 42.3 mt -110.21 134.94 50.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.885 0.374 . . . . 0.0 110.332 175.781 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.461 ' HG3' ' CG2' ' A' ' 31' ' ' THR . 94.9 mmm -91.19 120.11 31.84 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.53 177.373 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 91' ' ' LEU . 30.9 m -94.77 170.06 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.583 -173.841 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' HG2' ' A' ' 27' ' ' LYS . . . 160.06 -177.6 36.46 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.162 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.3 m -124.37 -69.94 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.218 0.532 . . . . 0.0 109.609 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -125.94 -108.88 1.66 Allowed Glycine 0 N--CA 1.44 -1.056 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.242 176.285 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.89 63.64 2.13 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.5 -178.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 93.0 t -84.46 -16.09 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.717 0.77 . . . . 0.0 109.804 176.523 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA3' ' NZ ' ' A' ' 129' ' ' LYS . . . 92.15 13.8 57.0 Favored Glycine 0 C--N 1.322 -0.198 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.327 -177.571 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.07 -8.1 54.22 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.368 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.423 ' HB3' ' O2B' ' A' ' 500' ' ' GNP . 12.7 t -100.59 -6.0 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.102 0.477 . . . . 0.0 110.584 -177.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -73.19 -50.57 21.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.273 0.559 . . . . 0.0 111.045 177.419 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD22 HG13 ' A' ' 165' ' ' VAL . 96.2 mt -63.79 -32.3 73.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.551 -171.822 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.461 ' CG2' ' HG3' ' A' ' 19' ' ' MET . 8.2 p -63.77 -55.3 24.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.741 0.305 . . . . 0.0 111.222 -177.675 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.03 -35.96 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 179.48 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' ALA . 86.3 mt-30 -65.53 -52.32 53.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.37 -179.397 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -67.37 -35.45 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.54 -176.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtm -75.0 -48.58 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -175.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -97.55 -4.47 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 59.34 33.76 22.6 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.134 0.492 . . . . 0.0 111.123 -179.461 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 36.6 tt0 -144.22 151.43 39.45 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.811 -179.011 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -75.03 115.5 14.73 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.089 -0.338 . . . . 0.0 110.089 176.809 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 p -68.12 114.0 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.267 0.556 . . . . 0.0 111.09 179.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -86.16 -59.88 2.16 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.357 174.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -124.69 129.85 51.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.448 0.642 . . . . 0.0 111.043 -179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -174.84 89.3 0.05 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.588 ' HA ' ' O1G' ' A' ' 500' ' ' GNP . 42.9 mt-10 -75.88 -53.48 2.38 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.994 -171.594 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.38 124.19 12.96 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 121.544 1.496 . . . . 0.0 111.82 177.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.526 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.5 OUTLIER -149.82 39.42 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 171.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 70' ' ' ALA . 50.5 mtmt -85.48 -46.91 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.353 -177.401 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.63 7.9 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.684 0.754 . . . . 0.0 109.238 176.708 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 3.4 m-20 -79.43 80.58 5.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.333 -176.129 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 67' ' ' LEU . 50.2 m -125.35 123.66 39.86 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' HE1' ' HG3' ' B' ' 440' ' ' LYS . 79.5 m-85 -118.61 149.15 41.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -174.412 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' HB3' ' A' ' 63' ' ' GLN . 43.4 mtp180 -92.24 125.77 37.04 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.849 -178.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -98.76 126.79 44.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.793 179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -95.66 124.16 39.55 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.225 174.823 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.4 m -126.22 144.19 37.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.889 175.478 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.418 HG23 ' C ' ' A' ' 60' ' ' GLU . 4.8 p -122.06 115.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 177.562 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -106.79 99.81 9.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.583 0.706 . . . . 0.0 111.085 -177.866 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 57.9 43.4 21.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.713 -1.13 . . . . 0.0 112.516 177.718 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.08 -55.05 0.77 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.798 -1.192 . . . . 0.0 115.119 171.169 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.418 ' C ' HG23 ' A' ' 56' ' ' VAL . 8.8 pt-20 -88.62 131.2 35.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.413 0.607 . . . . 0.0 111.342 -171.36 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.92 111.35 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.167 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -106.43 143.33 17.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.072 -172.881 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.546 ' HB3' HH21 ' A' ' 52' ' ' ARG . 8.2 mm100 -113.5 117.62 32.19 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.726 -172.49 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.483 ' HB ' ' SD ' ' A' ' 173' ' ' MET . 15.1 tt -111.28 126.3 68.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 0.0 110.28 175.787 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -110.46 110.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.575 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.21 151.6 19.07 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.283 0 CA-C-O 121.343 0.592 . . . . 0.0 112.033 -175.692 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 68' ' ' ASP . 19.9 tp -119.77 132.19 55.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.78 174.678 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.442 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 11.1 t0 -98.92 -176.2 3.26 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 172.311 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -153.32 148.96 27.38 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.915 -0.491 . . . . 0.0 111.285 -174.443 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.549 ' HB2' ' HG2' ' A' ' 47' ' ' LYS . . . -77.36 140.76 40.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.513 171.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.01 67.49 3.59 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.928 -177.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.9 OUTLIER -155.65 169.89 23.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.9 0.381 . . . . 0.0 111.508 -177.351 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -100.66 -2.9 31.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.351 0.596 . . . . 0.0 109.707 178.548 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.0 m-20 -63.01 -64.37 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.643 -178.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.53 ' H ' HD13 ' A' ' 72' ' ' LEU . 73.8 m-85 -80.58 72.27 7.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.674 -175.206 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.56 -24.07 67.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.837 176.354 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.917 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -67.06 -18.83 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.564 -179.16 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 47' ' ' LYS . 64.6 mt -92.84 -36.59 7.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 -178.522 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -85.52 -63.94 1.24 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.828 -178.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.83 -55.96 19.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.141 -172.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.917 HD22 ' HA ' ' A' ' 77' ' ' ALA . 57.1 m-80 -65.8 -35.43 80.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.277 -172.156 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' B' ' 409' ' ' LEU . 22.2 m-85 -73.8 -31.08 63.09 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 122.197 -0.314 . . . . 0.0 111.664 -179.797 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.659 ' HB3' HG21 ' A' ' 114' ' ' VAL . 4.3 m-30 -63.37 -24.64 67.93 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.904 -177.492 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.751 ' HG2' ' HB ' ' A' ' 114' ' ' VAL . 20.3 mtp-105 -68.01 -49.56 60.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.572 0.225 . . . . 0.0 110.834 -178.128 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 73.2 m -85.85 21.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 111.175 175.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.39 126.1 8.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.356 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 16' ' ' LYS . 45.2 mt-10 -86.14 -74.06 0.43 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.63 0.252 . . . . 0.0 111.363 -178.036 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.94 151.45 19.5 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.398 -177.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.436 ' CE2' HD12 ' A' ' 18' ' ' ILE . 88.9 m-85 -134.62 133.15 39.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.41 . . . . 0.0 111.24 -178.125 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD23 ' HB3' ' A' ' 124' ' ' LEU . 65.2 mt -96.03 113.9 25.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 171.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 20' ' ' VAL . 28.1 tp -89.76 106.02 18.19 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.468 -176.212 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.863 HG12 ' HB ' ' A' ' 126' ' ' VAL . 21.3 m -119.16 142.31 34.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.89 0.376 . . . . 0.0 111.412 -175.293 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.55 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 31.1 p90 -153.51 156.56 38.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.178 177.007 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 m -88.93 129.78 35.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.389 178.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.69 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.37 1.0 2.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -174.523 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 132' ' ' LEU . 23.7 p -85.93 -40.68 15.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.278 0.561 . . . . 0.0 109.591 174.494 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -86.92 104.42 16.23 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.635 -179.507 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.86 -28.24 69.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.298 -175.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.13 -28.75 66.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.892 0.377 . . . . 0.0 111.002 -177.463 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 17.9 m -64.93 -25.85 68.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.056 0.455 . . . . 0.0 110.516 178.393 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -74.15 -34.51 63.87 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.273 178.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -28.38 64.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.556 0.693 . . . . 0.0 109.941 177.265 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.3 -13.97 60.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.085 -0.962 . . . . 0.0 112.042 -176.767 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.463 ' HB ' ' HH2' ' A' ' 150' ' ' TRP . 41.7 p -54.2 -45.07 72.1 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.977 0.418 . . . . 0.0 111.232 -179.548 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.03 94.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.449 176.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.91 -49.49 73.31 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.772 179.145 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.555 ' O ' HG13 ' A' ' 111' ' ' ILE . 25.2 m-85 -58.01 -50.95 71.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.416 179.516 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.444 ' O ' ' HB ' ' A' ' 111' ' ' ILE . 57.0 ttt180 -62.5 -46.57 87.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.035 -177.15 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.0 -35.24 80.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -65.64 -32.24 73.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.285 0.564 . . . . 0.0 109.922 177.321 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.7 mt -65.3 -40.11 87.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.153 177.746 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mp -78.18 -29.7 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.615 177.242 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.7 ttt180 -59.47 -31.12 69.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.873 -179.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.751 ' HB ' ' HG2' ' A' ' 84' ' ' ARG . 31.9 m -100.06 2.44 10.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.648 -179.317 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.898 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.2 mtmm -143.44 -91.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -177.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 70.13 -47.09 0.62 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.927 0.891 . . . . 0.0 112.911 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -88.61 24.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.48 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.898 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 56.4 mm-40 -93.69 173.83 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.19 -179.65 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.15 -74.48 0.09 Allowed 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.007 179.607 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -143.76 141.82 30.61 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.154 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 66.5 mt -119.57 99.7 49.67 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -88.92 125.4 1.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.123 2.548 . . . . 0.0 113.079 -177.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 6.7 mp -117.36 151.82 36.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.335 177.183 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.653 HD13 ' HG3' ' A' ' 153' ' ' GLN . 3.0 tp -133.92 115.94 15.01 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.235 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.485 HG22 HD23 ' A' ' 91' ' ' LEU . 6.5 t -84.03 118.64 31.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 CA-C-O 121.271 0.557 . . . . 0.0 110.377 -175.458 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.863 ' HB ' HG12 ' A' ' 92' ' ' VAL . 25.6 t -121.57 122.26 66.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.719 -176.492 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.46 111.24 3.52 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 173.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.403 ' OD1' ' HD3' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -89.28 145.83 25.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.14 0.47 . . . . 0.0 111.198 -174.452 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.597 ' HG2' ' C4 ' ' A' ' 500' ' ' GNP . 6.4 mppt? 61.5 40.37 13.82 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.126 178.522 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 67.9 m -72.81 30.67 0.06 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.232 0.539 . . . . 0.0 111.058 174.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 129' ' ' LYS . 28.8 t70 -87.78 -17.58 31.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.673 -179.459 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.491 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -68.37 -63.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.01 178.299 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.09 -57.14 0.61 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.607 0.763 . . . . 0.0 111.966 -177.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -19.32 60.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -173.1 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -104.82 15.09 28.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.552 0.215 . . . . 0.0 111.458 178.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 136' ' ' ARG . 32.7 ttm180 -69.51 112.38 5.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.468 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -99.08 -3.15 35.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.2 p -114.24 121.17 36.92 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-O 121.008 0.433 . . . . 0.0 110.557 176.79 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.71 118.12 4.95 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.623 2.215 . . . . 0.0 112.282 179.354 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' HA ' ' HB3' ' A' ' 143' ' ' ALA . 0.9 OUTLIER -67.2 -19.81 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.606 179.47 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -55.84 -52.87 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.546 179.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.478 ' HA ' ' HB3' ' A' ' 145' ' ' SER . 2.1 pt-20 -87.3 -18.4 30.26 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.893 178.625 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 140' ' ' VAL . . . -62.89 -44.51 95.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.174 0.512 . . . . 0.0 110.165 176.549 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -71.38 -36.16 71.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.919 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 142' ' ' GLU . 23.3 t -60.1 -35.96 76.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.811 176.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -61.33 -38.64 87.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.687 0.28 . . . . 0.0 111.1 176.26 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.494 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -61.73 -44.17 97.43 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 175.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.24 -41.09 92.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.119 175.618 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.88 -40.39 92.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.246 -179.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.463 ' HH2' ' HB ' ' A' ' 104' ' ' THR . 40.9 m0 -92.63 -7.61 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.687 -175.704 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 81.55 35.99 21.22 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.435 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.75 -178.63 2.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.568 0.223 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.653 ' HG3' HD13 ' A' ' 124' ' ' LEU . 9.1 pt20 -103.99 157.63 16.97 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.681 174.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 89.4 t80 -121.57 122.74 40.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.607 176.172 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.2 t -125.55 130.04 72.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.524 -178.008 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -93.09 140.28 29.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.6 p -127.95 130.44 48.43 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.115 0.483 . . . . 0.0 111.641 -174.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 163' ' ' ALA . 14.0 m -93.81 91.49 6.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.833 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.08 -1.36 12.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.194 -174.084 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.816 ' HB2' HN22 ' A' ' 500' ' ' GNP . 49.8 tptt -83.83 -18.49 37.43 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.699 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 19.0 p -130.75 3.85 4.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.29 -178.59 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.402 ' HA ' HG21 ' A' ' 165' ' ' VAL . 73.5 mtp180 62.32 24.25 14.42 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.559 -176.103 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 158' ' ' SER . . . -71.83 118.94 15.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.996 -178.249 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 163' ' ' ALA . 4.9 m-20 74.22 0.71 3.68 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.947 0.78 . . . . 0.0 111.719 177.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 88.4 t -68.72 -48.55 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.873 0.368 . . . . 0.0 111.448 -175.376 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -64.85 -34.42 78.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 -175.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -52.03 -51.71 55.61 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.084 -176.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 23.0 m -60.64 -27.37 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -171.323 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -74.93 -48.53 24.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.896 0.379 . . . . 0.0 110.512 178.142 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -67.8 -41.12 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -63.25 -51.37 66.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.999 -176.053 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.6 tp -61.64 -35.84 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.158 0.504 . . . . 0.0 110.554 -179.567 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.483 ' SD ' ' HB ' ' A' ' 64' ' ' ILE . 56.8 mtm -60.88 -30.63 70.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.153 177.905 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -66.45 -42.19 87.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.849 178.389 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 18.8 mt-10 -66.59 -37.38 84.8 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.234 177.813 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 172' ' ' LEU . 71.7 mt -56.81 -34.05 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.852 179.536 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -63.05 -49.03 76.14 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 177.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.3 m -62.45 -38.96 91.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 14.7 mptt -62.7 -44.49 96.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.914 177.784 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.33 -34.34 74.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.237 179.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 66.0 mtt -65.9 -37.23 85.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.9 m 71.44 145.98 0.07 Allowed 'General case' 0 C--O 1.232 0.157 0 O-C-N 124.295 0.997 . . . . 0.0 111.771 -179.483 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.648 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 7.4 tp10 -77.08 140.33 40.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.039 -178.205 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.76 -12.75 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.933 179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.648 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 24.1 pttm . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.7 -176.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.913 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 39.1 m -68.06 125.11 25.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.671 0.272 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.35 -70.7 0.57 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.912 -178.806 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.429 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 8.8 m -79.52 -29.98 41.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.232 0.539 . . . . 0.0 110.479 -177.746 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.913 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 64.7 mt-30 -64.2 -26.73 68.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.93 -179.422 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.74 -55.25 31.98 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.502 -177.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.12 -37.88 93.45 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.275 178.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.448 ' O ' HG13 ' B' ' 402' ' ' ILE . 29.5 mm -58.19 -50.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.625 0.25 . . . . 0.0 110.869 178.777 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' B' ' 403' ' ' ARG . 61.8 mttm -58.66 -45.62 88.96 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.545 -177.818 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -63.61 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.099 179.237 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.471 ' HG2' HD21 ' B' ' 439' ' ' LEU . 14.8 tt0 -68.0 -34.02 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.887 0.375 . . . . 0.0 110.158 178.839 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.662 ' HA ' HD23 ' B' ' 439' ' ' LEU . 45.5 mt -57.12 -51.44 69.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.346 173.599 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 399' ' ' LYS . 21.3 mmm180 -59.35 -32.97 70.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.681 -179.467 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.4 ttm180 -65.94 -48.4 71.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.424 177.917 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.78 -36.94 73.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.952 -175.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 67.9 mt-10 -61.28 -38.54 87.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -71.5 -43.25 66.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.099 176.591 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 71.0 mt -57.32 -46.47 83.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.306 178.716 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.604 HD11 ' OH ' ' A' ' 82' ' ' TYR . 21.9 tp -71.66 -36.88 70.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.405 -178.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 62.2 t30 -67.78 -43.15 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.951 179.824 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . 0.814 ' HA ' ' HE ' ' B' ' 414' ' ' ARG . 10.2 t -62.13 -42.65 99.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.39 -177.74 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.443 ' CB ' HD21 ' B' ' 429' ' ' LEU . 33.1 mt -63.78 -37.61 88.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.909 0.385 . . . . 0.0 110.443 174.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 17.4 m170 -61.67 -33.18 73.53 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.811 175.87 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.814 ' HE ' ' HA ' ' B' ' 411' ' ' SER . 80.3 mtm180 -74.34 -43.49 56.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.963 179.788 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.28 -51.63 69.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.935 -177.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.542 HD21 ' CG ' ' B' ' 425' ' ' LYS . 62.5 mt -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.755 -177.176 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.4 tt0 -72.43 -12.25 61.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.32 -177.254 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.34 0.45 89.67 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.41 177.81 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 105.69 -10.18 45.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.302 177.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 46.1 mt -89.07 143.21 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.537 ' HA ' HD22 ' B' ' 416' ' ' LEU . 0.5 OUTLIER -149.85 149.67 30.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.427 0.632 . . . . 0.0 111.737 175.053 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.617 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 23.9 t70 -148.24 163.08 38.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.396 175.745 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.67 -32.64 71.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.667 0.27 . . . . 0.0 110.98 -177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 16.8 t -64.61 -31.87 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.006 0.431 . . . . 0.0 109.866 178.627 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.617 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.6 mmtt -64.06 -54.23 37.36 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.318 0.58 . . . . 0.0 110.879 -176.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.432 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 11.2 pt-20 -64.81 -36.59 84.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.195 -175.12 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 47.6 mt-10 -65.56 -49.75 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 23.7 mmt180 -61.09 -39.86 91.54 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.62 179.245 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' B' ' 429' ' ' LEU . 9.5 mt -57.29 -42.94 82.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.591 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -67.0 -42.17 85.47 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.291 175.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.582 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 46.0 mt-10 -59.02 -55.44 35.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.306 -178.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 4.6 t -58.31 -35.41 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 109.799 -178.331 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.484 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 26.0 tp60 -56.73 -58.43 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.288 -178.7 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.611 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -70.85 -25.32 62.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.988 -178.766 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' B' ' 432' ' ' VAL . 81.9 mt -62.98 -49.94 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 173.644 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.02 -44.23 82.63 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 179.12 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.611 HG22 ' HA ' ' B' ' 434' ' ' ARG . 2.4 t -69.82 -40.45 75.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.399 -177.466 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -61.8 -35.44 78.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.5 0.667 . . . . 0.0 109.653 175.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.662 HD23 ' HA ' ' B' ' 402' ' ' ILE . 7.4 tp -66.81 -40.27 88.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.834 179.182 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.402 ' HG3' ' HE1' ' A' ' 51' ' ' TYR . 29.7 mmtp -63.85 -33.05 74.81 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.657 177.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -66.43 -44.32 83.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 175.164 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.3 mmmt -58.24 -37.16 74.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.829 178.043 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.457 ' HB2' HD11 ' B' ' 402' ' ' ILE . 3.2 tm? -62.62 -44.97 94.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.345 178.659 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -82.53 -2.35 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.402 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -93.28 -35.2 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.016 178.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.409 -0.805 . . . . 0.0 111.075 -176.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.816 HN22 ' HB2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 66.06 87.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.651 0.738 . . . . 0.0 111.281 -178.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.3 m -88.1 -3.83 58.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.664 173.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -77.94 20.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.23 179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.34 15.65 6.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 -178.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 12.9 3.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.24 0.543 . . . . 0.0 111.39 -179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.5 tp -135.74 115.71 13.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.676 176.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 13.7 m-70 -115.4 152.68 32.41 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.938 -179.763 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.909 ' HG2' ' HB2' ' A' ' 65' ' ' ASP . 35.0 mtmt -135.82 122.19 20.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.363 -179.867 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.04 128.73 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.256 0.55 . . . . 0.0 110.145 177.443 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 HG21 ' CE1' ' A' ' 83' ' ' PHE . 63.6 mt -102.2 124.33 56.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.52 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.516 ' HG3' ' HE2' ' A' ' 27' ' ' LYS . 60.7 tpp -88.04 111.82 21.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.949 179.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.14 150.32 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 0.0 111.002 -179.218 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.69 173.0 24.63 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -176.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.4 p -98.57 -175.29 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 117.37 0.585 . . . . 0.0 111.045 -178.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.01 35.33 2.75 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.31 -0.472 . . . . 0.0 113.424 -175.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.23 -15.41 1.01 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.676 178.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 t -75.86 -23.8 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.62 31.64 58.38 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.287 -174.198 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HE2' ' HG3' ' A' ' 19' ' ' MET . 11.4 ptmm? -58.11 -23.78 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.462 0.705 . . . . 0.0 112.663 -175.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.1 m -76.3 -25.77 55.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -175.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.42 -29.06 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.295 0.569 . . . . 0.0 110.182 178.012 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 HD23 ' HB2' ' A' ' 159' ' ' ALA . 87.5 mt -74.02 -35.66 64.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.749 -177.71 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.536 ' HA ' ' HZ ' ' A' ' 169' ' ' PHE . 23.7 p -67.57 -54.58 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 7.4 mp -70.56 -14.58 62.56 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.558 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.704 ' HA ' ' HB3' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.32 -30.39 68.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.193 177.014 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.97 -26.45 62.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.1 -178.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.737 ' HG3' ' HB2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -76.33 -35.03 58.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.854 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.471 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 76.9 m-85 -116.5 4.72 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -168.667 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.0 m-20 71.66 -58.0 0.59 Allowed 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.646 0.591 . . . . 0.0 110.201 -175.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -120.11 127.53 52.61 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.763 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.704 ' HB3' ' HA ' ' A' ' 33' ' ' GLN . 2.5 t80 -154.95 128.09 8.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.438 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.563 ' HB ' ' O ' ' A' ' 39' ' ' PHE . 5.4 p -176.28 107.79 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-O 121.955 0.883 . . . . 0.0 111.131 152.538 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -98.8 12.86 34.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.462 175.145 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 40' ' ' VAL . 1.9 t70 66.04 95.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.196 -173.407 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.67 134.9 46.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.078 -165.606 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.746 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 8.6 tp10 -126.45 -58.31 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 174.941 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.746 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 14.4 Cg_endo -55.9 103.76 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.381 2.054 . . . . 0.0 112.952 -176.67 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.69 79.61 0.64 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.345 179.214 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -88.54 -59.07 2.33 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.858 176.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.92 -31.78 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.722 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.22 149.94 48.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.148 -170.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.5 m -151.92 -177.47 6.16 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 178.028 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -127.22 142.09 51.57 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.296 -0.562 . . . . 0.0 112.389 -170.485 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.48 ' NH2' ' HB2' ' B' ' 434' ' ' ARG . 6.4 tpp180 -78.07 132.42 37.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.746 176.917 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.737 ' HB2' ' HG3' ' A' ' 35' ' ' MET . 57.1 tptt -127.8 132.37 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.176 175.363 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.61 131.68 52.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.577 174.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.406 HG13 ' HG3' ' A' ' 53' ' ' LYS . 26.5 m -140.36 149.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 -179.799 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.6 p -136.56 110.31 9.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.477 0.656 . . . . 0.0 110.492 173.307 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 tp -107.44 97.4 7.15 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 176.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.4 t70 48.98 81.76 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.058 -0.973 . . . . 0.0 111.386 -174.626 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.65 -126.34 1.71 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.986 -1.102 . . . . 0.0 114.23 178.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -113.63 169.07 9.24 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.202 0.201 . . . . 0.0 110.616 -173.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.32 107.82 2.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.579 -179.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.8 t -106.93 140.5 24.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.154 -178.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -113.69 153.16 29.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.962 0.41 . . . . 0.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.438 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 17.4 tt -134.82 131.79 53.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.962 -176.84 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.909 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 20.3 m-20 -90.8 126.69 36.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.011 176.726 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.1 mm -108.91 136.03 45.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.645 179.692 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 52.7 tp -129.76 109.21 10.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.704 0.288 . . . . 0.0 110.343 177.14 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.95 94.63 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.186 0.517 . . . . 0.0 110.054 176.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -61.07 138.34 58.2 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.291 -176.773 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -64.1 142.78 58.29 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.342 177.621 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.19 51.87 1.87 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.658 179.061 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HG ' ' HB1' ' A' ' 70' ' ' ALA . 0.8 OUTLIER -132.56 174.59 10.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.863 -0.168 . . . . 0.0 110.732 -178.822 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -102.96 12.75 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.117 0.484 . . . . 0.0 111.026 -178.391 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HB2' HD13 ' A' ' 72' ' ' LEU . 15.7 m-20 -87.16 -76.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.333 0.587 . . . . 0.0 112.095 -176.613 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -78.08 79.61 4.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.217 -169.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.42 -17.66 62.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.26 0.553 . . . . 0.0 110.565 174.321 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.842 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -74.78 -6.86 51.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.35 179.474 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.712 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 65.6 mt -104.09 -28.88 2.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 178.626 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -93.21 -64.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.98 178.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -74.64 -54.63 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.268 0.556 . . . . 0.0 111.274 -176.351 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.842 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 93.5 m-20 -72.35 -16.96 61.87 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.444 -172.484 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.883 ' HE2' ' HE1' ' B' ' 413' ' ' HIS . 0.1 OUTLIER -92.52 -25.35 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.883 -176.228 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.613 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -75.49 68.15 2.11 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -179.176 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' NH2' ' HE3' ' B' ' 421' ' ' LYS . 18.9 mmt180 -129.04 -67.45 0.78 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -177.672 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -84.22 32.45 0.5 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.395 -178.521 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.85 135.7 12.56 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.025 -179.058 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.473 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 3.5 mm-40 -84.73 -65.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.847 0.356 . . . . 0.0 110.206 -177.541 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.95 157.15 15.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.247 -175.285 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -123.82 132.49 53.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.189 0.519 . . . . 0.0 111.238 -178.402 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.7 mt -96.42 113.55 25.14 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.904 175.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD23 HG22 ' A' ' 125' ' ' VAL . 43.7 tp -100.74 106.58 18.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.307 -176.265 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.48 140.08 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.09 0.471 . . . . 0.0 111.612 -174.299 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -140.3 172.75 12.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.709 177.281 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.4 p -123.6 147.73 47.06 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.928 0.394 . . . . 0.0 110.66 179.316 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.658 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -81.01 -5.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.981 -175.901 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.602 HG21 HD22 ' A' ' 132' ' ' LEU . 1.1 p -94.78 -44.96 7.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.986 0.422 . . . . 0.0 110.435 174.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -85.96 93.26 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.677 178.354 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 46.5 t-80 -60.28 -24.18 64.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.129 -177.167 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -52.41 -48.65 65.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.066 177.162 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.8 p -67.1 -32.38 73.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.368 -175.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -66.25 -46.16 78.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.672 -179.589 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.1 m -72.71 -28.32 62.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.3 0.572 . . . . 0.0 110.434 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.21 -14.11 60.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.25 -177.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 p -50.37 -47.27 56.28 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.107 0.479 . . . . 0.0 111.403 -179.008 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.67 -42.09 95.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.561 178.098 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.54 -41.65 99.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.141 -179.428 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.473 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.9 m-85 -58.7 -48.13 82.18 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.429 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HA ' HD12 ' A' ' 111' ' ' ILE . 49.8 ttp180 -62.77 -41.82 99.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.821 -178.584 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.69 -35.32 79.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.179 179.014 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.76 -31.84 71.17 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.627 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 107' ' ' PHE . 83.2 mt -66.85 -52.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.643 176.294 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.547 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.5 mp -70.01 -13.63 62.31 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.984 0.421 . . . . 0.0 111.132 -179.145 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 113' ' ' ARG . 35.7 ttt180 -71.4 -35.61 71.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.182 0.515 . . . . 0.0 110.031 178.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.828 HG23 ' HG3' ' A' ' 115' ' ' LYS . 31.8 m -105.2 -25.16 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.072 -177.836 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.828 ' HG3' HG23 ' A' ' 114' ' ' VAL . 6.5 mtpm? -129.2 109.08 10.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.361 -179.044 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.95 14.11 0.81 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.748 0.309 . . . . 0.0 111.543 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -136.11 26.08 3.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 109.841 -177.011 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -96.24 -174.08 2.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.369 -175.209 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -72.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.167 172.329 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.735 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 73.9 mmtt -145.0 132.25 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.232 -177.073 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.6 mt -108.7 99.57 34.66 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.777 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.721 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 92.3 Cg_endo -84.68 136.39 6.23 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.906 2.404 . . . . 0.0 112.625 -179.551 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -121.58 149.33 43.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.43 179.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.771 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.5 tp -136.12 114.5 11.69 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.767 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.599 HG22 HD23 ' A' ' 91' ' ' LEU . 7.4 t -87.04 119.32 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-O 121.253 0.549 . . . . 0.0 109.679 -177.879 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.4 t -113.88 136.18 51.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.231 -175.52 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.18 117.8 5.98 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.215 175.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 129' ' ' LYS . 63.8 t30 -107.78 168.82 9.0 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -179.91 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.598 ' HB3' HD21 ' A' ' 132' ' ' LEU . 2.7 mptm? 73.0 31.65 1.46 Allowed 'General case' 0 C--O 1.223 -0.306 0 O-C-N 123.678 0.611 . . . . 0.0 111.489 -179.385 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.8 m -71.29 -2.46 16.27 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.83 -0.544 . . . . 0.0 110.366 176.598 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.45 -25.76 63.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.78 -177.059 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.602 HD22 HG21 ' A' ' 96' ' ' THR . 0.4 OUTLIER -81.52 -53.11 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.545 -177.743 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 66.26 -69.84 0.11 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.548 0.739 . . . . 0.0 112.153 -177.655 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.534 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.2 pt-20 -61.46 -27.05 68.29 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.127 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.534 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 27.9 mtp180 -92.0 18.05 8.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.517 -174.88 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.597 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 58.8 ttp180 -68.24 113.26 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.504 -179.765 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 36.6 tt0 -91.11 -29.55 17.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.623 -177.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.7 124.21 33.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 120.776 0.322 . . . . 0.0 110.756 179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.69 120.18 7.59 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.268 1.979 . . . . 0.0 110.895 175.753 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.0 p -71.94 -6.42 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.184 0.516 . . . . 0.0 110.82 -175.214 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.86 -52.78 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.563 176.411 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 146' ' ' LYS . 11.4 pt-20 -74.86 -21.52 59.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -178.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.49 -40.0 77.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 177.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 21.8 mtp180 -67.42 -39.13 85.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.176 0.513 . . . . 0.0 110.112 177.324 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.4 t -56.37 -34.49 66.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.878 176.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 75.2 mmtt -62.6 -47.94 81.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.816 178.027 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.84 -36.14 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.06 -178.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.28 -42.59 88.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.227 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -72.3 -25.16 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.524 -179.394 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -91.9 -4.34 54.85 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.187 -178.449 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 67.72 41.08 89.78 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.337 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.42 179.21 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 CA-C-O 120.873 0.368 . . . . 0.0 110.978 -179.254 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.771 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.83 149.19 24.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.787 176.346 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -127.44 114.95 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.129 0.49 . . . . 0.0 110.607 174.41 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 168' ' ' VAL . 1.4 p -135.71 142.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.048 178.231 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.21 153.43 22.63 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.017 0.437 . . . . 0.0 111.718 -176.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.0 p -141.16 166.58 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.508 179.111 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.9 m -152.67 116.23 4.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.632 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -86.13 -30.15 22.75 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.487 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.429 ' HD2' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -76.5 -23.03 53.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.933 0.397 . . . . 0.0 110.636 -175.6 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 2.1 p -106.97 -5.46 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.976 174.658 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HG3' ' OE1' ' A' ' 33' ' ' GLN . 6.5 mpt_? 60.16 80.66 0.2 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.474 -179.641 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -150.13 127.53 11.45 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 67.37 5.24 4.15 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 171.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.491 HG11 ' CB ' ' A' ' 33' ' ' GLN . 18.2 t -69.09 -37.1 76.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 120.883 0.373 . . . . 0.0 111.079 -175.473 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -72.04 -29.77 64.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.61 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.37 -48.08 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.289 -177.778 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.416 HG12 HG13 ' A' ' 155' ' ' VAL . 35.5 m -69.97 -29.22 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.683 -175.671 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.536 ' HZ ' ' HA ' ' A' ' 31' ' ' THR . 29.7 m-85 -70.38 -55.91 7.94 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.64 178.672 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 47.2 m-85 -61.12 -34.68 75.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.24 -178.122 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -60.9 -51.96 67.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.025 -178.22 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.518 ' O ' HG13 ' A' ' 176' ' ' ILE . 41.3 tp -69.47 -34.66 74.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.18 0.515 . . . . 0.0 110.246 179.181 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.6 mtp -61.05 -32.25 71.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 178.165 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 27.4 mmt180 -68.41 -43.08 77.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.606 175.935 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 2.0 mt-10 -60.69 -34.68 74.71 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 123.392 0.433 . . . . 0.0 111.499 179.078 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 172' ' ' LEU . 72.5 mt -55.88 -32.43 32.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.391 -178.632 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 71.2 mtm180 -61.91 -52.85 62.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.394 179.584 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 7.9 m -65.84 -34.5 78.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.712 -178.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.735 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.7 mptt -68.84 -42.28 77.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.088 -179.388 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -75.02 -29.94 60.95 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 179.513 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 72.6 mtm -78.78 -20.8 48.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.795 177.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 7.7 t 65.12 -146.59 0.24 Allowed 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.785 0.678 . . . . 0.0 109.885 177.559 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 14.9 tp10 -77.78 -58.53 3.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.645 -179.443 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 47.38 25.76 0.64 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.442 1.097 . . . . 0.0 112.674 -177.069 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 183' ' ' GLU . 31.4 mmmt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.259 178.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.841 -0.504 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.795 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 3.7 p -85.61 62.38 7.43 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.873 0.368 . . . . 0.0 110.314 177.135 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -51.03 -60.1 3.46 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.854 -174.261 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 19.1 m -88.79 -28.11 20.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.499 -178.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.795 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 80.3 mt-30 -62.53 -29.9 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.006 -178.69 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.73 -54.61 31.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.088 178.418 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.24 -37.1 92.63 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.136 -179.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.424 ' O ' HG13 ' B' ' 402' ' ' ILE . 42.7 mm -58.18 -50.5 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 110.113 177.457 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.474 ' HA ' HD12 ' B' ' 402' ' ' ILE . 60.1 mttm -61.31 -34.77 75.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.383 -178.89 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 43.0 mt-10 -61.55 -48.64 80.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.881 178.387 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.463 ' HG2' ' NH2' ' B' ' 404' ' ' ARG . 18.8 mt-10 -68.49 -32.46 72.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 88.3 mt -57.17 -52.95 49.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.55 -38.0 71.3 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 178.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.463 ' NH2' ' HG2' ' B' ' 401' ' ' GLU . 34.6 ttm180 -62.72 -44.81 95.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.855 -178.95 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.481 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.2 mm-40 -75.85 -31.3 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.327 -178.376 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.1 mt-10 -60.37 -41.7 94.28 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.154 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.12 -52.34 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.402 176.588 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HB2' HG21 ' B' ' 432' ' ' VAL . 93.5 mt -58.2 -48.31 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.693 179.642 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.454 ' HG ' ' NE2' ' B' ' 413' ' ' HIS . 18.9 tp -61.63 -45.96 91.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.168 -179.414 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -56.2 -44.4 79.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.086 179.517 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 17.6 t -60.77 -54.73 41.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.265 -178.591 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.592 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.6 mm? -57.86 -31.91 67.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.862 0.363 . . . . 0.0 111.374 178.615 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.883 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 10.9 m-70 -69.45 -46.58 66.38 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.855 176.27 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -70.73 -52.93 17.68 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -176.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -58.84 -40.67 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 111.491 -175.24 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -74.17 -25.87 59.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.916 -177.548 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -63.15 -20.52 65.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 110.68 176.188 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -75.04 -3.78 70.03 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.251 177.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.51 -0.38 59.72 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.07 178.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 45.3 mt -97.5 116.42 39.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.415 ' HE3' ' NH2' ' A' ' 84' ' ' ARG . 25.5 pttm -138.45 153.1 48.84 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.292 0.568 . . . . 0.0 110.263 177.445 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 19.9 t70 -148.03 163.31 37.27 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.8 mp -63.68 -29.24 70.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.8 -178.004 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 15.8 t -65.42 -34.97 79.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 44.3 mmtt -73.35 -47.36 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.471 -177.228 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 32.6 mt-10 -61.78 -47.75 83.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.957 -175.199 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.72 -36.01 82.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.462 175.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.531 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 tpt180 -66.53 -39.99 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.474 179.036 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.39 -53.17 60.51 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.48 179.358 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.474 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 56.0 m95 -64.9 -34.09 77.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.88 0.372 . . . . 0.0 110.794 178.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.662 ' HA ' ' HD2' ' B' ' 434' ' ' ARG . 37.2 tt0 -67.83 -56.65 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.035 -175.174 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.68 HG21 ' HB2' ' B' ' 408' ' ' LEU . 6.2 p -64.41 -33.96 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.289 0.566 . . . . 0.0 110.013 -178.85 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -55.83 -51.38 67.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.805 177.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.672 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.3 OUTLIER -70.85 -26.82 63.44 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.132 -175.314 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' B' ' 432' ' ' VAL . 33.6 mt -69.69 -47.11 72.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 174.242 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' B' ' 405' ' ' GLN . 2.8 tm? -58.53 -43.91 89.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.697 178.698 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.672 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.4 t -73.23 -30.23 63.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.656 0.265 . . . . 0.0 111.177 -177.007 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.15 -38.26 85.21 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 174.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.6 -34.34 78.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.289 175.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 35.2 mmtp -61.74 -41.48 97.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.276 0.56 . . . . 0.0 110.049 175.041 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 3.6 tmt_? -67.09 -42.43 84.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.376 178.806 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.3 mmmt -58.67 -34.68 71.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.045 176.487 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.74 -46.64 87.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.781 178.837 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.461 HH11 ' HD3' ' B' ' 444' ' ' ARG . 37.3 mtt180 -81.64 -1.94 48.48 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.687 178.714 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -85.97 -33.26 21.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.224 0.535 . . . . 0.0 109.752 174.625 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.831 -179.984 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.825 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -150.16 176.23 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.726 0.263 . . . . 0.0 110.573 -179.609 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.7 p -75.59 -40.85 55.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.035 0.445 . . . . 0.0 111.075 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 p -87.77 89.31 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.01 -176.785 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 180' ' ' LYS . 0.3 OUTLIER -138.07 60.39 1.62 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.82 0.819 . . . . 0.0 109.599 172.299 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.22 20.75 6.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.366 -174.682 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.0 tp -123.0 101.86 7.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.023 0.44 . . . . 0.0 109.858 177.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -112.99 133.88 54.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 -171.268 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.777 ' HB2' ' HG2' ' A' ' 87' ' ' GLU . 0.4 OUTLIER -96.88 125.32 41.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.501 0.191 . . . . 0.0 110.822 177.775 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.3 t -123.68 110.24 25.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.57 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.7 mt -101.97 118.45 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.553 -178.017 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.691 ' HG2' HD12 ' A' ' 90' ' ' LEU . 86.4 mtp -89.94 122.92 33.41 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.694 178.763 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 92' ' ' VAL . 34.8 m -117.54 152.81 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.964 0.412 . . . . 0.0 110.817 -176.723 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -172.15 167.67 40.67 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -178.883 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 14.8 t -58.92 -63.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.9 0.35 . . . . 0.0 110.55 -177.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.537 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -122.26 24.46 6.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.033 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' HA2' ' HE3' ' A' ' 27' ' ' LYS . . . 65.57 44.29 93.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.764 -179.661 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.73 -64.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -175.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' HA2' " O2'" ' A' ' 500' ' ' GNP . . . -132.19 33.51 2.68 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.268 -177.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.786 ' HG2' HG21 ' A' ' 92' ' ' VAL . 4.8 mtmp? -79.16 -21.98 45.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.866 0.365 . . . . 0.0 110.604 -176.568 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.5 m -92.71 -17.88 23.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.316 176.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.21 -54.62 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.399 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HB2' ' A' ' 159' ' ' ALA . 93.1 mt -64.82 -35.66 81.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -177.082 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.63 ' O ' ' HG3' ' A' ' 35' ' ' MET . 2.5 p -70.46 -37.14 74.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.382 -178.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HG ' HG22 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -60.38 -43.96 96.1 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 109.928 176.934 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.699 HE22 ' HA ' ' A' ' 39' ' ' PHE . 76.3 mm-40 -62.6 -37.26 85.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.953 177.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.573 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 36.0 t80 -72.36 -12.43 61.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.021 -178.886 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.63 ' HG3' ' O ' ' A' ' 31' ' ' THR . 89.1 mtp -97.39 -65.62 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.705 0.288 . . . . 0.0 111.699 -178.364 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB2' ' HG2' ' A' ' 38' ' ' GLU . 97.6 m-85 -118.88 2.5 11.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.684 -174.172 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 62.71 18.2 10.42 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.447 0.467 . . . . 0.0 111.722 179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 36' ' ' TYR . 12.0 pt-20 -106.14 155.78 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 110.494 179.549 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.699 ' HA ' HE22 ' A' ' 33' ' ' GLN . 54.0 t80 -80.03 148.33 31.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.352 -177.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HG ' ' A' ' 32' ' ' LEU . 33.5 t -69.94 108.09 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.175 -177.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -91.22 -65.84 0.98 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 172.578 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -148.94 110.03 4.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.807 0.813 . . . . 0.0 110.061 172.244 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -160.32 91.5 0.93 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.844 176.074 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.7 mm-40 -90.39 -34.58 0.38 Allowed Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.074 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 44' ' ' GLU . 75.1 Cg_exo -43.71 94.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.366 1.473 0 C-N-CA 122.479 2.12 . . . . 0.0 113.925 177.575 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.422 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.4 p -154.72 22.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.271 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.08 -55.87 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.694 -175.221 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.31 26.91 6.73 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 171.299 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.01 93.79 4.66 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.984 -170.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -97.8 171.12 8.51 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 172.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -148.27 150.48 33.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.899 0.381 . . . . 0.0 110.629 177.32 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -95.2 105.97 17.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.125 177.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.573 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 58.8 tptt -101.41 123.9 46.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.113 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 1.1 tmmt? -107.57 120.36 41.98 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.008 178.218 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.7 m -127.64 143.8 39.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.908 -179.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.9 p -98.57 102.4 13.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.944 0.878 . . . . 0.0 109.967 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.6 tp -97.87 99.74 11.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.029 -177.263 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 49.97 70.46 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.93 -51.32 1.16 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.65 -0.786 . . . . 0.0 114.277 172.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -96.08 135.43 37.87 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 117.531 0.665 . . . . 0.0 111.279 -173.375 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.615 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 45.1 mt-10 -82.69 108.13 15.84 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.706 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.99 151.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.666 -172.452 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -114.11 139.4 49.35 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.184 0.516 . . . . 0.0 110.116 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -128.75 130.01 68.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.67 -176.622 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 6.5 m-20 -87.73 117.46 26.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.379 178.598 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.26 121.8 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.968 0.413 . . . . 0.0 110.323 177.336 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -121.3 103.91 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.776 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 35.6 t0 -85.11 91.33 8.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.289 -176.751 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 79' ' ' ARG . 34.9 p -60.02 153.04 22.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.568 -176.76 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.01 153.15 27.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.08 175.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.537 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -99.08 54.01 1.02 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.124 -178.76 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -160.11 152.22 20.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 110.847 179.408 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -79.65 -13.13 59.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.507 179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.469 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.8 m-20 -54.11 -64.14 0.92 Allowed 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 110.264 175.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.592 ' H ' HD13 ' A' ' 72' ' ' LEU . 89.5 m-85 -93.49 55.76 2.29 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.351 179.397 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -18.39 62.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.916 178.06 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.73 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -72.12 -7.42 48.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.381 176.802 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG12 ' CE1' ' B' ' 413' ' ' HIS . 78.4 mt -100.47 -41.86 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.225 0.536 . . . . 0.0 110.121 176.243 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HA ' HG22 ' A' ' 69' ' ' THR . 34.0 ttp180 -91.58 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.785 -173.676 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.01 -42.85 65.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.517 -166.793 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.73 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -67.42 -42.33 83.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 111.836 -175.151 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.458 ' OH ' HD21 ' B' ' 409' ' ' LEU . 28.7 m-85 -62.53 -15.73 52.12 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -176.611 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.611 ' HB3' HG21 ' A' ' 114' ' ' VAL . 15.0 m-30 -59.01 -28.28 66.25 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.53 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.461 ' NH2' ' HA ' ' A' ' 81' ' ' ASN . 1.9 mpp_? -53.72 -52.26 60.69 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.281 0.363 . . . . 0.0 111.904 -175.207 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.536 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 15.0 m -93.84 21.52 6.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -178.528 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -88.88 143.13 17.38 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.603 -179.094 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 16' ' ' LYS . 50.6 mm-40 -88.96 -75.63 0.43 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -116.27 157.19 15.18 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -178.325 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -128.54 132.21 48.26 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.049 0.452 . . . . 0.0 111.291 -174.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 19' ' ' MET . 82.6 mt -99.88 105.7 17.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 178.239 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.1 mp -80.7 106.67 12.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 176.225 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.836 HG12 ' HB ' ' A' ' 126' ' ' VAL . 32.8 m -107.21 134.3 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.226 0.536 . . . . 0.0 111.314 -177.77 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -143.81 150.53 38.65 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' OG ' ' HB2' ' A' ' 97' ' ' GLU . 3.2 p -100.95 148.57 24.85 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.751 177.399 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.674 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.57 -7.73 10.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.584 -178.314 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.502 ' CG2' HD22 ' A' ' 132' ' ' LEU . 1.6 p -94.97 -45.96 7.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.068 175.551 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HB2' ' OG ' ' A' ' 94' ' ' SER . 2.1 mp0 -81.44 91.55 6.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.006 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -65.2 -30.51 71.42 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.458 -172.255 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.83 -19.38 63.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 111.081 -175.445 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.508 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.8 m -66.11 -30.26 70.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.946 0.403 . . . . 0.0 110.739 178.205 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.649 ' HZ ' ' HG3' ' A' ' 146' ' ' LYS . 69.2 t80 -74.44 -24.53 59.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.312 0.577 . . . . 0.0 110.431 -179.235 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.9 -37.66 62.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.295 0.569 . . . . 0.0 109.59 176.264 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.39 85.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.229 -179.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.743 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 12.4 p -59.33 -28.48 66.86 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.045 0.45 . . . . 0.0 111.469 -179.814 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -48.64 68.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 178.296 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -71.8 -25.11 61.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.57 -179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.743 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 12.8 m-30 -55.82 -38.15 69.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.134 -177.726 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' HD2' ' CD2' ' A' ' 150' ' ' TRP . 74.9 mtp180 -53.31 -59.1 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.394 178.201 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.99 -32.13 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.638 -177.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.69 -34.64 76.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.901 0.382 . . . . 0.0 110.296 -179.644 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.9 mt -72.98 -39.94 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.511 177.096 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -69.54 -15.16 63.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 176.085 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -76.17 -32.3 58.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 176.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 83' ' ' PHE . 34.0 m -100.35 -28.1 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.356 -179.062 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 32.0 mtmt -129.38 110.58 12.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 177.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.67 1.65 1.18 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.44 173.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.01 23.23 6.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.011 0.434 . . . . 0.0 110.745 -177.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.602 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -109.39 -168.09 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.652 -177.794 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 5.5 m-20 -63.99 -72.43 0.14 Allowed 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.854 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.944 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 56.9 mmtt -159.27 150.59 20.13 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.662 0.267 . . . . 0.0 110.512 -179.654 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.9 mt -114.4 101.85 54.45 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -176.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 132.77 4.69 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.998 2.465 . . . . 0.0 112.174 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HB2' HG11 ' A' ' 152' ' ' VAL . 6.1 mp -127.5 150.42 49.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.33 178.742 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.834 HD13 ' HG2' ' A' ' 153' ' ' GLN . 4.4 tp -144.54 122.47 12.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 176.165 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.465 ' N ' HD12 ' A' ' 124' ' ' LEU . 10.8 t -90.15 118.87 36.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.229 0.537 . . . . 0.0 109.715 179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.836 ' HB ' HG12 ' A' ' 92' ' ' VAL . 40.2 t -109.15 112.81 42.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.835 -174.903 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -87.78 115.25 4.31 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 175.598 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.3 173.6 6.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 117.044 0.422 . . . . 0.0 111.551 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 131' ' ' ASP . 0.2 OUTLIER 74.14 26.56 1.65 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.884 178.224 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.6 m -72.52 36.22 0.07 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.294 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 129' ' ' LYS . 32.9 t70 -103.47 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.303 0.573 . . . . 0.0 110.222 178.517 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.546 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -71.3 -50.61 30.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.227 -179.28 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 66.84 -72.43 0.09 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.375 0.67 . . . . 0.0 112.211 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -78.8 17.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -174.19 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HB2' HD13 ' A' ' 132' ' ' LEU . 63.7 mtp180 -124.07 14.92 9.16 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.855 0.359 . . . . 0.0 110.344 176.642 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.601 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 20.8 ttm180 -67.4 113.14 5.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.083 0.468 . . . . 0.0 110.145 -179.066 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -87.55 -33.64 18.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.064 -175.658 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.48 129.36 24.6 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.861 -176.802 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.452 ' HG2' ' HG2' ' A' ' 142' ' ' GLU . 11.5 Cg_endo -56.37 110.43 0.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.676 2.251 . . . . 0.0 111.024 174.232 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.0 OUTLIER -73.09 -16.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.879 0.371 . . . . 0.0 111.026 -173.197 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -63.95 -49.24 73.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 177.831 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.452 ' HG2' ' HG2' ' A' ' 139' ' ' PRO . 0.1 OUTLIER -69.11 -26.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.337 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.74 -38.09 88.16 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.415 175.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.3 mtp180 -64.88 -41.11 95.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.178 0.513 . . . . 0.0 109.774 174.608 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.4 t -61.69 -39.19 90.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.431 177.861 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.649 ' HG3' ' HZ ' ' A' ' 101' ' ' PHE . 45.0 mmtm -58.6 -53.13 61.77 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.761 176.287 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.12 72.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.707 -178.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.14 -39.88 95.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.271 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -66.55 -39.51 88.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.212 0.529 . . . . 0.0 110.553 178.465 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.457 ' CD2' ' HD2' ' A' ' 108' ' ' ARG . 40.3 m0 -71.98 -12.64 61.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 -179.681 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 80.56 30.17 41.23 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.938 -178.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.461 HG11 ' HB2' ' A' ' 123' ' ' LEU . 35.2 m -127.57 179.57 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-O 121.078 0.466 . . . . 0.0 111.294 -177.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.834 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.9 OUTLIER -106.16 151.89 24.16 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.818 176.632 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -120.28 127.03 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.861 174.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.0 t -126.94 134.97 64.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -178.504 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -85.57 124.07 31.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.783 174.105 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.0 p -126.72 136.26 52.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.373 0.606 . . . . 0.0 111.961 -175.011 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.5 m -123.83 105.38 9.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.194 176.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.422 ' HB2' HD23 ' A' ' 30' ' ' LEU . . . -79.48 -3.71 47.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.237 0.541 . . . . 0.0 110.291 179.552 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -77.89 -44.31 27.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.833 -179.856 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.0 t -107.17 7.65 29.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.746 179.839 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 59.41 57.75 3.23 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.164 -179.103 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -119.43 125.56 49.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.359 -177.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 70.37 15.09 7.4 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.1 0.875 . . . . 0.0 112.036 175.332 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 33' ' ' GLN . 56.5 t -67.23 -45.81 85.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.942 0.401 . . . . 0.0 110.255 178.738 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.56 -43.54 98.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.594 -179.486 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -46.96 -56.48 6.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.289 -177.178 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.58 -32.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -172.834 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -75.23 -51.36 13.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.348 179.756 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.544 ' HA ' ' HG2' ' A' ' 173' ' ' MET . 44.1 m-85 -69.58 -37.49 76.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.673 -175.752 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -62.79 -45.48 92.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.389 . . . . 0.0 110.517 -177.598 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.94 -42.55 66.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.454 -178.519 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.544 ' HG2' ' HA ' ' A' ' 170' ' ' PHE . 17.7 ptp -64.29 -28.78 69.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.723 -176.748 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -59.1 -51.13 71.36 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.535 177.331 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.628 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.2 mm-40 -54.03 -37.32 63.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 111.421 178.773 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 173' ' ' MET . 67.0 mt -56.28 -29.44 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.447 -177.677 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -66.74 -53.4 33.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.9 m -64.79 -34.57 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.828 -176.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.944 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 11.3 mptt -59.23 -49.71 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.66 177.576 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 12' ' ' LEU . 66.8 mttm -75.17 -32.67 61.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.883 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 67.5 mtt -71.01 -26.23 63.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.851 0.358 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 77.0 p 54.02 -95.7 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.195 0.998 . . . . 0.0 112.906 176.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -121.33 107.3 12.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.387 . . . . 0.0 110.968 -175.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . 0.509 ' C ' HD22 ' A' ' 184' ' ' ASN . 0.3 OUTLIER -163.99 23.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.123 177.394 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 15.2 pttp . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.61 -177.394 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.904 -0.479 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.2 p -75.66 -13.23 60.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.739 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.22 -46.72 82.68 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 109.137 176.287 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.704 ' O ' HG12 ' B' ' 398' ' ' ILE . 34.3 m -68.88 -49.9 54.28 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.639 179.098 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -55.28 -38.87 69.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.037 0.446 . . . . 0.0 110.62 -178.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.14 -52.79 64.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.687 175.743 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.63 -35.45 91.86 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.262 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.704 HG12 ' O ' ' B' ' 394' ' ' THR . 45.6 mm -58.27 -49.72 80.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.909 0.385 . . . . 0.0 110.569 178.14 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -59.33 -38.85 81.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.196 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.87 -39.64 83.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.928 178.03 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' B' ' 439' ' ' LEU . 50.6 mt-10 -65.62 -43.37 89.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.853 176.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.664 HG12 ' HB3' ' B' ' 439' ' ' LEU . 86.4 mt -55.72 -53.14 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 176.303 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -54.84 -41.22 70.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.892 178.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 71.0 ttt180 -59.88 -52.03 67.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.707 178.163 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.49 ' HB2' HD13 ' B' ' 436' ' ' LEU . 75.1 mm-40 -70.54 -33.32 71.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.73 -176.082 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.469 ' HG2' HD21 ' B' ' 436' ' ' LEU . 44.0 mt-10 -60.12 -47.96 83.73 Favored 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 176.67 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -66.77 -42.53 85.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.842 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 96.0 mt -58.74 -47.91 83.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.03 0.443 . . . . 0.0 110.452 178.32 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.621 HD23 HG13 ' B' ' 432' ' ' VAL . 3.2 tm? -72.41 -36.89 68.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.446 -179.037 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -64.92 -40.33 94.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 177.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 26.6 t -59.71 -49.65 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.042 178.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 70.3 mt -58.51 -40.52 83.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.119 0.485 . . . . 0.0 110.539 176.097 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.423 ' CE1' HG12 ' A' ' 78' ' ' ILE . 5.1 m170 -62.79 -45.54 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.777 -179.497 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -76.94 -30.12 55.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.17 -53.47 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.24 0.543 . . . . 0.0 110.984 178.443 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.592 HD12 HD11 ' B' ' 429' ' ' LEU . 70.3 mt -68.5 -25.95 65.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.624 -176.142 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.97 -17.0 62.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.639 179.336 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.17 12.47 62.28 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.115 178.291 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.52 -31.72 7.78 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.706 -0.558 . . . . 0.0 111.706 179.628 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 50.4 mt -58.19 137.6 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.824 0.45 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.481 ' HA ' HD22 ' B' ' 416' ' ' LEU . 8.8 ptpp? -159.98 149.62 18.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.278 0.561 . . . . 0.0 111.161 174.431 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.7 t70 -150.41 159.15 44.67 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.035 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.451 HD23 ' H ' ' B' ' 423' ' ' LEU . 2.6 pt? -64.1 -29.26 70.4 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.245 -179.834 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 4.7 m -64.78 -31.74 73.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.178 0.513 . . . . 0.0 110.269 178.812 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 31.6 mmtt -69.37 -53.32 20.07 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.094 -178.656 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.66 -46.3 84.43 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.188 -174.463 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -66.91 -41.22 87.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.908 -178.307 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.538 ' O ' HG12 ' B' ' 432' ' ' VAL . 26.0 tpt180 -70.7 -31.63 68.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.35 -179.386 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.592 HD11 HD12 ' B' ' 416' ' ' LEU . 14.4 mt -55.81 -56.41 20.91 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.933 179.053 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.61 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 53.8 m95 -61.43 -41.79 97.74 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.43 0.456 . . . . 0.0 111.183 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 28.2 mm-40 -64.22 -56.44 14.62 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -176.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.621 HG13 HD23 ' B' ' 409' ' ' LEU . 14.8 p -62.1 -34.29 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.271 0.558 . . . . 0.0 109.945 -178.685 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -57.31 -53.37 58.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.042 177.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.748 ' HA ' HG22 ' B' ' 437' ' ' THR . 0.0 OUTLIER -71.94 -26.68 62.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.023 -178.426 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.0 mt -65.91 -45.93 89.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.49 HD13 ' HB2' ' B' ' 405' ' ' GLN . 26.6 tp -58.1 -42.67 86.19 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 175.752 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.748 HG22 ' HA ' ' B' ' 434' ' ' ARG . 14.8 t -73.56 -31.14 63.47 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.517 -179.079 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -65.84 -36.45 83.5 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 173.327 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.985 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -63.23 -38.29 90.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.946 176.019 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.92 -34.06 76.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.086 0.469 . . . . 0.0 110.027 177.089 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -64.97 -46.45 81.45 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.985 ' HD3' HD13 ' B' ' 439' ' ' LEU . 48.2 mtpt -59.06 -36.11 74.48 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.781 178.156 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' B' ' 402' ' ' ILE . 2.3 tm? -66.26 -41.69 89.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.458 -179.554 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -82.08 -5.18 58.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.111 0.481 . . . . 0.0 110.568 178.505 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -88.49 -34.72 17.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.179 179.354 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.798 -178.08 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.444 " H1'" ' HB2' ' A' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 112.22 -0.352 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -84.29 -40.28 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.742 0.306 . . . . 0.0 110.969 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -164.87 -72.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.069 -179.703 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -144.83 66.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 175.923 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.6 mt -124.44 -19.09 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.329 -176.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -90.55 10.91 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.567 0.699 . . . . 0.0 110.532 177.863 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 0.7 OUTLIER -139.14 129.91 26.14 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.013 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -129.31 152.45 48.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.905 0.383 . . . . 0.0 111.05 -175.598 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.9 OUTLIER -122.02 109.01 14.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.3 177.639 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.55 119.24 57.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.143 179.899 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 83' ' ' PHE . 62.5 mt -115.02 131.62 66.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.3 mtt -92.66 117.38 29.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.082 0.468 . . . . 0.0 110.107 175.105 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.1 m -97.95 133.25 40.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.776 -178.728 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.07 157.4 29.62 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.78 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 p -72.98 -82.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.661 0.267 . . . . 0.0 111.174 -176.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.74 -74.26 1.25 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.69 179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -154.49 66.11 0.32 Allowed Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.668 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.747 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.5 t -83.41 49.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.217 0.532 . . . . 0.0 110.456 179.842 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.13 15.76 74.67 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.632 179.482 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB3' HG21 ' A' ' 92' ' ' VAL . 59.4 pttt -76.06 15.02 0.6 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -175.681 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -130.28 -14.23 3.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.782 0.325 . . . . 0.0 110.799 173.06 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' HB2' H5'1 ' A' ' 500' ' ' GNP . . . -72.83 -55.49 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.662 -174.169 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.02 -36.63 80.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.401 -174.281 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 p -64.7 -40.85 96.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.716 179.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' VAL . 22.4 tp -64.78 -42.45 95.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 179.149 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 86.2 mt-30 -65.39 -35.94 82.46 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 177.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.19 -39.11 68.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.877 0.37 . . . . 0.0 111.225 179.029 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.515 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 60.2 mtm -83.15 -50.74 8.15 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.106 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 80.8 m-85 -105.54 -3.05 22.86 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 21.8 t70 74.91 -15.31 0.66 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.113 0.565 . . . . 0.0 111.976 178.239 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -96.13 154.07 17.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.176 0.513 . . . . 0.0 111.26 -172.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HD1' ' NE2' ' A' ' 33' ' ' GLN . 83.8 t80 -77.5 152.51 34.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.236 -0.893 . . . . 0.0 108.825 175.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' HA ' HD23 ' A' ' 32' ' ' LEU . 33.4 t -59.08 99.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.242 0.544 . . . . 0.0 111.43 -177.365 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -90.48 -47.77 7.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 173.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -169.3 120.47 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.576 175.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 9.4 t80 -134.14 101.61 5.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.77 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 41.9 tt0 -78.03 -56.24 1.08 Allowed Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.708 -177.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 15.7 Cg_endo -56.93 118.92 5.86 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 122.106 1.871 . . . . 0.0 111.626 179.293 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -165.2 0.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -174.524 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HE3' HD21 ' A' ' 72' ' ' LEU . 38.7 mmtm -84.88 -59.65 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.5 176.415 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -127.25 -5.88 6.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.31 0.576 . . . . 0.0 110.694 172.559 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -91.36 87.36 6.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.47 -173.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -101.58 -171.77 2.04 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 173.493 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' HB3' ' SD ' ' A' ' 35' ' ' MET . 78.2 t80 -132.59 137.95 47.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.992 0.425 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.552 HH21 ' HB2' ' B' ' 434' ' ' ARG . 29.8 ttm180 -88.97 119.89 29.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 58.6 tptt -97.87 133.63 42.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.781 -176.56 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -100.25 126.54 46.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.185 175.271 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -128.89 178.27 5.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.511 HG23 ' C ' ' A' ' 60' ' ' GLU . 3.7 p -140.88 103.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-O 121.524 0.678 . . . . 0.0 109.462 172.402 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.478 ' H ' HG23 ' A' ' 62' ' ' VAL . 34.5 tp -88.5 97.27 10.99 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.109 -173.444 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 42.79 63.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 124.342 1.026 . . . . 0.0 112.24 177.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.94 -89.61 0.2 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 119.344 -1.408 . . . . 0.0 114.418 177.336 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' C ' HG23 ' A' ' 56' ' ' VAL . 15.3 pt-20 -101.13 154.8 18.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.618 0.247 . . . . 0.0 110.519 -172.467 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -69.44 128.3 36.05 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.282 0.563 . . . . 0.0 110.41 -179.407 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 57' ' ' LEU . 2.2 t -112.5 143.53 22.04 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.794 -174.807 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 11.4 mm100 -112.15 119.14 37.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.864 -177.432 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.4 tt -109.12 116.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.38 0.609 . . . . 0.0 109.659 177.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' HB3' ' HE3' ' A' ' 16' ' ' LYS . 26.1 t0 -95.4 120.66 36.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.149 -176.734 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.6 mm -108.27 143.49 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.014 0.435 . . . . 0.0 111.331 -171.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.535 ' HB2' ' HH2' ' B' ' 430' ' ' TRP . 59.6 tp -122.85 112.99 18.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.306 172.776 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -91.04 115.73 28.24 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 176.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 30.0 p -86.48 134.2 33.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 111.776 -173.568 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.4 150.66 25.81 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.671 176.283 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.74 51.99 4.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.888 178.672 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.612 HD21 ' HE3' ' A' ' 47' ' ' LYS . 1.5 pp -158.41 169.08 25.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 0.0 111.071 -177.476 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -102.81 -13.7 16.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.963 175.343 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -44.01 -70.2 0.11 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.146 -0.934 . . . . 0.0 113.431 -176.026 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 77' ' ' ALA . 24.0 m-85 -61.24 -20.12 62.45 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.698 -170.608 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.21 -65.91 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.873 1.358 . . . . 0.0 112.689 176.595 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.973 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.57 -31.34 24.21 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 124.264 1.026 . . . . 0.0 112.351 -176.673 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.599 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 50.9 mt -67.18 -32.99 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.973 0.416 . . . . 0.0 110.209 178.818 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -94.61 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.433 178.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.5 -46.68 21.69 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -170.199 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.973 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 27.6 m-80 -71.89 -22.63 61.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -172.619 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.599 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -82.13 -30.97 30.82 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.666 ' HB2' HG21 ' A' ' 114' ' ' VAL . 17.8 m-30 -65.57 -15.39 62.67 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -172.799 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -53.47 -53.56 49.62 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.726 0.298 . . . . 0.0 111.393 -179.464 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.4 t -94.26 43.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.649 0.738 . . . . 0.0 109.761 176.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.59 157.61 21.34 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.729 -0.668 . . . . 0.0 112.118 178.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -121.02 -81.42 0.64 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -178.038 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.14 146.04 16.07 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 -179.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -126.82 135.68 51.34 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.198 0.523 . . . . 0.0 111.345 -176.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' A' ' 124' ' ' LEU . 90.7 mt -102.1 117.12 34.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.807 175.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.632 HD21 HD23 ' A' ' 123' ' ' LEU . 64.5 mt -86.79 106.76 17.92 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.849 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 27' ' ' LYS . 26.9 m -102.13 121.89 53.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.187 0.518 . . . . 0.0 111.334 -176.521 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.747 ' HA ' HG11 ' A' ' 25' ' ' VAL . 10.4 p90 -143.33 151.28 40.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.839 176.165 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 t -110.82 145.02 38.91 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.178 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -76.66 11.46 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -171.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.467 HG21 HD13 ' A' ' 132' ' ' LEU . 18.1 p -104.91 -23.44 12.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 173.179 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -96.79 107.13 19.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.2 -176.001 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -67.08 -27.78 67.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -55.06 -50.51 68.95 Favored 'General case' 0 CA--C 1.522 -0.096 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.138 174.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.47 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 22.0 m -64.35 -36.18 83.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.384 -176.791 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.2 -49.36 72.32 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.719 0.295 . . . . 0.0 110.599 -179.319 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -69.28 -27.85 65.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.243 0.544 . . . . 0.0 110.684 179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.23 -15.38 61.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.358 -178.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 41.6 p -55.28 -48.83 73.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.147 0.499 . . . . 0.0 110.821 179.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -40.58 95.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.391 176.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -43.05 94.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.91 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' O ' HG13 ' A' ' 111' ' ' ILE . 23.0 m-85 -58.13 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.289 176.517 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.994 -178.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.9 -39.33 91.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.763 0.316 . . . . 0.0 111.112 179.589 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -36.16 82.4 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.589 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 107' ' ' PHE . 90.3 mt -65.93 -47.34 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.583 177.213 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 8.7 mp -69.78 -12.95 62.03 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -76.23 -32.96 59.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.676 0.274 . . . . 0.0 110.309 177.342 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 83' ' ' PHE . 29.2 m -107.94 -26.52 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.725 -178.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.902 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 9.4 mtmt -118.9 106.63 12.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 178.159 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.57 22.91 0.23 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.4 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -145.92 10.65 1.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.274 -169.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.902 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -103.27 -78.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.615 -175.159 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 38.6 t70 -155.99 -89.67 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.548 179.026 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 0.7 OUTLIER -134.27 154.41 51.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 177.676 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.3 mt -127.88 98.99 26.45 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-O 120.83 0.348 . . . . 0.0 110.734 -175.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -86.43 123.76 2.26 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.517 2.811 . . . . 0.0 112.5 178.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.632 HD23 HD21 ' A' ' 91' ' ' LEU . 6.6 mp -116.98 135.57 53.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.204 177.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.772 HD13 ' HG2' ' A' ' 153' ' ' GLN . 9.8 tp -117.63 121.41 40.83 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.283 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG22 HD12 ' A' ' 91' ' ' LEU . 16.5 t -81.87 120.38 33.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.222 -178.543 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.35 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.632 -176.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -80.77 101.29 2.03 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 179.386 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -83.17 129.97 35.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.011 0.434 . . . . 0.0 111.353 -176.357 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.722 ' HG3' ' C6 ' ' A' ' 500' ' ' GNP . 31.9 mtpt 69.85 50.56 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.396 174.499 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 22.9 t -63.72 -12.13 31.97 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 167.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -53.85 -22.61 10.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.13 170.536 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 95' ' ' ILE . 36.3 mt -92.05 87.25 6.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 177.254 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 -37.8 13.03 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.287 0.565 . . . . 0.0 110.046 176.044 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.755 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.5 pt-20 -82.3 -18.04 43.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.119 -175.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.755 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 81.6 mtp180 -111.59 8.52 20.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 -174.834 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -58.66 114.23 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.768 -178.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -87.51 -41.42 13.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 7.6 p -108.38 126.01 30.59 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.074 -177.16 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 32.2 Cg_exo -58.83 119.39 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.557 2.172 . . . . 0.0 111.017 175.416 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.637 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 2.4 p -71.29 -16.36 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.078 -174.039 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.6 mp0 -56.25 -49.73 73.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.799 -179.638 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.85 -11.37 59.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 0.0 110.915 -178.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -83.8 -45.86 12.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.425 176.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 23.5 mtm180 -58.96 -38.58 79.38 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.138 0.494 . . . . 0.0 110.441 174.509 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.7 t -57.98 -28.11 64.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.952 179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -67.22 -48.55 67.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 177.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.74 88.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.451 176.886 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.33 -45.78 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.006 176.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.76 -41.69 91.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.308 179.493 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 27.0 m0 -85.83 -0.86 56.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.456 -174.327 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 71.71 38.01 61.26 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.776 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.8 -171.18 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.623 0.249 . . . . 0.0 110.655 -179.554 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.772 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -110.75 160.66 16.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-O 121.029 0.442 . . . . 0.0 111.211 179.429 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.485 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 37.6 t80 -125.7 123.24 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.68 175.776 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 45.1 t -120.93 125.41 73.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.566 -178.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.79 127.4 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 31.8 p -124.85 142.72 51.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.852 -176.651 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 m -135.82 108.21 7.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.221 176.671 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.447 ' H ' ' C6 ' ' A' ' 500' ' ' GNP . . . -66.46 -13.14 60.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.795 178.477 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' HE3' ' N2 ' ' A' ' 500' ' ' GNP . 5.2 tppp? -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.564 177.082 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 7.9 p -127.75 3.54 6.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.146 -178.364 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 56.21 39.28 30.31 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.226 -177.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -93.44 131.3 38.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.335 -176.257 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 70.23 6.48 5.8 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.078 0.861 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 48.9 t -67.5 -33.35 61.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.19 0.519 . . . . 0.0 110.051 178.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.51 -47.66 82.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.831 177.616 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -59.26 -52.11 67.06 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.157 -170.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 23.8 m -53.26 -35.51 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -173.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -76.28 -54.06 7.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.706 0.289 . . . . 0.0 111.589 178.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -68.16 -38.24 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.751 -175.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.56 -48.85 75.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.222 -177.638 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.02 -34.53 78.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.386 -179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 56.4 mtm -64.05 -31.03 72.07 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.284 178.136 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -67.06 -46.55 73.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.563 175.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.558 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 3.5 mm-40 -52.36 -42.54 64.01 Favored 'General case' 0 C--O 1.23 0.073 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.702 176.096 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 83.0 mt -55.5 -40.38 58.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.072 -178.831 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -71.29 -40.99 70.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.468 -177.699 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.9 m -59.78 -42.01 92.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.511 179.156 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.6 mptt -63.94 -49.93 70.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.824 177.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -60.26 -35.85 76.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.033 -178.085 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 73.4 mtm -85.69 -2.66 58.42 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.173 -0.211 . . . . 0.0 111.201 -178.592 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 20.7 m 62.17 19.65 11.08 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.773 177.005 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.29 99.38 4.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.673 0.749 . . . . 0.0 110.361 -177.409 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -108.42 13.79 25.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.789 -178.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.635 -178.776 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 5.9 p -129.84 31.35 4.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.032 0.444 . . . . 0.0 110.493 -176.782 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 5.0 mp0 -57.12 -26.31 60.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.052 -175.518 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 70.8 m -111.34 -35.32 5.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.359 0.6 . . . . 0.0 110.532 177.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.05 -27.75 69.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.944 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.0 -56.17 25.48 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.529 -178.869 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.08 -36.34 92.78 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.235 -179.325 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.63 ' O ' HG13 ' B' ' 402' ' ' ILE . 35.2 mm -56.23 -54.88 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.027 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -58.54 -42.59 88.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.695 -177.009 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.69 -45.58 89.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.081 0.467 . . . . 0.0 111.038 -179.183 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 16.2 mt-10 -79.7 -24.8 41.46 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.49 -176.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.731 HG12 ' HG ' ' B' ' 439' ' ' LEU . 63.2 mt -59.15 -52.85 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.224 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -66.08 -29.46 69.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 7.7 ttm-85 -62.86 -46.22 88.89 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 174.651 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.502 ' HB2' HD23 ' B' ' 436' ' ' LEU . 33.1 mm-40 -72.92 -41.56 64.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 -178.388 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -60.73 -36.47 78.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.518 177.914 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -62.26 -50.2 72.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.206 174.147 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.588 ' O ' HD23 ' B' ' 412' ' ' LEU . 73.6 mt -57.01 -48.41 78.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.451 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.633 HD13 HG13 ' B' ' 432' ' ' VAL . 16.2 tp -65.08 -44.61 88.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.448 -178.815 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -56.21 -42.69 77.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.784 177.642 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 36.9 m -59.23 -53.77 54.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.588 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.9 mm? -58.33 -43.12 88.1 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.49 177.029 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.438 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 6.7 m-70 -59.04 -47.3 85.73 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.512 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 57.4 mtt180 -76.88 -43.83 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -175.186 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -47.42 82.07 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.485 0.659 . . . . 0.0 111.452 -175.546 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' B' ' 425' ' ' LYS . 5.6 mp -64.58 -24.87 67.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.975 -1.011 . . . . 0.0 112.842 -171.067 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' B' ' 414' ' ' ARG . 52.4 mt-30 -56.28 -27.03 53.97 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.686 0.279 . . . . 0.0 111.19 179.12 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.65 -8.91 82.15 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.229 -176.485 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 102.69 -3.66 49.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.337 179.228 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.25 117.35 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 176.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.506 ' HB2' ' HE2' ' B' ' 425' ' ' LYS . 24.5 pttm -135.25 145.11 47.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.756 0.789 . . . . 0.0 112.083 -176.698 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 14.1 t70 -149.09 166.4 28.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.383 -1.281 . . . . 0.0 107.755 178.401 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 9.1 mp -68.03 -30.96 70.32 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.498 0.666 . . . . 0.0 109.319 174.858 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.4 m -63.69 -44.89 92.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.269 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -66.76 -38.31 86.34 Favored 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -170.602 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 4.7 pt-20 -73.37 -40.81 64.07 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.244 -178.655 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 24.6 mm-40 -66.52 -48.14 70.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.203 175.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.559 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.0 mmt180 -60.62 -37.61 82.02 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.754 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 429' ' ' LEU . 2.3 mt -55.63 -53.95 50.17 Favored 'General case' 0 CA--C 1.512 -0.506 0 O-C-N 123.481 0.488 . . . . 0.0 110.503 179.356 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.621 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 63.5 m95 -66.59 -38.22 86.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.76 -178.421 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 51.4 mt-10 -58.64 -56.66 19.3 Favored 'General case' 0 CA--C 1.522 -0.121 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.949 -178.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.633 HG13 HD13 ' B' ' 409' ' ' LEU . 7.4 p -66.35 -32.37 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.227 0.536 . . . . 0.0 110.059 -178.635 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 22.7 tp60 -55.57 -56.53 19.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.488 176.659 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.621 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -71.09 -26.72 63.17 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.39 -176.421 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 432' ' ' VAL . 67.7 mt -64.55 -50.91 73.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.004 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.623 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.5 tm? -58.77 -46.06 88.37 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.288 -176.623 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.542 HG22 ' HA ' ' B' ' 434' ' ' ARG . 1.8 t -62.37 -45.41 93.29 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.273 -177.309 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.03 -38.39 88.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.201 0.524 . . . . 0.0 109.845 177.363 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.731 ' HG ' HG12 ' B' ' 402' ' ' ILE . 35.2 tp -66.98 -38.1 85.42 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.034 -0.984 . . . . 0.0 111.786 -178.581 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 9.5 mmmm -64.85 -37.71 88.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.002 0.429 . . . . 0.0 110.121 176.752 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -64.58 -42.05 95.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.739 175.585 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -58.56 -31.2 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.152 176.866 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.655 ' HB2' HD11 ' B' ' 402' ' ' ILE . 61.8 tp -65.07 -48.36 74.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.261 175.452 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -5.51 43.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.346 178.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -100.93 -9.71 21.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.323 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.873 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.179 177.46 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.722 ' C6 ' ' HG3' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.017 -0.433 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.95 93.13 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -179.849 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.9 m 63.41 -174.23 0.16 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.333 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -96.97 101.61 13.23 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.126 0.488 . . . . 0.0 109.937 177.411 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.1 mt -109.19 5.77 24.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.3 -178.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -91.15 13.25 17.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.35 -178.181 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -130.01 124.59 33.3 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.566 178.091 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 46.0 m-70 -128.92 136.0 49.79 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.587 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 1.091 ' HE2' ' HB2' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -119.24 114.17 22.0 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.901 0.382 . . . . 0.0 110.583 179.697 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.0 t -123.36 127.76 74.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.897 -177.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -111.28 124.91 68.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.812 177.223 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 51.3 ttm -91.49 114.33 26.83 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.817 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 m -109.19 162.67 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.076 0.465 . . . . 0.0 111.591 -175.69 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 165.9 -155.45 26.73 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -178.165 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -83.28 -155.36 0.16 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.733 ' HA2' ' HA3' ' A' ' 71' ' ' GLY . . . -53.74 -59.76 9.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 177.373 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.59 -78.28 0.22 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.102 -1.046 . . . . 0.0 112.831 179.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 66.7 t 72.86 -54.63 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.641 0.776 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 155.72 26.58 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.215 -179.113 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' N ' ' A' ' 28' ' ' SER . 18.8 ptpt -71.99 -54.33 10.27 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -175.298 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' N ' ' HG3' ' A' ' 27' ' ' LYS . 25.6 m -64.98 -23.48 67.23 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -172.724 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.631 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.65 -39.04 70.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.599 0.238 . . . . 0.0 110.809 178.428 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD11 ' HB3' ' A' ' 128' ' ' ASN . 96.7 mt -63.12 -44.66 94.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -177.443 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -69.88 -34.49 73.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.016 -178.425 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.9 tm? -62.1 -42.83 99.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.721 176.481 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.826 HE22 ' HA ' ' A' ' 39' ' ' PHE . 83.5 mm-40 -57.62 -39.2 76.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.736 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -72.08 -7.87 51.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.633 -175.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.673 ' HG2' ' HD3' ' A' ' 53' ' ' LYS . 62.0 mtm -118.42 -4.58 10.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.886 -0.509 . . . . 0.0 112.009 -178.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.443 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 46.2 m-85 -138.43 -37.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -177.468 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 36' ' ' TYR . 21.4 t0 70.99 16.06 6.54 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 122.442 1.115 . . . . 0.0 109.156 -170.684 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -122.26 151.18 41.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.423 178.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.826 ' HA ' HE22 ' A' ' 33' ' ' GLN . 53.9 t80 -80.25 126.6 31.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -179.422 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.691 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -61.75 124.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -175.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -102.49 -30.27 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.47 178.119 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.43 100.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.022 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -167.19 102.07 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.481 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.82 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.5 mm-40 -110.55 -46.94 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 -177.835 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 6.1 Cg_endo -48.38 100.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.707 2.271 . . . . 0.0 113.186 -179.719 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 1.1 p -151.2 11.98 0.64 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 179.076 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -73.3 -40.79 64.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.35 0.595 . . . . 0.0 109.756 178.757 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.92 -21.24 5.16 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.1 176.1 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -77.37 104.3 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.22 0.533 . . . . 0.0 111.022 -178.636 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.54 ' HB2' HE22 ' B' ' 433' ' ' GLN . 7.8 m -101.78 165.74 11.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.282 176.78 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -129.24 127.3 40.96 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.358 0.599 . . . . 0.0 112.087 -174.03 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HE ' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttt180 -81.31 110.78 17.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.711 178.3 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.673 ' HD3' ' HG2' ' A' ' 35' ' ' MET . 45.3 tptt -104.5 125.46 50.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.48 179.291 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -107.55 125.61 51.51 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.735 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -133.5 150.38 32.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.47 117.14 50.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 171.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.95 96.89 6.8 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.472 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 41.54 77.93 0.05 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 124.445 1.091 . . . . 0.0 111.552 -176.549 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.65 -111.16 0.52 Allowed Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 119.789 -1.196 . . . . 0.0 114.472 178.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.34 160.67 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 0.0 111.298 -169.274 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.69 112.32 16.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.059 178.66 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 13' ' ' ALA . 2.9 t -107.6 151.5 9.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.197 -174.805 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.403 ' NE2' ' HE ' ' A' ' 52' ' ' ARG . 24.7 mt-30 -113.64 141.43 47.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.215 0.531 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 9.2 tt -150.61 114.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.229 175.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 1.091 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 5.3 m-20 -88.85 134.99 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.41 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.496 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 43.7 mm -107.31 130.57 59.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.945 0.402 . . . . 0.0 110.597 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 82' ' ' TYR . 34.5 tp -109.92 123.99 50.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.624 -179.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 33.9 t70 -97.41 135.6 39.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.25 178.912 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.8 p -101.49 138.16 38.85 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.97 133.84 35.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.138 174.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.733 ' HA3' ' HA2' ' A' ' 23' ' ' GLY . . . -95.4 70.03 1.04 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.091 -178.27 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -147.51 167.01 25.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.846 0.355 . . . . 0.0 111.225 -176.689 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -91.85 -6.91 50.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.446 0.641 . . . . 0.0 109.711 179.444 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' HB2' HD13 ' A' ' 72' ' ' LEU . 2.0 m-20 -58.71 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.625 -178.388 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.529 ' HA ' ' NE2' ' B' ' 417' ' ' GLN . 7.6 m-85 -115.28 92.42 3.92 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.965 -175.197 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.14 -11.82 61.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.615 0.721 . . . . 0.0 109.527 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.753 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -72.46 -6.84 46.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.533 177.615 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.6 mt -97.82 -37.7 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.978 0.418 . . . . 0.0 110.119 175.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -91.84 -66.14 0.95 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.997 0.427 . . . . 0.0 111.264 -178.689 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.14 -49.96 25.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.951 -170.928 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.753 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 56.2 m-80 -69.33 -17.4 63.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.381 -172.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.1 m-85 -92.1 -11.74 34.89 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 179.643 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.592 ' HB3' HG21 ' A' ' 114' ' ' VAL . 8.0 m-30 -77.97 5.73 9.22 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.505 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HG2' ' OE1' ' B' ' 426' ' ' GLU . 2.0 mpt_? -87.96 -76.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.276 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.573 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 10.0 m -79.33 44.11 0.58 Allowed 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.234 0.54 . . . . 0.0 112.036 -176.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.15 18.59 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 176.469 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.628 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.5 mt-10 -119.83 -62.89 1.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.158 0.479 . . . . 0.0 111.034 -176.676 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.34 127.26 7.84 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.611 -0.804 . . . . 0.0 113.022 -176.35 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -128.54 131.96 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 111.105 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 124' ' ' LEU . 95.3 mt -104.66 122.46 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.198 177.144 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 mt -93.37 107.69 19.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.647 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.7 m -108.44 129.62 62.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.398 -178.603 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -138.66 166.1 25.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.771 176.002 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.4 p -103.11 138.97 39.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.368 -179.028 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.616 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.59 9.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.951 0.405 . . . . 0.0 111.499 -177.951 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.632 HG21 HD13 ' A' ' 132' ' ' LEU . 12.1 p -115.7 -11.2 11.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.713 0.292 . . . . 0.0 111.57 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -113.27 112.24 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.025 0.441 . . . . 0.0 110.425 -179.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -74.63 -20.71 59.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.455 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -60.24 -52.21 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.274 175.409 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.6 p -70.38 -28.79 65.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.35 -50.02 75.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.486 176.658 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.7 m -68.26 -34.33 76.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.294 0.569 . . . . 0.0 110.814 178.333 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.24 -20.25 66.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.4 -176.378 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 60.1 p -55.21 -36.49 66.02 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.056 0.455 . . . . 0.0 111.437 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -45.46 72.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.55 178.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.5 -34.84 79.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.21 -177.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.418 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 21.6 m-85 -56.95 -42.12 79.53 Favored 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 176.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -68.31 -48.31 65.25 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.041 174.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -54.15 -39.49 66.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.922 -175.055 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -34.51 76.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.92 0.39 . . . . 0.0 110.216 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 78.9 mt -75.06 -41.52 45.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.687 177.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.66 -27.46 69.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 176.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -66.74 -37.65 85.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.909 0.385 . . . . 0.0 110.623 179.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 83' ' ' PHE . 17.7 m -92.08 -12.08 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.545 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 114' ' ' VAL . 60.1 mttm -122.56 -115.52 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.697 179.739 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.36 -45.85 0.42 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.13 0.972 . . . . 0.0 112.747 -178.158 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.39 15.99 3.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.631 0.253 . . . . 0.0 111.326 -178.6 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -108.07 -149.8 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 178.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.493 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 21.6 t0 -91.12 -80.03 0.35 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.201 -0.2 . . . . 0.0 111.289 -172.296 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.493 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 10.7 mptt -139.32 144.13 38.15 Favored 'General case' 0 CA--C 1.514 -0.416 0 O-C-N 122.055 -0.403 . . . . 0.0 110.947 -179.202 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.4 mt -112.94 92.33 20.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.68 176.749 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 27.4 Cg_exo -61.79 104.98 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 178.817 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mt -105.23 144.05 32.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.057 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 125' ' ' VAL . 6.0 tp -147.51 121.61 9.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 173.705 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.502 ' N ' HD12 ' A' ' 124' ' ' LEU . 13.5 t -89.85 115.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.282 -176.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.647 ' HB ' HG12 ' A' ' 92' ' ' VAL . 56.1 t -112.36 114.42 46.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.173 -177.603 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.53 117.13 4.41 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 177.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.51 ' ND2' ' HB ' ' A' ' 92' ' ' VAL . 8.2 p30 -107.95 170.55 7.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.048 0.424 . . . . 0.0 110.451 -179.35 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.528 ' HD2' ' N2 ' ' A' ' 500' ' ' GNP . 14.0 mmmm 67.51 16.66 9.97 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.919 0.762 . . . . 0.0 110.719 -177.378 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.9 m -67.54 -6.28 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 0.0 111.15 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.0 -3.54 32.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.029 174.876 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.632 HD13 HG21 ' A' ' 96' ' ' THR . 64.0 mt -71.69 -48.33 48.1 Favored 'General case' 0 N--CA 1.462 0.153 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.692 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 64.74 -75.69 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.682 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.42 -31.05 65.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 111.218 -173.787 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 96' ' ' THR . 64.4 mtt180 -82.29 1.65 35.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.852 -177.05 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.8 ttm105 -52.8 113.35 1.06 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.107 0.48 . . . . 0.0 110.187 179.19 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -91.65 -29.44 16.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.832 -174.514 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 95' ' ' ILE . 7.8 p -106.75 124.28 35.99 Favored Pre-proline 0 C--N 1.323 -0.561 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.439 179.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 116.84 3.33 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.537 2.158 . . . . 0.0 110.554 174.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.696 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.1 p -79.51 -16.31 13.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 C-N-CA 120.621 -0.431 . . . . 0.0 111.546 -169.635 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.523 ' OE1' ' HD3' ' A' ' 144' ' ' ARG . 5.5 tp10 -61.62 -47.48 85.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.384 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.29 -21.21 61.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.995 0.426 . . . . 0.0 110.507 -179.681 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.56 71.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.631 173.404 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 41.2 mtp180 -67.46 -34.28 76.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.634 175.414 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.0 t -60.76 -34.62 74.72 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.631 178.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 61.4 mmtt -65.01 -33.1 75.23 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.166 178.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -60.76 -41.73 96.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.888 0.375 . . . . 0.0 110.238 175.716 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.08 -36.06 79.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.965 178.831 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.23 -40.65 94.82 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.856 178.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -91.58 -11.55 36.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.193 -176.08 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.92 35.37 18.91 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.444 178.818 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.61 -175.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -105.66 155.42 19.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.198 175.688 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 91.3 t80 -123.14 128.56 50.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.769 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 67.7 t -135.14 129.59 50.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.191 -178.653 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.91 135.8 33.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.988 0.423 . . . . 0.0 110.056 176.34 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.711 ' HB ' HG22 ' A' ' 165' ' ' VAL . 43.6 p -124.85 129.56 50.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.207 -176.292 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.9 m -91.68 115.78 28.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 174.518 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.87 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -90.93 -24.65 20.11 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.149 -173.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -74.98 -21.91 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.0 p -123.4 -5.46 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 -176.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? 61.21 87.13 0.1 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.84 -178.652 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -143.41 130.97 21.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.877 178.443 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 73.06 -15.14 0.55 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.813 0.845 . . . . 0.0 112.289 176.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.711 HG22 ' HB ' ' A' ' 157' ' ' THR . 25.6 t -59.81 -39.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.562 . . . . 0.0 110.78 -178.06 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.51 -38.02 85.81 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.33 -175.786 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.511 ' HG2' ' OD2' ' A' ' 171' ' ' ASP . 20.0 ttpp -65.49 -48.61 71.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.845 -169.735 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.1 m -58.84 -31.27 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -172.555 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.496 ' O ' ' HG3' ' A' ' 173' ' ' MET . 80.0 m-85 -67.92 -43.64 78.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -69.78 -46.27 66.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.092 -178.418 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.511 ' OD2' ' HG2' ' A' ' 167' ' ' LYS . 46.0 m-20 -57.44 -46.39 83.63 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.314 0.383 . . . . 0.0 111.522 -178.117 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 176' ' ' ILE . 35.7 tp -60.66 -30.86 70.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 19.9 mtt -62.39 -31.1 71.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -179.324 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 0.0 OUTLIER -71.71 -44.82 63.5 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.486 179.321 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 10.4 mm-40 -55.15 -50.96 67.97 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.292 -0.163 . . . . 0.0 111.432 173.856 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 172' ' ' LEU . 69.7 mt -56.14 -48.13 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 17.3 ptp180 -65.93 -29.12 69.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.84 0.352 . . . . 0.0 110.654 -177.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.1 m -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.597 178.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 64.0 mmtt -68.38 -35.79 78.21 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.324 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 23.0 mmmt -66.98 -31.96 72.88 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -179.837 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.6 mtt -71.05 -34.39 71.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.719 176.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 56.2 m 66.56 169.67 0.24 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.084 176.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -83.97 86.69 7.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 109.471 179.614 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.94 13.91 32.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.262 -178.132 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.657 -175.215 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 17.5 p -156.67 28.97 0.32 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.965 0.412 . . . . 0.0 110.122 -179.481 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 2.4 mp0 -46.84 -52.5 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.757 -178.827 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 13.9 m -89.02 -34.07 16.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.589 -178.512 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -62.51 -28.93 70.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.499 -177.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.98 -56.05 18.94 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.222 0.326 . . . . 0.0 111.656 -177.682 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.2 97.71 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.194 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.553 ' O ' HG13 ' B' ' 402' ' ' ILE . 44.1 mm -58.89 -50.56 79.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.805 179.376 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.26 -33.53 76.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.73 -176.471 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.4 mt-10 -62.52 -43.68 98.21 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.792 0.33 . . . . 0.0 110.769 177.339 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -74.84 -32.36 61.9 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.105 179.088 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.617 HG12 ' HB3' ' B' ' 439' ' ' LEU . 77.3 mt -60.13 -47.68 91.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.852 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.66 -39.75 68.35 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.756 175.68 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 12.8 ttp180 -61.99 -47.49 84.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 179.049 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.413 ' OE1' HG23 ' B' ' 432' ' ' VAL . 70.6 mm-40 -73.76 -34.71 64.83 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.672 -177.73 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 436' ' ' LEU . 60.0 mt-10 -61.44 -44.13 97.66 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.39 -51.68 67.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.859 176.05 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.602 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.0 mt -58.03 -47.93 81.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 -179.096 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 65.2 tp -71.85 -32.77 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.375 -177.208 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -66.99 -41.34 86.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.147 0.499 . . . . 0.0 109.862 175.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.8 t -60.03 -53.45 57.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.308 179.947 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -55.99 -44.74 78.89 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 174.614 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.4 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 7.3 m-70 -61.37 -46.82 88.61 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -177.104 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.6 mtt180 -76.54 -36.23 57.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.582 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.13 -40.64 86.81 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -173.233 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 90.0 mt -63.38 -33.9 76.55 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -170.038 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 75' ' ' TYR . 1.5 mp0 -64.92 -15.79 62.49 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.867 -179.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.12 -4.48 63.39 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.655 -178.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.73 35.68 5.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.214 178.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 74.6 mt -119.46 138.15 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.057 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -145.77 143.68 29.85 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.633 0.73 . . . . 0.0 111.854 178.594 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.682 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 11.9 t70 -149.4 159.48 44.25 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 169.806 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.33 -29.56 70.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.918 0.866 . . . . 0.0 109.108 175.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 8.2 m -65.37 -38.28 89.58 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.709 -178.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.691 ' HD2' ' HG2' ' B' ' 426' ' ' GLU . 0.0 OUTLIER -69.89 -29.35 66.53 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.165 -173.277 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.691 ' HG2' ' HD2' ' B' ' 425' ' ' LYS . 1.9 mt-10 -72.47 -47.9 45.13 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.312 0.577 . . . . 0.0 109.543 179.356 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 19.8 mm-40 -64.3 -40.44 95.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.586 176.728 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.614 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -60.27 -41.67 93.77 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.121 178.839 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 20.1 mt -55.22 -49.39 72.07 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 123.276 0.36 . . . . 0.0 110.38 178.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 90.3 m95 -65.62 -45.89 81.38 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.198 179.052 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 50.2 mt-10 -57.35 -54.9 41.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.621 0.248 . . . . 0.0 111.575 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.849 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -64.49 -35.9 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.629 -172.823 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.54 HE22 ' HB2' ' A' ' 50' ' ' SER . 0.0 OUTLIER -69.77 -29.69 67.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.73 -177.796 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -70.07 -35.21 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.191 0.519 . . . . 0.0 110.027 177.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' B' ' 432' ' ' VAL . 2.8 mt -70.86 -42.22 77.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.488 175.538 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 406' ' ' GLU . 3.2 tm? -55.74 -45.15 78.05 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.536 178.426 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 14.3 t -75.87 -36.29 59.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.016 -174.177 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -67.52 -38.64 84.54 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.107 0.479 . . . . 0.0 110.231 177.496 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.617 ' HB3' HG12 ' B' ' 402' ' ' ILE . 26.4 mt -68.16 -40.95 82.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.354 178.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.415 ' O ' ' HB3' ' B' ' 443' ' ' LEU . 38.5 mttp -66.77 -30.2 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.797 177.028 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.512 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 2.8 tmt_? -66.58 -45.41 79.35 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.011 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' B' ' 445' ' ' GLU . 14.4 mmmm -63.49 -26.19 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.067 177.375 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.551 ' HB2' HD11 ' B' ' 402' ' ' ILE . 55.8 tp -63.94 -42.5 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.925 0.393 . . . . 0.0 110.493 174.388 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -82.41 -8.4 59.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.625 177.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.492 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 5.2 tp10 -83.84 -26.74 29.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.677 175.575 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.756 -179.218 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.87 HN22 ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB3' HD12 ' A' ' 12' ' ' LEU . 9.5 tt0 -139.43 124.21 18.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.901 0.381 . . . . 0.0 110.392 -179.543 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.2 m -68.18 155.44 39.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.287 -172.587 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.5 m 68.07 16.49 9.49 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.628 175.612 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 9' ' ' GLN . 40.1 mt -105.19 -27.24 11.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.192 177.206 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -92.95 11.41 27.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 0.0 110.397 178.735 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 63' ' ' GLN . 92.6 mt -131.51 117.44 18.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.554 177.827 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -123.09 142.86 50.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.652 -176.776 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' CD ' ' A' ' 87' ' ' GLU . 1.2 mmtp -123.12 118.15 27.04 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 177.711 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 66' ' ' ILE . 7.3 p -121.86 128.83 75.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.228 0.537 . . . . 0.0 109.696 175.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.2 mt -106.09 129.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.631 -177.106 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.635 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 17.9 mmt -81.89 107.22 14.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.564 174.343 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 90' ' ' LEU . 16.6 m -94.74 140.46 16.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 110.365 -177.313 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 107' ' ' PHE . . . 157.92 158.49 9.01 Favored Glycine 0 N--CA 1.441 -1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -178.048 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.496 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 49.6 m -101.1 -71.2 0.72 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 -178.002 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.44 148.42 48.54 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 173.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.63 58.5 4.47 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.298 -0.953 . . . . 0.0 112.51 -177.295 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.98 -50.83 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 122.961 0.504 . . . . 0.0 111.234 -179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.24 30.64 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.503 176.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 53.0 pttt -79.64 1.41 26.35 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.573 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.8 m -117.67 -24.41 7.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.73 0.3 . . . . 0.0 111.334 175.779 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -70.87 -53.96 13.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.261 -175.207 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.45 -33.53 72.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.648 0.737 . . . . 0.0 110.348 -179.197 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.614 ' CG2' HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -64.44 -47.1 80.34 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.584 -1.189 . . . . 0.0 112.378 -173.551 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD13 HG23 ' A' ' 40' ' ' VAL . 7.3 tt -71.78 -28.09 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -175.365 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.589 HE22 ' HA ' ' A' ' 39' ' ' PHE . 10.7 mm100 -59.89 -45.76 91.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.19 0.519 . . . . 0.0 109.845 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -72.73 -32.1 65.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.638 177.368 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.43 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 44.9 ttm -66.22 -50.87 62.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.322 -178.89 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 41.5 m-85 -101.08 -82.82 0.46 Allowed 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.671 179.177 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 27.4 t70 171.62 -46.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.815 0.697 . . . . 0.0 109.858 -179.865 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.85 -178.75 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.639 -178.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' HA ' HE22 ' A' ' 33' ' ' GLN . 59.9 t80 -75.11 136.5 41.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.408 -172.019 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG23 HD13 ' A' ' 32' ' ' LEU . 2.7 p -55.51 124.35 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.469 -179.07 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 42' ' ' ASP . 7.9 pt-20 -97.45 -48.07 5.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.539 174.583 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.473 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.5 t70 -153.8 117.7 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.463 -176.1 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -167.88 93.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 39.8 tt0 -83.47 -51.31 0.65 Allowed Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.333 -176.864 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 22.3 Cg_exo -65.19 105.54 0.71 Allowed 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 121.981 1.788 . . . . 0.0 113.138 -175.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.461 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 10.5 p -136.59 36.6 2.67 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 168.484 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -85.53 -55.71 3.87 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.935 -177.449 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -126.34 21.94 7.2 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.76 0.79 . . . . 0.0 108.931 172.435 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.1 m-20 -100.2 92.54 5.26 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.977 -167.001 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.6 m -90.96 153.17 20.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.251 170.495 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -143.59 112.87 6.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.107 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 63' ' ' GLN . 11.9 ttp180 -75.42 119.66 19.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.501 -173.596 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 35' ' ' MET . 46.2 tptt -101.26 127.11 48.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.063 -0.972 . . . . 0.0 109.942 -179.705 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.626 ' HD3' ' HB3' ' A' ' 61' ' ' GLU . 3.9 tmmt? -100.86 117.31 34.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.981 0.419 . . . . 0.0 110.343 178.643 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.13 154.15 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.402 -179.644 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG23 ' C ' ' A' ' 60' ' ' GLU . 9.6 p -112.15 133.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 173.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD12 ' NH1' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -132.93 103.4 6.04 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.769 -179.106 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 43.97 35.1 1.05 Allowed 'General case' 0 N--CA 1.471 0.597 0 O-C-N 124.548 1.155 . . . . 0.0 112.277 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -174.0 -116.43 0.43 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 119.923 -1.132 . . . . 0.0 113.92 -178.027 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' C ' HG23 ' A' ' 56' ' ' VAL . 14.6 pt-20 -106.71 167.38 9.9 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 122.148 0.179 . . . . 0.0 110.59 -174.928 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.626 ' HB3' ' HD3' ' A' ' 54' ' ' LYS . 41.6 mt-10 -73.86 112.91 10.43 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 109.854 179.132 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' ' 13' ' ' ALA . 59.3 t -106.48 147.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.062 -174.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.654 ' HB3' ' HD2' ' A' ' 52' ' ' ARG . 50.1 mt-30 -111.81 117.88 34.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.376 0.608 . . . . 0.0 110.43 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.1 124.07 72.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.142 179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.65 132.37 47.37 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.614 HG21 ' CG2' ' A' ' 31' ' ' THR . 4.2 mm -108.13 127.28 64.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.215 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.5 tp -98.71 115.37 28.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.138 176.212 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB3' ' HB ' ' A' ' 46' ' ' THR . 10.9 t70 -92.53 138.82 31.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 175.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.0 p -109.13 147.8 31.89 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.064 0.459 . . . . 0.0 111.92 -172.71 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.45 161.94 29.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.024 173.181 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 22' ' ' SER . . . -134.82 70.9 0.5 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.11 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HG ' ' H ' ' A' ' 74' ' ' ASP . 2.5 pt? -152.06 162.02 41.73 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -179.175 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -82.31 29.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.185 0.517 . . . . 0.0 111.144 -175.834 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.491 ' H ' ' HG ' ' A' ' 72' ' ' LEU . 3.5 m-20 -115.53 -74.84 0.6 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.506 -178.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -79.74 74.84 6.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.836 -173.034 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.05 -19.12 60.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.289 175.515 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' HA ' ' CG ' ' A' ' 81' ' ' ASN . . . -70.87 -6.59 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.716 -177.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' B' ' 413' ' ' HIS . 42.4 mt -95.05 -33.47 4.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.929 0.395 . . . . 0.0 110.855 -178.882 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.97 -64.59 1.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.112 0.482 . . . . 0.0 111.171 -176.16 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.13 -38.11 66.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.084 -170.233 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.559 ' ND2' ' HB3' ' B' ' 416' ' ' LEU . 2.8 m-20 -71.43 -17.64 62.37 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.576 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -97.58 -14.3 21.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -178.337 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 114' ' ' VAL . 7.9 m-30 -60.65 -32.59 71.76 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -175.338 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.96 -57.03 12.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.021 -175.414 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.448 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 8.0 m -90.28 22.86 3.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.945 0.403 . . . . 0.0 111.146 -177.059 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.77 137.22 14.38 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.33 179.497 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.459 ' CD ' ' HG2' ' A' ' 16' ' ' LYS . 92.4 mt-10 -88.32 -70.08 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.683 0.277 . . . . 0.0 110.626 -179.58 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.57 147.25 17.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.196 -178.771 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' HZ ' ' HD2' ' A' ' 115' ' ' LYS . 48.5 m-85 -127.78 123.88 36.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.733 0.302 . . . . 0.0 110.589 -178.16 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 20' ' ' VAL . 85.2 mt -103.45 121.9 43.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.552 178.8 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.436 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.8 mp -94.17 107.9 19.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 179.869 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -109.38 129.15 64.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.057 0.456 . . . . 0.0 111.811 -177.211 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -148.24 165.26 31.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.964 176.707 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.6 p -109.07 148.74 30.35 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.957 0.408 . . . . 0.0 110.581 -179.21 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.759 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.47 16.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.091 -178.59 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.49 HG21 HD13 ' A' ' 132' ' ' LEU . 13.7 p -123.19 -2.86 8.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.852 0.358 . . . . 0.0 111.141 176.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.25 111.59 17.12 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -177.578 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -78.04 -29.81 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.895 -173.219 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -71.53 -31.82 67.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.121 0.486 . . . . 0.0 110.429 -174.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.1 m -64.35 -28.24 69.57 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.701 175.436 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -68.3 -40.52 81.7 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.156 0.503 . . . . 0.0 109.652 175.624 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -63.94 -42.16 97.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.498 0.666 . . . . 0.0 109.761 174.331 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.74 80.44 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.398 -179.531 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.63 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 10.9 p -58.54 -32.36 68.81 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 111.531 -178.86 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.2 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.025 0.44 . . . . 0.0 110.461 177.805 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.64 -27.4 63.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.681 -178.235 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 14.3 m-85 -56.61 -42.3 78.52 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.633 179.667 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.531 ' O ' HD23 ' A' ' 112' ' ' LEU . 46.0 ttt180 -55.36 -53.04 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.431 -178.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -69.25 -27.31 65.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.871 -176.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -71.32 -36.34 71.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.09 0.472 . . . . 0.0 109.883 -179.081 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.579 ' HA ' HG22 ' A' ' 114' ' ' VAL . 64.1 mt -71.46 -33.96 51.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.201 177.057 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 108' ' ' ARG . 3.7 mm? -58.91 -28.93 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.517 174.835 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -78.67 -44.89 22.65 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.255 179.292 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 83' ' ' PHE . 30.9 m -76.88 -34.14 22.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -173.555 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HB2' HD11 ' A' ' 121' ' ' ILE . 51.0 mtpt -98.9 -71.65 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.659 -179.75 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 63.63 -80.25 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 177.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.68 28.18 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.011 0.434 . . . . 0.0 111.694 -170.166 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 6.6 mm-40 -81.92 -161.44 0.44 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.114 178.147 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.476 ' CG ' ' H ' ' A' ' 120' ' ' LYS . 1.8 p-10 -61.67 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 110.308 174.197 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.691 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 44.2 mmtm -146.81 -178.41 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.255 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 115' ' ' LYS . 67.8 mt -139.81 93.23 9.61 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.519 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -86.74 126.95 2.61 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.592 2.861 . . . . 0.0 112.607 179.83 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.6 mp -119.15 145.38 46.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.047 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 125' ' ' VAL . 4.2 tp -136.71 117.92 14.5 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.274 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.438 ' N ' HD12 ' A' ' 124' ' ' LEU . 9.1 t -87.34 118.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.884 -177.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.9 t -110.47 109.89 30.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.565 -175.381 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.73 113.57 3.8 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 177.18 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.469 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 6.5 p30 -109.69 176.2 5.16 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.884 0.342 . . . . 0.0 110.967 -176.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.657 ' HE2' " H1'" ' A' ' 500' ' ' GNP . 33.6 mmtp 69.17 31.31 4.04 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.858 0.724 . . . . 0.0 110.376 -178.282 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 m -58.19 -12.4 3.53 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -177.82 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.72 -14.06 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.654 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.2 mt -85.35 41.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.808 179.761 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.14 -26.1 67.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -176.183 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -101.37 -10.07 20.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.841 0.353 . . . . 0.0 110.997 -179.043 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.3 mtt180 -107.48 -3.53 19.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.609 -178.22 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.561 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.1 ttm180 -53.31 117.72 3.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.639 179.603 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 137' ' ' GLN . 6.0 tp60 -107.52 -22.45 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.513 178.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.17 118.94 52.57 Favored Pre-proline 0 C--N 1.327 -0.384 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.742 172.634 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.51 ' HB2' ' HG2' ' A' ' 142' ' ' GLU . 48.7 Cg_exo -55.42 115.72 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.783 2.322 . . . . 0.0 111.485 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.681 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.5 OUTLIER -70.21 -25.21 27.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.933 -176.384 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.74 -50.5 73.01 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.314 -178.642 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' A' ' 139' ' ' PRO . 11.7 pt-20 -70.15 -25.84 63.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.851 0.358 . . . . 0.0 110.375 -179.723 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -35.81 77.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.352 176.051 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.702 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 27.7 mtm180 -64.05 -40.14 95.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.501 175.386 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 148' ' ' GLU . 22.7 t -67.59 -20.34 65.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.023 179.424 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.47 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 54.4 mmtt -71.1 -41.91 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.748 175.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.603 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -61.61 -36.09 79.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 109.403 172.772 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 145' ' ' SER . 32.6 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.107 177.045 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 145' ' ' SER . 42.3 mt-10 -64.41 -31.22 72.34 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.764 0.316 . . . . 0.0 111.25 -179.304 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -85.3 -13.01 50.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.59 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 84.96 26.45 37.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.429 179.365 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.603 HG23 ' HB1' ' A' ' 147' ' ' ALA . 17.0 m -121.48 -175.0 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 178.916 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.422 ' HG3' HD13 ' A' ' 124' ' ' LEU . 28.6 pt20 -105.83 162.67 13.35 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.619 178.394 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.702 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 66.0 t80 -130.16 122.35 28.03 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.602 176.538 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.0 t -128.09 123.0 59.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.797 -176.905 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -84.42 129.95 34.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.878 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -131.97 156.66 45.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.366 0.603 . . . . 0.0 111.675 -172.786 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.3 p -138.44 102.93 4.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.764 173.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.587 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -60.82 -18.7 57.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.69 -177.512 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -67.6 -18.71 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.294 -178.462 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 11.9 t -141.06 10.37 2.15 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.113 0.483 . . . . 0.0 110.617 178.752 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 61.63 25.91 15.7 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.582 178.128 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -72.25 109.52 6.05 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.679 178.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.428 ' HB2' HG22 ' A' ' 157' ' ' THR . 85.4 m-20 70.31 4.16 4.77 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 124.025 0.828 . . . . 0.0 112.207 176.543 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 159' ' ' ALA . 97.1 t -71.2 -47.43 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 -176.062 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.93 -36.8 82.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.471 . . . . 0.0 110.52 179.408 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -61.39 -50.99 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.01 -176.47 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.9 m -57.89 -26.96 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -175.525 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -74.24 -56.44 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.128 175.141 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 50.7 m-85 -61.41 -41.84 97.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.617 -175.205 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.27 -51.11 70.7 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.416 179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.1 tp -65.18 -34.61 78.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.389 0.614 . . . . 0.0 109.955 179.755 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 62.2 mtp -64.08 -29.66 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.519 179.086 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 6.9 mmm180 -70.8 -39.46 73.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.834 -0.167 . . . . 0.0 110.574 -179.684 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -59.22 -37.0 76.42 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.693 176.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 70.6 mt -57.21 -32.57 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.0 0.429 . . . . 0.0 110.73 179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' A' ' 181' ' ' MET . 73.7 mtt180 -67.06 -52.25 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.183 176.717 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 8.8 m -63.79 -36.54 84.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.886 -176.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 13.5 mptt -63.64 -49.14 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.795 179.454 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -74.69 -18.92 60.45 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -176.278 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 60.0 mtt -85.92 -2.25 58.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.966 0.413 . . . . 0.0 110.07 175.202 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.7 m 62.98 -98.08 0.07 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.191 178.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 178.21 113.44 0.03 OUTLIER 'General case' 0 N--CA 1.457 -0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.559 -174.681 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -136.06 36.16 2.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 172.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt . . . . . 0 C--O 1.246 0.919 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.454 -179.478 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.79 ' HB2' ' HB2' ' B' ' 395' ' ' GLN . 12.8 p -77.41 96.11 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 0.0 110.555 178.722 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -67.93 -74.44 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.324 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.468 ' O ' HG12 ' B' ' 398' ' ' ILE . 30.3 m -83.15 -28.87 29.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.158 0.504 . . . . 0.0 110.323 -179.082 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.79 ' HB2' ' HB2' ' B' ' 392' ' ' SER . 88.2 mt-30 -58.44 -30.58 67.03 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.076 -179.753 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.62 -52.39 65.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.725 179.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.582 ' HA2' ' HG2' ' B' ' 400' ' ' GLU . . . -68.38 -31.06 73.63 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.22 -179.583 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.468 HG12 ' O ' ' B' ' 394' ' ' THR . 44.9 mm -63.46 -48.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.976 0.417 . . . . 0.0 110.086 175.745 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.441 ' HA ' HD12 ' B' ' 402' ' ' ILE . 97.4 mttt -64.06 -43.69 94.71 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.672 -178.389 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.582 ' HG2' ' HA2' ' B' ' 397' ' ' GLY . 12.1 pt-20 -66.95 -32.56 73.89 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.817 -179.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.662 ' OE2' ' HD3' ' B' ' 404' ' ' ARG . 9.0 tp10 -69.82 -42.22 73.96 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 175.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.642 ' HA ' HD23 ' B' ' 439' ' ' LEU . 89.7 mt -53.07 -51.42 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 174.316 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HD3' ' OE1' ' B' ' 406' ' ' GLU . 31.5 mmt180 -57.02 -42.99 81.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.21 178.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.662 ' HD3' ' OE2' ' B' ' 401' ' ' GLU . 49.8 ttt180 -59.92 -48.66 80.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 80.3 mm-40 -73.42 -27.22 61.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.934 -177.042 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.434 ' OE1' ' HD3' ' B' ' 403' ' ' ARG . 33.8 mt-10 -59.58 -43.19 93.72 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.032 179.247 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.58 -45.52 92.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.042 0.448 . . . . 0.0 111.06 -178.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.578 HD23 ' HB ' ' B' ' 432' ' ' VAL . 2.9 tm? -63.77 -43.95 94.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.606 176.842 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' B' ' 414' ' ' ARG . 48.9 t30 -56.41 -43.74 79.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.194 178.084 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.0 t -60.11 -55.85 28.86 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 -179.148 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' B' ' 429' ' ' LEU . 3.2 mm? -55.0 -37.07 66.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.007 0.432 . . . . 0.0 111.055 176.771 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 2.0 m170 -66.94 -40.39 87.57 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.671 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' B' ' 410' ' ' ASN . 36.0 mtp180 -78.64 -49.29 13.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.598 -178.401 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -62.98 -35.15 79.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.932 -175.09 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.559 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -84.65 -25.92 28.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.77 -179.209 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.621 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.7 tt0 -59.26 -25.44 64.08 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 122.672 0.389 . . . . 0.0 111.708 -175.086 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.17 -11.15 70.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.506 178.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 120.97 -20.41 8.59 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.189 178.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.515 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.8 mt -80.02 117.28 25.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.684 0.278 . . . . 0.0 110.67 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.492 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -136.38 162.58 32.64 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.032 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.745 ' HB3' ' HG3' ' B' ' 425' ' ' LYS . 13.6 t70 -147.02 155.39 42.2 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.533 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.07 -23.86 67.29 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.364 -174.849 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.7 m -68.42 -36.06 78.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.437 0.637 . . . . 0.0 109.446 174.837 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.745 ' HG3' ' HB3' ' B' ' 422' ' ' ASP . 23.7 mttm -74.13 -39.39 63.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.974 -177.455 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -59.72 -44.88 93.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.185 178.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 8.6 mm-40 -66.52 -39.79 88.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.598 175.659 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.62 ' O ' HG23 ' B' ' 432' ' ' VAL . 0.4 OUTLIER -60.18 -40.41 89.89 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.272 177.796 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' B' ' 412' ' ' LEU . 12.2 mt -58.71 -50.57 73.4 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.205 -179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.448 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 72.9 m95 -64.35 -30.89 71.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.183 0.302 . . . . 0.0 110.876 177.187 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.616 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 48.1 mt-10 -65.08 -55.62 17.73 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.645 178.4 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 428' ' ' ARG . 2.2 t -62.36 -36.02 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.816 0.817 . . . . 0.0 109.038 179.623 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 429' ' ' LEU . 25.6 tp60 -56.62 -57.02 14.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.084 -1.417 . . . . 0.0 111.818 178.711 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.616 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 3.7 ptm180 -60.52 -28.16 68.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.899 -177.149 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' B' ' 432' ' ' VAL . 55.9 mt -71.4 -49.2 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.336 177.67 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.457 HD11 HG23 ' B' ' 402' ' ' ILE . 26.1 tp -63.12 -41.15 99.27 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 5.1 t -65.88 -39.74 90.94 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.15 0.5 . . . . 0.0 110.032 179.616 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.15 -37.57 81.18 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.134 176.391 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.642 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.9 mp -61.69 -40.44 94.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.744 179.493 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -60.21 -42.7 95.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 176.12 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -45.96 90.37 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.927 176.363 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.7 mmmm -59.17 -32.65 70.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.395 -179.765 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 443' ' ' LEU . 0.5 OUTLIER -62.81 -45.98 90.11 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.182 0.515 . . . . 0.0 109.925 176.602 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -80.85 -4.61 55.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.286 -179.519 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -96.84 -9.99 27.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.038 -178.226 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.32 179.705 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.657 " H1'" ' HE2' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 181' ' ' MET . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 65.63 -176.97 0.18 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.456 0.646 . . . . 0.0 111.893 177.089 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -108.3 -54.65 2.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.22 175.272 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.2 t -84.19 123.92 30.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.247 176.389 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 180' ' ' LYS . 74.9 mt -104.06 -33.86 8.63 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.394 -177.556 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 55.41 13.23 0.87 Allowed 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 174.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.2 tp -155.29 130.26 9.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.699 0.285 . . . . 0.0 110.327 -178.01 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -138.06 136.53 36.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.816 177.017 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -106.43 106.85 17.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.337 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -112.84 137.42 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.489 178.195 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.21 120.56 46.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.663 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 43.3 mtt -86.56 139.06 31.21 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 172.443 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 91' ' ' LEU . 23.1 m -110.09 170.78 3.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.197 179.327 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.26 150.74 5.51 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.927 178.94 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -80.05 94.93 6.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.362 0.601 . . . . 0.0 109.893 176.646 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.61 -83.52 0.71 Allowed Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -173.7 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.01 -43.24 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.293 177.91 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' ' 93' ' ' PHE . 58.2 t 70.14 -58.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 123.526 0.73 . . . . 0.0 111.208 179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.23 22.93 0.06 OUTLIER Glycine 0 C--N 1.313 -0.698 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 179.052 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.016 ' HE2' ' HA ' ' A' ' 68' ' ' ASP . 86.7 tttt -66.43 -60.08 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.67 -0.765 . . . . 0.0 111.81 -174.227 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 32' ' ' LEU . 44.1 m -59.72 -22.5 62.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.809 -177.38 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.27 -49.0 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.933 0.397 . . . . 0.0 110.958 179.234 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.7 mt -73.52 -32.93 64.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.626 -175.415 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 38.1 p -66.12 -47.38 74.33 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.055 -178.898 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 28' ' ' SER . 4.2 mm? -61.14 -33.64 73.72 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.428 179.185 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HB2' HG11 ' A' ' 165' ' ' VAL . 18.3 mm-40 -59.43 -45.01 92.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.545 176.15 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -72.24 -28.63 63.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.317 0.58 . . . . 0.0 110.677 179.381 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 69.1 mtp -78.01 -59.62 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.067 -176.255 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -114.37 3.12 14.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -173.18 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 30.9 t70 74.07 -19.32 0.36 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.278 0.631 . . . . 0.0 112.074 177.216 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -98.3 151.49 20.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.087 0.47 . . . . 0.0 111.388 -178.023 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -75.8 147.75 38.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.182 -179.202 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.36 108.04 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.406 -178.303 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.08 -54.21 4.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 175.172 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -155.24 90.44 1.27 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.276 178.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -153.25 102.56 2.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.125 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.529 ' CD ' HNB3 ' A' ' 500' ' ' GNP . 4.4 mm-40 -105.07 -49.53 0.12 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -174.814 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -48.65 101.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.545 2.163 . . . . 0.0 113.808 -176.685 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.537 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 1.0 OUTLIER -155.27 52.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.611 177.028 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -73.23 -59.55 2.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.123 -174.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.505 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.61 -48.15 1.4 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.436 0.636 . . . . 0.0 110.528 176.635 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -80.29 136.4 36.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.165 -175.916 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 19.4 m -126.81 -172.66 2.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.016 178.397 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -114.86 144.73 43.06 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.621 ' HD3' ' HB3' ' A' ' 63' ' ' GLN . 39.4 ttm180 -93.18 146.45 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.907 0.384 . . . . 0.0 110.303 -178.475 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HG3' HG13 ' A' ' 55' ' ' VAL . 56.0 tptt -118.92 133.59 55.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.684 -178.844 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -97.84 127.36 43.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 171.636 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG13 ' HG3' ' A' ' 53' ' ' LYS . 16.1 m -136.43 144.54 32.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 175.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 56' ' ' VAL . 10.2 p -111.6 105.56 19.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-O 121.776 0.798 . . . . 0.0 109.504 174.836 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.01 99.3 11.08 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.285 178.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 77.09 -39.62 0.33 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.57 -1.196 . . . . 0.0 113.145 175.59 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.61 -68.71 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 119.046 -1.549 . . . . 0.0 115.39 -170.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 62' ' ' VAL . 9.8 pt-20 -92.62 138.65 31.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.184 0.492 . . . . 0.0 111.153 -171.586 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -68.76 110.85 4.52 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 170.11 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 60' ' ' GLU . 6.9 t -106.87 151.94 8.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.824 -174.323 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.621 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 47.6 mt-30 -110.54 116.98 32.33 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.325 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 HD12 ' SD ' ' A' ' 173' ' ' MET . 15.6 tt -106.61 111.89 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.975 0 CA-C-O 121.886 0.85 . . . . 0.0 109.144 178.152 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' HB3' ' CE ' ' A' ' 16' ' ' LYS . 16.3 t70 -90.22 125.87 35.63 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.064 -175.735 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' SER . 38.2 mm -106.63 145.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.35 -171.052 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD22 ' CZ2' ' B' ' 430' ' ' TRP . 52.2 tp -127.35 104.05 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 177.312 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 1.016 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 15.5 t70 -97.45 144.53 27.08 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 171.468 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -133.82 140.48 46.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -165.434 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.05 94.14 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 169.575 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.58 77.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.721 -177.714 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -142.74 172.13 13.11 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.477 0.179 . . . . 0.0 110.579 179.865 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -72.45 -19.63 61.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.854 -171.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.524 ' HB2' HD13 ' A' ' 72' ' ' LEU . 5.2 m-20 -68.36 -69.4 0.33 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.563 0.697 . . . . 0.0 111.101 -178.394 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HB3' HG13 ' A' ' 78' ' ' ILE . 55.3 m-85 -84.17 65.29 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.319 -174.567 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.72 -28.93 70.29 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.143 178.289 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.88 -6.3 40.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.525 -179.078 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.612 HG12 ' CE1' ' B' ' 413' ' ' HIS . 30.8 mt -98.95 -27.42 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.752 0.31 . . . . 0.0 110.601 179.171 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -92.41 -65.5 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.67 -58.6 3.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.664 -170.398 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.26 -17.64 63.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.824 -172.347 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.431 ' OH ' HD11 ' B' ' 409' ' ' LEU . 0.0 OUTLIER -87.04 -12.42 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.293 -175.642 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -74.43 2.65 9.0 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 178.169 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.549 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 3.5 tmt_? -62.19 -63.84 1.12 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.101 -176.005 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.525 ' HB3' ' CD1' ' B' ' 430' ' ' TRP . 7.0 t -95.12 44.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.324 0.583 . . . . 0.0 110.515 -175.168 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.72 133.41 11.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.969 179.1 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 42.0 mt-10 -89.51 -70.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 0.0 110.045 -179.8 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.26 139.65 14.65 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.215 -178.214 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -123.2 137.68 54.83 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.361 0.6 . . . . 0.0 111.454 -176.699 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 87.9 mt -111.26 116.55 31.21 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.183 178.167 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 125' ' ' VAL . 38.0 mt -87.68 107.39 18.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.519 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.7 t -108.45 127.57 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.93 -175.383 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.587 ' HA ' HG11 ' A' ' 25' ' ' VAL . 5.7 p90 -146.71 158.83 43.99 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 175.863 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 p -100.21 141.91 32.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.676 0.274 . . . . 0.0 110.496 177.462 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -78.79 24.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.059 0.457 . . . . 0.0 112.225 -175.512 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.461 HG21 HD13 ' A' ' 132' ' ' LEU . 36.5 p -121.61 -31.53 3.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.983 0.421 . . . . 0.0 110.541 174.489 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -94.12 99.36 11.65 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.392 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -74.54 -19.7 60.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.017 -175.724 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.99 -43.39 95.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.502 176.06 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -64.06 -33.99 77.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.338 177.31 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -69.57 -17.18 63.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.364 0.602 . . . . 0.0 110.835 176.645 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.0 m -89.7 -28.54 19.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.521 0.677 . . . . 0.0 109.709 175.845 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.21 -20.48 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.579 -179.047 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.643 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 2.5 p -62.08 -31.67 72.13 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.824 0.345 . . . . 0.0 111.518 179.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.77 88.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.042 0.449 . . . . 0.0 109.937 175.071 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -62.36 -45.65 92.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.753 178.245 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.643 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 16.9 m-85 -57.51 -49.11 77.37 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.188 -179.424 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -56.31 -51.17 69.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.653 -179.166 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.79 -37.17 83.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.576 -179.364 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.94 -35.74 81.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.224 0.535 . . . . 0.0 110.081 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 107' ' ' PHE . 98.3 mt -61.05 -40.11 84.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.964 178.597 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -77.94 -38.68 44.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.77 178.623 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -57.65 -41.39 81.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.88 0.371 . . . . 0.0 111.556 -177.619 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.525 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.2 m -82.22 -8.83 11.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.82 -178.414 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HD2' ' HG2' ' A' ' 118' ' ' GLU . 37.8 mtmm -138.38 -112.42 0.16 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.193 -179.126 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 61.5 11.36 3.74 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.326 0.65 . . . . 0.0 111.412 -176.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -129.22 2.97 5.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.956 -176.297 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HG2' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.35 -78.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.418 -177.295 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' H ' ' CD ' ' A' ' 118' ' ' GLU . 27.1 t70 -156.98 -80.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.426 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.792 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 74.2 mmtt -144.44 136.27 25.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.822 0.344 . . . . 0.0 110.437 -176.907 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 71.5 mt -119.38 111.15 36.78 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.785 -177.296 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.431 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 83.6 Cg_endo -89.51 138.72 3.23 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 123.035 2.49 . . . . 0.0 112.445 176.134 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.9 mp -128.01 133.33 49.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 111.249 -178.501 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.824 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.7 tp -128.2 123.3 33.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.511 175.348 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.79 HG22 HD12 ' A' ' 91' ' ' LEU . 12.3 t -92.73 129.08 43.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.822 -178.715 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.7 t -113.25 124.66 70.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.538 -176.26 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.82 112.62 4.05 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.422 178.034 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -101.02 157.8 16.49 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.435 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.462 ' HE3' ' C5 ' ' A' ' 500' ' ' GNP . 46.0 mmtm 70.37 19.06 6.56 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.064 0.546 . . . . 0.0 111.559 179.882 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.5 t -59.89 -18.85 47.9 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.518 0.675 . . . . 0.0 109.95 177.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.55 -22.2 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.777 -1.101 . . . . 0.0 111.861 175.891 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 96' ' ' THR . 92.0 mt -72.0 -63.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.564 178.482 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 65.11 -67.37 0.13 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.61 0.764 . . . . 0.0 112.684 177.384 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.06 -34.46 78.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.036 0.446 . . . . 0.0 111.273 -177.772 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -92.3 17.09 10.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.567 -177.679 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.7 113.7 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -177.6 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.55 -16.46 17.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.6 -178.218 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.5 t -102.73 111.34 64.76 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 170.857 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.729 ' O ' ' HG2' ' A' ' 142' ' ' GLU . 45.2 Cg_exo -56.36 101.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.572 1.515 . . . . 0.0 109.636 172.364 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.6 p -65.8 -11.84 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.227 0.537 . . . . 0.0 110.725 -168.329 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 1.7 mp0 -56.48 -42.64 78.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.583 175.001 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.729 ' HG2' ' O ' ' A' ' 139' ' ' PRO . 11.2 pt-20 -72.12 -27.59 62.72 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.818 0.342 . . . . 0.0 110.368 -179.703 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.79 -42.74 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.2 0.524 . . . . 0.0 110.192 176.849 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 144' ' ' ARG . 11.2 mtp180 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.29 177.257 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.2 t -64.49 -45.53 86.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.709 175.689 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 62.5 mmtt -61.56 -33.02 73.14 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.432 -177.57 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -56.57 -47.73 78.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.411 . . . . 0.0 110.494 175.605 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -72.48 -32.85 66.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.651 -179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.42 -39.03 81.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.419 -179.051 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -84.73 -19.64 32.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 110.614 -179.459 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.88 30.25 18.34 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.625 -179.099 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.9 m -119.02 -168.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.088 0.47 . . . . 0.0 110.674 -178.827 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.824 ' HG2' HD13 ' A' ' 124' ' ' LEU . 9.3 pm0 -118.71 149.68 41.03 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.661 177.129 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.54 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 49.2 t80 -129.11 118.94 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 178.033 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -123.2 130.9 74.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.514 -178.273 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -90.09 138.37 31.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.292 179.883 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 36.1 p -128.75 143.51 50.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.168 0.508 . . . . 0.0 111.613 -175.719 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.61 108.76 12.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.422 172.856 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -77.23 -7.59 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.102 -176.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -75.95 -44.9 37.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.337 0.589 . . . . 0.0 110.232 178.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.7 p -95.03 -6.22 42.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.588 -178.342 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 60.66 70.45 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.194 -175.704 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -134.52 133.44 40.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.577 -176.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 66.46 15.29 10.06 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.497 175.731 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.499 HG11 ' HB2' ' A' ' 33' ' ' GLN . 59.6 t -73.09 -56.28 10.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.778 0.323 . . . . 0.0 110.69 -178.303 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.83 -35.65 73.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.201 0.524 . . . . 0.0 110.763 178.725 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -53.76 -51.18 64.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.087 -176.67 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 165' ' ' VAL . 33.5 m -66.57 -28.24 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -174.722 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -75.37 -56.3 4.85 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.811 176.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -61.87 -35.15 77.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.55 -175.171 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.29 -51.71 68.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.993 0.425 . . . . 0.0 110.572 -179.862 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.0 tp -65.24 -40.03 93.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.065 178.581 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.561 ' SD ' HD12 ' A' ' 64' ' ' ILE . 64.8 mtp -58.62 -36.09 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.498 -179.859 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -65.71 -46.72 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.314 -0.155 . . . . 0.0 111.03 178.294 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -60.64 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.702 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 172' ' ' LEU . 68.8 mt -57.79 -30.61 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.423 ' O ' ' HG3' ' A' ' 181' ' ' MET . 56.6 mtm180 -59.97 -51.66 68.72 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.468 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.7 m -59.0 -39.3 81.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.032 -179.872 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.792 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.4 mptt -64.96 -51.83 59.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.3 178.663 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 12' ' ' LEU . 29.1 mtpp -70.53 -26.2 63.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -176.504 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.477 ' HA ' ' N ' ' A' ' 8' ' ' GLY . 64.1 mtt -78.92 -27.19 43.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 25.1 m 66.05 169.34 0.22 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.172 -0.922 . . . . 0.0 112.235 174.677 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.66 ' HG2' ' H ' ' A' ' 185' ' ' LYS . 35.9 tt0 -109.68 -86.0 0.53 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.802 177.779 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 61.06 18.09 8.63 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.673 0.749 . . . . 0.0 111.127 178.135 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.66 ' H ' ' HG2' ' A' ' 183' ' ' GLU . 30.8 mmtp . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.21 -178.344 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.487 0 N-CA-C 111.818 -0.513 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 13.7 p -128.91 -3.67 5.17 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.672 0.749 . . . . 0.0 109.749 177.804 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -71.02 -47.02 61.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.774 -172.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.551 ' O ' HG12 ' B' ' 398' ' ' ILE . 17.1 m -75.21 -41.54 57.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.255 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -61.73 -31.84 72.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.138 -178.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -54.48 -55.16 31.82 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.419 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.97 -35.46 91.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.075 -179.777 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.551 HG12 ' O ' ' B' ' 394' ' ' THR . 50.0 mm -60.28 -50.33 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.421 178.27 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.96 -34.22 77.03 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.208 -177.469 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 46.1 mt-10 -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.114 0.483 . . . . 0.0 110.231 176.495 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' B' ' 404' ' ' ARG . 47.1 mt-10 -74.11 -33.51 63.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.293 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.471 HG13 ' O ' ' B' ' 398' ' ' ILE . 81.9 mt -57.86 -53.81 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.563 176.765 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 403' ' ' ARG . 43.7 mtp180 -61.94 -33.29 74.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.138 0.494 . . . . 0.0 110.8 179.447 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 67.7 ttt180 -58.05 -50.48 73.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.9 177.426 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.616 ' OE1' HG23 ' B' ' 432' ' ' VAL . 81.4 mm-40 -76.51 -27.54 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 35.8 mt-10 -59.95 -47.67 84.83 Favored 'General case' 0 C--O 1.226 -0.174 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 173.339 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -60.29 -48.84 80.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.934 176.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.8 mt -60.26 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.302 -177.529 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.456 HD13 HG13 ' B' ' 432' ' ' VAL . 35.0 tp -66.49 -37.36 84.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.468 179.652 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.41 -45.92 88.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.465 -179.72 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -60.77 -50.08 74.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.854 -178.79 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.415 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 92.9 mt -62.39 -31.65 72.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.329 -179.147 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.612 ' CE1' HG12 ' A' ' 78' ' ' ILE . 7.0 m-70 -70.48 -48.32 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.989 177.499 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.79 -33.67 75.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.238 -179.482 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -60.2 -54.68 42.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.807 -178.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.726 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 20.5 mt -67.62 -34.34 76.78 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.383 -179.116 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.15 -21.93 65.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.991 179.379 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -87.29 -9.38 73.07 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.539 179.239 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 108.0 -1.39 33.56 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.542 179.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.726 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 26.0 mt -92.74 146.0 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 177.745 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.488 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -155.9 150.73 26.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.507 0.67 . . . . 0.0 111.397 175.148 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.439 ' H ' ' HG3' ' B' ' 425' ' ' LYS . 17.3 t70 -149.21 149.08 30.41 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 171.461 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.516 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 2.7 pt? -61.22 -26.59 67.85 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.314 -177.099 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.0 m -65.29 -34.73 79.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.416 178.821 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.439 ' HG3' ' H ' ' B' ' 422' ' ' ASP . 6.9 mttt -73.16 -42.4 62.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 -176.66 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.516 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 26.4 mt-10 -60.05 -48.44 81.72 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.009 -176.503 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 42.9 mt-10 -69.41 -41.56 76.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.253 -178.27 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.545 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.4 tpt180 -67.34 -32.08 72.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.316 179.431 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.415 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.1 mt -56.42 -47.35 79.24 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.038 177.928 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.531 ' CZ2' HD22 ' A' ' 67' ' ' LEU . 49.5 m95 -70.03 -35.61 74.43 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.208 -0.597 . . . . 0.0 111.546 178.411 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' B' ' 427' ' ' GLU . 51.2 mt-10 -63.25 -54.61 34.6 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.7 p -60.6 -35.15 61.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.089 0.471 . . . . 0.0 110.548 179.891 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -56.29 -48.1 77.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.494 175.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.476 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 16.1 mtp180 -63.39 -35.31 80.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.254 179.157 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' B' ' 432' ' ' VAL . 28.9 mt -74.63 -45.5 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.011 -178.079 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.444 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -56.92 -42.51 80.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.732 0.301 . . . . 0.0 110.979 178.198 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 13.4 t -74.26 -35.5 63.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.79 0.328 . . . . 0.0 111.14 -177.668 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.36 80.22 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.284 0.564 . . . . 0.0 109.88 176.509 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -34.61 78.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.536 177.211 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -62.51 -35.88 80.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.94 0.4 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -65.14 -45.68 84.03 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.545 ' HB3' HD12 ' B' ' 398' ' ' ILE . 32.2 mmmt -58.5 -35.92 72.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.345 178.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.414 ' HB2' HD11 ' B' ' 402' ' ' ILE . 57.5 tp -63.31 -48.31 78.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.708 0.29 . . . . 0.0 110.971 178.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -82.49 -1.96 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.27 0.557 . . . . 0.0 110.47 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.62 -24.88 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.925 178.893 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.394 -0.813 . . . . 0.0 110.563 179.954 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.529 HNB3 ' CD ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.6 HE22 ' HA ' ' A' ' 181' ' ' MET . 11.0 pt20 -84.84 -42.91 14.64 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.869 0.366 . . . . 0.0 110.202 179.093 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 54.3 m -160.97 158.94 28.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.2 m -75.05 116.8 16.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.138 0.494 . . . . 0.0 110.299 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 180' ' ' LYS . 25.1 mt -106.84 29.53 6.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.09 -178.358 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.05 -0.73 56.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.108 -0.497 . . . . 0.0 112.014 -171.114 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.68 123.2 48.16 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.38 178.922 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' ND1' ' HG3' ' A' ' 173' ' ' MET . 47.1 m-70 -134.1 123.4 24.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.142 -177.145 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HD2' ' HB3' ' A' ' 65' ' ' ASP . 15.6 mmtp -105.76 115.53 30.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.48 . . . . 0.0 111.399 -179.585 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.84 116.02 44.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.096 179.346 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.5 mt -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.763 -178.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.444 ' HG2' HD12 ' A' ' 90' ' ' LEU . 90.5 mtp -95.41 108.52 20.73 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.619 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG11 ' CZ ' ' A' ' 83' ' ' PHE . 35.1 m -104.8 160.37 5.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.813 -173.851 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.2 161.03 22.01 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.411 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -86.9 109.33 19.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 -179.211 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.41 -102.48 1.11 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.6 -176.679 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA3' ' O1B' ' A' ' 500' ' ' GNP . . . -142.97 86.05 0.19 Allowed Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.233 178.387 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.69 HG11 ' HA ' ' A' ' 93' ' ' PHE . 2.9 t -88.16 41.6 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.734 0.778 . . . . 0.0 109.957 177.299 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.43 22.19 77.66 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.529 -0.76 . . . . 0.0 113.051 -179.565 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -83.29 17.04 2.21 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.876 0.338 . . . . 0.0 111.835 -174.903 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -117.78 -15.64 10.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.002 0.43 . . . . 0.0 110.237 171.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -71.52 -54.56 10.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -176.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD22 HG13 ' A' ' 165' ' ' VAL . 80.9 mt -61.54 -32.79 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 HG21 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -65.29 -36.9 85.5 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.193 -178.05 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 40' ' ' VAL . 1.2 tm? -74.32 -40.28 62.32 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.433 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.677 HE22 ' HA ' ' A' ' 39' ' ' PHE . 79.8 mm-40 -55.07 -50.71 68.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.161 176.47 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' HE2' HD13 ' A' ' 64' ' ' ILE . 49.9 t80 -73.21 -0.86 15.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.579 -179.604 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 50.4 ttm -105.39 -53.06 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.942 -0.474 . . . . 0.0 111.721 -177.531 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' GLU . 57.2 m-85 -116.62 8.2 13.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -176.337 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 3.9 m-20 73.24 -28.25 0.19 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.533 0.733 . . . . 0.0 112.492 176.174 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 36' ' ' TYR . 15.7 mm-40 -97.32 -178.69 4.25 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.053 0.454 . . . . 0.0 110.913 -175.158 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' HA ' HE22 ' A' ' 33' ' ' GLN . 80.2 t80 -74.32 148.8 41.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.044 -174.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.455 ' HB ' ' HB3' ' A' ' 32' ' ' LEU . 3.4 p -74.41 106.49 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.892 -176.855 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -90.03 -43.95 10.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.483 175.293 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -156.43 158.63 37.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.423 177.661 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.419 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 11.1 t80 -155.61 91.88 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 45.7 mt-10 -61.28 -56.46 33.88 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.59 -174.554 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.606 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 41.6 Cg_endo -68.14 103.22 0.88 Allowed 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.629 1.553 . . . . 0.0 110.988 178.122 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -157.41 -22.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -171.807 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -84.95 -59.24 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.279 -0.568 . . . . 0.0 110.649 -178.032 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.89 -17.4 5.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.5 173.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 1.5 m-20 -81.62 143.99 31.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.334 -178.515 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 67.5 m -137.24 155.45 49.48 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.095 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.512 ' HA ' ' HG1' ' B' ' 437' ' ' THR . 34.9 t80 -127.6 117.5 22.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.002 0.43 . . . . 0.0 110.528 -174.268 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -99.67 161.71 13.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.391 -179.304 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 166.61 26.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.621 179.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -93.25 115.95 28.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.124 -178.634 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' HB ' ' A' ' 62' ' ' VAL . 30.7 m -118.3 147.94 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.11 178.397 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 61' ' ' GLU . 74.8 t -133.44 113.76 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.023 0.439 . . . . 0.0 111.428 179.496 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.3 mt -88.61 99.46 12.34 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 163.871 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -5.39 94.95 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.396 1.685 . . . . 0.0 113.734 -167.569 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.66 -79.52 0.2 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.478 -0.868 . . . . 0.0 113.204 -179.839 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.68 138.92 33.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.659 0.266 . . . . 0.0 111.237 -172.403 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HA ' HG22 ' A' ' 56' ' ' VAL . 43.0 mt-10 -77.98 105.99 9.55 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 171.216 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.403 ' HB ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -106.01 142.09 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 -169.839 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -112.43 115.86 29.38 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 170.519 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 34' ' ' PHE . 12.4 tt -104.0 110.85 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-O 121.852 0.834 . . . . 0.0 109.329 179.658 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.614 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 21.1 t0 -95.59 109.54 21.76 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.742 -1.117 . . . . 0.0 108.947 -174.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.539 HG21 HG23 ' A' ' 31' ' ' THR . 48.6 mm -109.12 121.97 63.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.31 -175.638 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.0 tp -97.87 121.86 40.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.375 -178.32 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -105.7 150.52 25.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 170.167 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 p -141.65 160.59 39.86 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -166.16 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.49 120.01 22.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.188 170.103 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.48 70.47 2.8 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.328 -176.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -155.63 168.8 25.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.688 0.28 . . . . 0.0 110.737 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -86.14 -18.73 31.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.754 -174.928 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -55.48 -67.03 0.32 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.725 0.774 . . . . 0.0 110.596 178.459 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HB3' HG13 ' A' ' 78' ' ' ILE . 84.3 m-85 -83.8 61.44 6.36 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.831 -178.644 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.63 -23.95 60.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.605 175.277 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -68.6 -6.16 24.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.62 178.491 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.5 HG13 ' HB3' ' A' ' 75' ' ' TYR . 44.3 mt -101.14 -21.67 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.006 0.432 . . . . 0.0 110.025 176.372 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -91.93 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.794 179.483 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 8.0 t70 -62.4 -51.38 67.77 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.297 0.57 . . . . 0.0 111.345 -175.322 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.568 ' HB3' HD12 ' B' ' 429' ' ' LEU . 87.0 m-20 -68.58 -19.84 64.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.559 -170.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.33 -38.23 11.6 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.196 177.219 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.9 m-85 -54.8 -31.59 59.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.882 0.372 . . . . 0.0 111.572 179.899 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 80' ' ' ASP . 29.5 mmt180 -52.57 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.975 -175.892 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.494 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 11.8 m -86.29 29.33 0.76 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.4 151.29 19.96 Favored Glycine 0 CA--C 1.521 0.411 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.483 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 43.1 mt-10 -103.13 -74.85 0.62 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.842 0.353 . . . . 0.0 110.411 177.802 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.69 148.02 18.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.226 -177.86 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -125.25 127.31 46.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.083 0.468 . . . . 0.0 111.411 -178.064 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.54 HD23 ' HB3' ' A' ' 124' ' ' LEU . 73.8 mt -98.12 110.15 22.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.054 175.682 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.421 HD23 ' CB ' ' A' ' 104' ' ' THR . 11.1 mp -92.19 106.99 18.89 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.726 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.607 HG12 ' HB ' ' A' ' 126' ' ' VAL . 27.8 m -108.02 134.95 48.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 120.982 0.42 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' HA ' HG11 ' A' ' 25' ' ' VAL . 29.9 p90 -142.54 147.65 36.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.92 178.062 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.5 t -83.96 138.13 33.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.701 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -68.89 -3.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.702 0.287 . . . . 0.0 111.749 -179.721 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.527 ' CG2' HD22 ' A' ' 132' ' ' LEU . 12.1 p -87.56 -17.6 31.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.28 171.076 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -108.72 92.15 3.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.744 -173.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.22 -25.82 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.343 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -68.96 -46.1 69.01 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.04 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.5 m -65.3 -31.15 72.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.275 177.039 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -62.59 -43.78 97.96 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 173.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.4 m -68.84 -27.75 66.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.228 0.537 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.7 62.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.899 -178.648 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.421 ' CB ' HD23 ' A' ' 91' ' ' LEU . 49.5 p -58.82 -33.97 70.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.991 0.424 . . . . 0.0 110.781 177.366 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.32 -37.94 84.12 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.478 177.305 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.77 -47.98 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.441 178.753 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.538 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.7 m-85 -58.27 -46.26 86.34 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.35 177.26 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -55.65 -51.03 68.6 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -178.516 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.14 -37.48 87.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.349 -179.48 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -39.4 94.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.8 0.333 . . . . 0.0 110.212 178.707 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 107' ' ' PHE . 99.2 mt -59.08 -48.46 86.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.647 178.39 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 10.6 mp -66.71 -37.41 84.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 178.576 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -61.35 -37.98 85.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.746 0.308 . . . . 0.0 111.313 -178.04 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.734 HG23 ' HG3' ' A' ' 115' ' ' LYS . 32.0 m -95.48 -3.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.712 -175.807 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.734 ' HG3' HG23 ' A' ' 114' ' ' VAL . 26.4 mtpp -133.99 -90.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.33 -0.231 . . . . 0.0 110.691 -177.748 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 65.76 -61.05 0.27 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 177.508 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.51 36.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 122.813 0.445 . . . . 0.0 111.262 -173.544 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.611 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 4.5 mm-40 -99.69 -172.12 2.19 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.609 -173.73 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.59 -71.91 0.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.9 175.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -144.95 133.41 21.9 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 59.8 mt -111.73 101.5 51.36 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 120.778 0.323 . . . . 0.0 110.36 179.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 0.9 OUTLIER -84.51 123.55 2.97 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.276 2.651 . . . . 0.0 112.533 179.141 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.76 159.14 19.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.617 178.223 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.644 HD13 ' HG3' ' A' ' 153' ' ' GLN . 8.0 tp -150.62 121.33 7.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.613 174.37 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.442 ' N ' HD12 ' A' ' 124' ' ' LEU . 18.3 t -97.47 117.82 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.537 -179.665 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.607 ' HB ' HG12 ' A' ' 92' ' ' VAL . 22.8 t -109.78 132.33 58.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.874 -173.511 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -88.7 94.54 2.0 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 177.145 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -82.45 164.84 20.7 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.79 0.329 . . . . 0.0 111.347 -175.598 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.524 ' HA ' ' C6 ' ' A' ' 500' ' ' GNP . 5.8 mmmm 70.41 28.12 3.81 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.594 170.555 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.7 t -72.02 84.18 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.596 0.712 . . . . 0.0 109.505 178.064 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 160' ' ' LYS . 13.5 t70 -154.87 -39.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.756 -176.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.612 HD11 HG12 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -60.68 -29.64 69.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.839 176.472 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 49.21 -68.83 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.448 1.499 . . . . 0.0 114.761 -177.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 132' ' ' LEU . 11.3 pt-20 -75.98 -22.63 55.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 118.086 0.403 . . . . 0.0 111.129 -170.829 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.446 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 99.7 mtt180 -83.78 12.18 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.248 -178.344 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.647 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 41.8 ttm105 -64.41 112.48 3.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.267 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -101.96 -11.55 18.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.775 -175.31 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.3 p -114.73 113.5 44.79 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 176.961 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.61 129.45 33.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.377 2.051 . . . . 0.0 111.397 177.297 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.8 t -60.26 -19.44 18.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.005 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.55 -56.3 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.051 179.187 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.3 -28.29 65.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.91 -178.143 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.2 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 176.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 79.1 mtp180 -69.38 -33.32 72.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.115 179.163 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -56.08 -56.77 16.75 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 174.818 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -59.4 -39.02 82.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.732 -178.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.08 83.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.458 . . . . 0.0 110.368 175.537 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -66.95 -37.35 84.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.771 179.338 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.02 -37.65 88.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 179.35 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.0 m0 -88.5 -7.06 57.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.83 -178.059 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.26 35.52 52.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.184 -178.812 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.1 m -124.52 177.56 4.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.702 0.287 . . . . 0.0 111.147 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.644 ' HG3' HD13 ' A' ' 124' ' ' LEU . 3.5 pt20 -98.81 161.4 13.66 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.826 178.198 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.442 ' CE2' HG13 ' A' ' 140' ' ' VAL . 91.6 t80 -131.92 121.59 24.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 175.149 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 42.1 t -134.26 134.22 55.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.272 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -86.17 135.0 33.76 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 174.898 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 40.2 p -118.82 145.3 45.76 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.22 0.533 . . . . 0.0 110.873 -177.882 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.2 p -126.83 113.39 16.53 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.159 176.445 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -80.76 1.17 31.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.518 0.675 . . . . 0.0 109.728 176.386 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 131' ' ' ASP . 21.5 tptm -80.11 -68.74 0.65 Allowed 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.206 178.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 3.0 p -93.7 0.23 56.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.301 -179.281 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 60.48 75.21 0.42 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.333 179.979 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -132.77 129.56 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.445 177.455 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 69.43 4.31 4.59 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.877 0.735 . . . . 0.0 111.794 177.869 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.442 HG13 HD22 ' A' ' 30' ' ' LEU . 95.8 t -65.18 -49.7 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.668 -177.223 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.03 -23.42 58.16 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -177.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -60.85 -54.52 44.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.601 -176.927 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 27.0 m -58.33 -28.2 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -175.281 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -74.71 -48.03 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.687 0.28 . . . . 0.0 110.688 177.164 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.61 -45.13 69.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.408 -178.576 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.45 -50.8 70.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.749 -177.823 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.04 -36.16 74.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.984 0.421 . . . . 0.0 110.554 -177.106 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.436 ' HG3' ' ND1' ' A' ' 15' ' ' HIS . 10.7 ttp -70.08 -31.3 68.82 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -178.836 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.728 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 6.6 mmt180 -63.95 -41.6 97.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.908 176.574 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -59.75 -32.35 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.132 177.249 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 68.3 mt -58.06 -36.49 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -178.602 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.728 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 20.6 ptt180 -68.11 -32.34 72.58 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.253 -179.036 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 11.0 m -70.55 -36.09 73.47 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -66.33 -39.17 89.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.194 175.192 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 66.2 mmtt -62.69 -54.64 36.3 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 110.768 177.334 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.6 ' HA ' HE22 ' A' ' 9' ' ' GLN . 65.0 mtt -69.59 -26.05 64.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.958 -174.352 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 50.7 m 68.3 174.24 0.28 Allowed 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.683 0.615 . . . . 0.0 110.557 -175.147 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.24 79.05 3.49 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.321 0.581 . . . . 0.0 111.318 -173.239 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -158.52 25.32 0.23 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 173.006 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.546 ' HG3' ' HB3' ' A' ' 181' ' ' MET . 73.9 mmtt . . . . . 0 C--O 1.246 0.912 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.869 -174.545 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.711 -0.555 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 3.5 p -92.35 14.75 15.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.701 0.25 . . . . 0.0 111.619 -177.542 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' B' ' 394' ' ' THR . 35.1 tt0 -61.29 123.39 17.61 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.917 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.598 ' O ' HG12 ' B' ' 398' ' ' ILE . 51.3 m 75.78 -45.57 0.54 Allowed 'General case' 0 C--N 1.334 -0.098 0 O-C-N 123.491 0.494 . . . . 0.0 110.542 -177.466 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 34.4 tt0 -55.01 -41.21 71.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.124 0.487 . . . . 0.0 110.221 178.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.14 87.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.314 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.53 -37.44 94.78 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.019 178.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.598 HG12 ' O ' ' B' ' 394' ' ' THR . 37.9 mm -58.27 -55.31 23.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.128 175.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' B' ' 402' ' ' ILE . 52.4 mtpt -60.92 -42.09 97.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.91 -174.44 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 403' ' ' ARG . 6.8 mm-40 -64.22 -39.21 93.49 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.295 -178.709 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' B' ' 439' ' ' LEU . 3.1 mm-40 -71.5 -36.9 71.26 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.523 175.703 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.708 HG12 ' HB3' ' B' ' 439' ' ' LEU . 97.1 mt -53.94 -54.21 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 172.739 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' B' ' 400' ' ' GLU . 44.5 mtm180 -62.77 -30.05 71.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.602 -178.882 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.508 ' HD2' ' OE1' ' B' ' 401' ' ' GLU . 22.6 ttm180 -71.41 -44.73 64.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.761 178.393 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 83.6 mm-40 -71.41 -34.11 70.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 110.27 178.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.48 ' HG2' HD21 ' B' ' 436' ' ' LEU . 98.2 mt-10 -62.7 -40.17 96.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.211 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -64.16 -44.4 92.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.701 175.74 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 77.9 mt -60.63 -45.46 93.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.296 177.63 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 15.0 tp -65.2 -45.63 84.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 0.0 109.708 179.194 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -56.34 -52.43 64.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.217 178.007 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -40.05 96.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.797 -0.183 . . . . 0.0 110.906 -178.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.577 HD12 ' HG ' ' B' ' 429' ' ' LEU . 0.5 OUTLIER -52.62 -50.72 62.53 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-O 121.196 0.522 . . . . 0.0 110.397 170.766 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 75.1 m-70 -67.83 -32.99 73.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.185 -177.415 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -75.71 -44.7 40.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -179.309 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.34 -46.44 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.483 0.658 . . . . 0.0 110.945 -177.139 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' B' ' 425' ' ' LYS . 69.7 mt -73.66 -25.77 60.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.914 -176.097 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 22.6 tt0 -54.11 -25.21 20.88 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.121 0.569 . . . . 0.0 112.233 -173.857 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.39 -5.17 85.44 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.941 -0.647 . . . . 0.0 113.252 -178.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 103.74 27.85 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.73 178.07 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 60.1 mt -99.58 131.48 46.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.557 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' B' ' 421' ' ' LYS . 0.1 OUTLIER -134.0 145.34 49.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.774 0.797 . . . . 0.0 112.41 -177.244 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.6 t70 -149.8 170.57 18.46 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.161 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.1 mp -70.79 -29.9 66.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.482 0.658 . . . . 0.0 109.236 174.137 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 7.4 m -66.02 -39.48 90.27 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.53 -177.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.648 ' HD2' ' N ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -65.97 -38.98 89.95 Favored 'General case' 0 C--N 1.334 -0.091 0 C-N-CA 120.603 -0.439 . . . . 0.0 112.066 -172.544 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.9 pt-20 -73.31 -40.48 64.47 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.782 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -63.24 -42.18 99.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.447 176.682 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.673 ' O ' HG23 ' B' ' 432' ' ' VAL . 36.3 mmt180 -67.56 -42.37 82.72 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.324 -179.845 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' B' ' 412' ' ' LEU . 7.5 mt -56.03 -51.82 66.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -178.24 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 77.9 m95 -65.48 -31.46 72.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 178.264 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.923 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 42.3 tt0 -65.85 -49.34 68.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 178.439 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 428' ' ' ARG . 37.7 t -57.39 -41.55 78.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.485 0.659 . . . . 0.0 109.414 177.093 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.628 HE21 ' HB ' ' B' ' 437' ' ' THR . 19.6 tp60 -56.77 -43.0 80.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.697 178.076 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.923 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 55.3 mtp180 -55.5 -51.73 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.408 0.623 . . . . 0.0 110.375 179.294 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' B' ' 432' ' ' VAL . 5.7 mt -64.65 -50.87 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.544 -177.323 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.595 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 23.8 tp -61.14 -41.69 97.18 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.559 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.628 ' HB ' HE21 ' B' ' 433' ' ' GLN . 5.6 t -66.39 -37.59 85.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.683 0.278 . . . . 0.0 110.808 -175.563 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -69.43 -35.97 76.21 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.36 0.6 . . . . 0.0 109.913 176.467 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.708 ' HB3' HG12 ' B' ' 402' ' ' ILE . 4.6 mp -65.94 -37.67 86.63 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.519 177.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' B' ' 436' ' ' LEU . 68.2 mmtt -59.05 -43.56 91.71 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.653 0.74 . . . . 0.0 109.336 175.349 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.2 tmt_? -62.85 -47.88 81.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.179 177.751 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.8 mmmt -65.57 -25.0 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.299 -179.149 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.632 ' HB2' HD11 ' B' ' 402' ' ' ILE . 53.3 tp -62.3 -44.34 96.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.025 0.44 . . . . 0.0 110.178 172.723 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 32.0 mtm105 -81.99 -5.65 58.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 110.454 178.761 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' B' ' 442' ' ' LYS . 1.8 tp10 -80.73 -35.66 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.971 177.383 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.439 ' HB3' ' HG3' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.654 -177.351 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.524 ' C6 ' ' HA ' ' A' ' 129' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' H ' ' HG2' ' A' ' 9' ' ' GLN . 11.5 pt20 -76.53 -59.43 2.77 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.617 0.208 . . . . 0.0 111.058 179.383 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -177.51 -93.11 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 176.119 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 m -109.95 4.31 21.34 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.087 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt 72.17 -54.29 0.68 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.679 -178.688 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . 63.15 17.04 9.87 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.461 0.705 . . . . 0.0 112.801 175.05 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD11 ' HE3' ' A' ' 16' ' ' LYS . 30.2 tp -122.61 127.66 49.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.108 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' C ' ' HD2' ' A' ' 16' ' ' LYS . 93.0 m-70 -137.46 138.72 40.05 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.217 -0.193 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.954 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -130.36 127.03 38.57 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.467 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.5 m -136.47 140.48 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -120.2 137.69 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 85.2 mmm -88.65 124.72 34.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.808 179.211 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD23 ' A' ' 91' ' ' LEU . 28.8 m -105.26 143.83 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 111.104 -179.081 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.17 161.38 11.11 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -179.114 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.435 ' HA ' ' HA3' ' A' ' 71' ' ' GLY . 12.4 t -81.44 70.47 8.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 117.501 0.651 . . . . 0.0 110.323 -175.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.47 -67.4 3.51 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.708 177.009 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.568 ' O ' ' HG3' ' A' ' 27' ' ' LYS . . . -79.3 -105.1 0.23 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 121.392 -0.433 . . . . 0.0 112.836 -178.064 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 25' ' ' VAL . 21.8 t 56.99 16.12 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 121.733 0.778 . . . . 0.0 111.386 -176.722 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 50.68 32.65 25.26 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.683 -0.69 . . . . 0.0 113.531 -178.538 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 24' ' ' GLY . 27.7 mtmm -68.13 -43.29 78.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 111.281 -175.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -65.66 -25.4 67.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.734 -174.608 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.94 83.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.987 -178.532 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.19 -41.97 63.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.089 -177.967 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.6 p -71.12 -31.34 67.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.039 -178.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 tp -66.2 -42.47 88.74 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.373 178.014 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 94.1 mt-30 -71.02 -26.52 63.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.88 0.372 . . . . 0.0 110.968 178.179 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -72.76 -30.63 64.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 177.475 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.452 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 70.1 mtm -98.81 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.454 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -83.72 -26.22 29.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.001 -177.165 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.9 t0 68.3 21.21 8.5 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.511 -179.164 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -113.13 142.69 45.46 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.233 176.123 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -76.37 140.07 41.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.229 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.77 111.48 4.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.713 0.768 . . . . 0.0 112.298 -172.901 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -106.11 -39.64 5.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.528 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -149.38 96.22 2.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.057 176.144 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -167.89 91.29 0.33 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.522 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.772 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 6.6 mm-40 -103.96 -39.37 0.19 Allowed Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.559 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.772 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 3.9 Cg_endo -46.97 101.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.364 1.362 0 C-N-CA 122.665 2.243 . . . . 0.0 113.194 179.112 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.598 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.05 39.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.104 176.549 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -85.31 -54.29 4.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.723 0.773 . . . . 0.0 108.979 -177.415 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.46 7.78 8.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.591 172.219 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.598 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.5 m-20 -79.39 121.37 25.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.361 -1.291 . . . . 0.0 111.157 -171.333 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.78 ' HB3' ' NE2' ' B' ' 433' ' ' GLN . 12.2 t -133.64 150.33 51.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.382 178.445 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -137.52 137.88 39.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -178.692 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -88.58 118.18 28.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.644 -178.122 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HG2' ' A' ' 35' ' ' MET . 60.8 tptt -103.14 128.19 50.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.607 -179.578 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -107.12 130.44 54.69 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.323 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 62' ' ' VAL . 14.2 m -132.29 145.95 33.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.785 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.5 p -100.97 104.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.788 0.804 . . . . 0.0 109.482 178.148 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.0 tp -96.74 108.43 21.08 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.017 -175.113 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 73.63 -29.56 0.2 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.994 -1.003 . . . . 0.0 113.183 175.931 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.22 -42.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 119.805 -1.188 . . . . 0.0 113.784 -178.338 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -102.02 149.02 24.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.457 0.629 . . . . 0.0 111.081 -178.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.0 mt-10 -81.78 122.09 27.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.555 -179.833 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.443 HG13 ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -107.09 149.03 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.923 -177.187 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.83 117.77 32.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.232 0.539 . . . . 0.0 110.922 -178.211 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.549 HD12 ' SD ' ' A' ' 173' ' ' MET . 18.5 tt -114.68 139.46 40.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.773 -178.394 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.954 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 51.9 t0 -108.47 116.88 32.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.484 -176.02 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.9 mm -109.07 126.93 66.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.28 -171.758 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 ' CH2' ' B' ' 430' ' ' TRP . 3.0 mt -131.04 126.29 35.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.249 0.547 . . . . 0.0 111.312 173.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' OD1' ' HE2' ' A' ' 27' ' ' LYS . 21.5 t0 -100.58 145.46 28.33 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 173.549 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.4 p -124.41 151.6 44.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -170.302 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.53 111.2 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.379 171.453 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.435 ' HA3' ' HA ' ' A' ' 22' ' ' SER . . . -83.43 63.66 4.43 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.731 -176.056 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -129.75 168.03 17.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.682 0.277 . . . . 0.0 110.977 -179.653 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -84.2 -12.41 54.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.539 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 72' ' ' LEU . 8.4 m-20 -64.9 -78.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.345 -177.632 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.534 ' H ' HD13 ' A' ' 72' ' ' LEU . 87.0 m-85 -85.09 81.33 8.91 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.051 -175.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.7 -18.58 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 175.626 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.836 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -70.25 -7.03 39.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.813 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.7 mt -99.51 -40.11 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.763 177.844 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 36.0 ptt180 -85.19 -64.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.052 -0.659 . . . . 0.0 111.825 -176.463 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 4.1 t70 -60.62 -43.74 97.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.818 0.818 . . . . 0.0 111.102 -177.027 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.836 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 44.7 m-80 -75.68 -27.2 58.2 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.41 -168.723 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.39 -34.86 15.49 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.912 175.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.662 ' HB3' HG21 ' A' ' 114' ' ' VAL . 5.7 m-30 -60.08 -22.84 63.25 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.717 0.294 . . . . 0.0 111.546 -179.48 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.731 HH21 ' HA ' ' A' ' 115' ' ' LYS . 3.7 mmp_? -56.78 -73.44 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.479 178.394 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.8 m -81.54 14.31 2.61 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.895 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' O ' ' HE2' ' A' ' 115' ' ' LYS . . . -99.66 104.07 2.79 Favored Glycine 0 C--O 1.223 -0.535 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.637 178.53 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.47 -60.8 2.17 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -172.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.14 144.18 16.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.597 -0.811 . . . . 0.0 113.137 -174.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -129.99 136.92 49.98 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 111.067 179.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 20' ' ' VAL . 86.6 mt -106.25 112.75 25.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.161 175.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.571 HD23 HG21 ' A' ' 20' ' ' VAL . 58.3 mt -83.96 106.77 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.249 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.4 t -111.4 142.98 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.704 -174.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -155.65 144.51 20.54 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 174.526 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.533 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 29.6 t -83.57 138.9 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 174.778 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.684 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -70.35 -7.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.827 0.346 . . . . 0.0 111.622 -178.462 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 132' ' ' LEU . 16.8 p -84.83 -19.05 33.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.249 0.547 . . . . 0.0 109.914 173.737 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 45.4 mt-10 -103.33 100.36 10.24 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.816 -174.326 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.12 -25.1 65.13 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.986 176.701 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.16 -49.2 46.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.103 -179.758 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 m -58.09 -36.92 73.55 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.723 0.297 . . . . 0.0 110.577 176.595 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -61.53 -40.23 93.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.853 176.658 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.2 m -76.0 -33.29 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.321 0.581 . . . . 0.0 110.495 -179.881 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.83 -14.85 63.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.211 -178.119 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.8 p -56.81 -37.84 71.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.98 0.419 . . . . 0.0 110.494 178.661 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.5 -43.1 98.21 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.335 177.33 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.44 -45.73 91.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.939 178.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.1 m-85 -58.69 -49.75 76.4 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 177.58 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 108' ' ' ARG . 34.8 ttt180 -53.78 -54.28 40.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.964 -178.347 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -68.53 -28.62 67.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.085 -176.98 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -70.1 -35.47 74.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.452 . . . . 0.0 110.027 178.564 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 107' ' ' PHE . 97.2 mt -62.44 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.416 175.598 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -64.54 -26.11 68.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.187 177.734 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -73.58 -49.09 28.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 177.409 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.662 HG21 ' HB3' ' A' ' 83' ' ' PHE . 27.0 m -74.88 -23.94 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -174.806 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.768 ' HD3' ' HG3' ' A' ' 118' ' ' GLU . 38.4 mttm -106.55 -85.91 0.49 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 65.65 -73.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.682 0.793 . . . . 0.0 113.07 -178.851 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.39 59.1 5.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.503 . . . . 0.0 111.334 -174.59 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.768 ' HG3' ' HD3' ' A' ' 115' ' ' LYS . 14.5 mm-40 -114.9 -170.37 1.73 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.385 -178.593 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -77.57 -71.93 0.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 172.466 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.667 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 31.8 mmmt -143.28 153.44 42.78 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.5 mt -122.35 105.94 36.04 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 116.378 -0.374 . . . . 0.0 109.992 177.594 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.486 ' HB2' HD11 ' A' ' 172' ' ' LEU . 55.8 Cg_endo -90.72 132.93 1.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.268 2.646 . . . . 0.0 112.667 179.526 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.539 HD23 HD11 ' A' ' 91' ' ' LEU . 5.6 mp -129.0 142.41 50.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 0.0 111.09 -178.598 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.93 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.4 tp -136.17 125.07 24.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.24 174.453 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.463 ' N ' HD12 ' A' ' 124' ' ' LEU . 15.3 t -92.58 125.77 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.959 -178.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.7 t -118.14 116.4 51.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.947 -176.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -90.48 102.23 2.89 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 173.15 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.602 ' HA ' ' O ' ' A' ' 157' ' ' THR . 32.9 p-10 -96.42 155.16 16.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.464 0.649 . . . . 0.0 112.353 -168.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 131' ' ' ASP . 54.6 mttt 70.28 57.36 0.27 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 114.415 -1.266 . . . . 0.0 111.299 177.122 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -78.74 15.79 0.99 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.271 0.558 . . . . 0.0 110.096 176.4 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 129' ' ' LYS . 18.7 t70 -75.5 -25.08 56.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.563 -178.177 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -73.06 -57.8 3.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.414 177.476 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 65.26 -67.02 0.13 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.765 0.826 . . . . 0.0 112.279 -179.465 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.885 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.0 pt-20 -57.74 -29.38 64.72 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.083 0.468 . . . . 0.0 111.957 -176.617 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.885 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 74.8 mtt180 -100.28 17.77 20.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.655 -171.823 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.68 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 35.4 ttm180 -63.93 111.97 2.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 175.274 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -86.13 -33.58 20.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.057 -172.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 p -105.87 122.42 42.54 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.468 179.424 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.17 113.27 1.27 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.409 2.073 . . . . 0.0 111.314 176.776 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.5 p -72.27 -12.02 15.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.085 0.469 . . . . 0.0 110.795 -171.889 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.46 -47.91 83.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.544 177.63 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.37 -20.59 54.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.854 0.359 . . . . 0.0 110.69 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.77 -36.41 80.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.181 0.515 . . . . 0.0 109.939 175.394 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 69.2 mtp180 -68.03 -32.56 73.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.804 176.152 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 18.8 t -68.38 -32.2 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.453 177.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -61.85 -40.27 94.75 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.722 175.599 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.63 -37.93 85.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.495 176.517 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -64.4 -42.26 96.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.051 178.547 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.25 -40.43 90.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.968 179.596 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -85.76 -5.67 59.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.747 0.308 . . . . 0.0 111.407 -175.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.95 35.94 80.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.185 -179.21 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.1 m -124.58 -174.02 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.751 0.31 . . . . 0.0 110.244 -178.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.93 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.3 pm0 -113.39 154.26 27.22 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.465 176.758 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -123.95 125.69 45.03 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.979 178.542 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 60.3 t -132.32 129.33 59.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.574 -178.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -87.79 125.94 34.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.917 0.389 . . . . 0.0 110.562 175.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.602 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 93.1 m -125.47 137.47 53.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.777 -176.578 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 64.6 m -124.06 110.95 15.38 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.842 0.353 . . . . 0.0 111.32 -178.314 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -76.71 -14.43 59.95 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.417 -178.521 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -78.49 -4.55 49.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.741 -176.555 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 7.1 0.79 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.893 0.377 . . . . 0.0 110.868 -177.719 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 31.6 ttt-85 62.94 33.8 14.65 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.267 175.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -105.12 126.91 52.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.527 -176.981 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 67.24 18.17 10.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.745 175.187 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.42 -47.34 66.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.083 0.468 . . . . 0.0 110.647 -177.688 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -76.29 -27.4 56.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.976 -178.218 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -55.27 -50.08 70.43 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.795 -177.428 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.5 m -65.0 -32.72 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -175.32 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -73.35 -55.95 5.72 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.375 -179.517 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 52.9 m-85 -61.91 -31.75 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.28 -176.643 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -51.92 62.21 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.897 0.379 . . . . 0.0 110.829 -178.894 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' PRO . 35.6 tp -67.93 -31.25 70.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.316 0.579 . . . . 0.0 110.253 -179.783 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.549 ' SD ' HD12 ' A' ' 64' ' ' ILE . 67.4 mtp -62.17 -32.04 72.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.487 179.186 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 24.6 mmt180 -61.33 -49.82 75.46 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.814 179.701 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.776 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 8.6 mm-40 -57.24 -35.88 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.426 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 65.0 mt -55.33 -27.42 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.902 0.382 . . . . 0.0 111.579 -175.074 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -70.23 -51.89 27.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 0.0 110.274 -179.722 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 2.5 m -65.45 -30.74 71.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.504 -174.306 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.776 ' HE2' ' HB3' ' A' ' 175' ' ' GLU . 59.1 mmtt -64.55 -39.8 94.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.076 0.465 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -74.14 -33.01 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.36 -179.69 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 65.5 mtt -81.14 -5.61 57.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.702 179.562 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 12.4 t 65.81 -170.84 0.19 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.714 178.381 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -93.5 -2.49 54.33 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.719 0.771 . . . . 0.0 109.093 177.284 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -98.39 20.56 12.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.542 -176.781 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 182' ' ' SER . 2.7 ptmm? . . . . . 0 C--O 1.244 0.788 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.453 177.407 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 30.5 t -85.94 117.05 24.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.739 0.304 . . . . 0.0 110.607 -179.909 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -101.63 -76.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.433 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.495 ' HB ' ' HB1' ' B' ' 446' ' ' ALA . 17.0 m -101.99 -6.73 23.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.561 0.696 . . . . 0.0 109.763 178.608 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -61.84 -26.77 68.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.831 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.38 21.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.55 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.36 -32.42 83.56 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.881 179.017 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 394' ' ' THR . 45.0 mm -64.11 -46.22 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 177.909 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -64.52 -38.89 92.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.5 0.191 . . . . 0.0 111.233 -179.367 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.37 -45.5 93.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 109.755 175.315 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.92 -44.5 80.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.287 -178.896 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.601 ' HA ' HD23 ' B' ' 439' ' ' LEU . 65.1 mt -54.13 -53.68 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.988 177.016 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -59.93 -33.56 72.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 0.0 111.019 -179.312 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -63.21 -47.41 82.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.77 176.311 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.672 HE21 HG23 ' B' ' 432' ' ' VAL . 16.2 mm100 -76.75 -31.58 57.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.662 -177.145 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.4 mt-10 -65.57 -36.29 83.34 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 175.044 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -67.98 -39.21 83.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.482 176.648 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' B' ' 432' ' ' VAL . 64.6 mt -60.49 -48.45 81.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.013 0.435 . . . . 0.0 110.083 175.031 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 16.0 tp -61.79 -43.64 98.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.554 0.692 . . . . 0.0 109.313 178.224 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -56.62 -44.17 80.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.674 -1.148 . . . . 0.0 111.789 176.336 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 13.3 t -62.36 -53.17 58.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.917 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.589 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.3 mm? -53.26 -41.97 66.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.972 0.415 . . . . 0.0 110.776 176.043 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.648 ' O ' ' HB2' ' B' ' 417' ' ' GLN . 4.0 m-70 -65.88 -32.25 73.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.668 178.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -79.46 -51.88 8.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.724 0.297 . . . . 0.0 111.662 177.496 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -62.9 -55.0 29.92 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.999 -175.866 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' B' ' 425' ' ' LYS . 3.1 mp -65.52 -25.55 67.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.427 -175.677 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.648 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 8.5 tt0 -61.96 -18.29 59.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.195 -177.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -73.88 -6.78 73.89 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.653 179.566 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 97.73 14.51 40.14 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.17 178.781 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.16 124.72 42.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.751 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' B' ' 425' ' ' LYS . 20.4 pttp -126.79 144.3 51.0 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 122.346 1.07 . . . . 0.0 113.019 -178.232 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 13.0 t70 -150.46 170.35 19.29 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 113.506 -1.679 . . . . 0.0 107.045 178.517 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 3.7 mm? -73.74 -35.04 64.99 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 171.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 70.4 m -65.37 -32.06 73.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.545 -178.73 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' B' ' 422' ' ' ASP . 0.0 OUTLIER -71.6 -35.98 70.68 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.271 -172.733 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.62 ' OE2' ' HD3' ' A' ' 84' ' ' ARG . 13.1 pt-20 -72.31 -42.8 65.05 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.145 178.21 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.21 -49.48 77.45 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 179.016 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.413 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.9 tpt180 -62.23 -39.81 94.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.772 -177.014 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' A' ' 81' ' ' ASN . 0.7 OUTLIER -60.88 -55.81 28.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.068 -179.104 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.642 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 74.6 m95 -63.11 -37.03 85.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.63 179.303 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.89 -55.57 32.56 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.736 0.272 . . . . 0.0 111.736 -176.859 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.672 HG23 HE21 ' B' ' 405' ' ' GLN . 7.6 p -63.15 -33.41 60.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.12 0.486 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.78 ' NE2' ' HB3' ' A' ' 50' ' ' SER . 37.3 tp60 -56.08 -52.37 64.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.944 178.106 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.648 ' HA ' HG22 ' B' ' 437' ' ' THR . 1.9 mpt_? -65.21 -34.92 79.5 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.355 -176.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' B' ' 432' ' ' VAL . 54.6 mt -61.13 -43.28 95.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.017 175.157 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' B' ' 406' ' ' GLU . 46.9 tp -65.23 -46.11 81.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.004 178.428 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.648 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.3 t -65.85 -35.91 81.98 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.946 0.403 . . . . 0.0 110.404 -176.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -68.55 -36.13 78.37 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.956 0.408 . . . . 0.0 109.958 173.905 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' B' ' 402' ' ' ILE . 1.1 mp -65.89 -34.73 78.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.619 178.736 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -65.81 -36.39 83.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.317 0.58 . . . . 0.0 109.762 175.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -67.32 -41.08 85.89 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 175.049 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 31.5 mmmt -58.05 -36.72 73.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.998 175.087 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' B' ' 402' ' ' ILE . 56.0 tp -60.91 -40.32 92.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.853 177.583 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -79.16 -12.29 59.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 179.191 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -97.58 -20.9 17.38 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.479 -178.675 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.611 -0.709 . . . . 0.0 111.876 -173.084 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.658 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' HA ' HD12 ' A' ' 12' ' ' LEU . 30.9 tt0 -127.87 22.46 6.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.218 0.533 . . . . 0.0 109.891 -176.769 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -58.84 -48.62 80.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.367 -175.605 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 t -113.76 42.23 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.337 0.589 . . . . 0.0 110.579 -174.401 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 9' ' ' GLN . 68.8 mt -125.41 25.69 7.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.589 -179.365 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.89 3.74 22.69 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -172.325 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.9 tp -139.94 106.97 5.43 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.048 179.029 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -112.64 151.69 29.84 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.139 -173.087 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.546 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 2.2 mmtp -118.38 122.69 43.43 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.765 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 64' ' ' ILE . 69.4 t -116.19 118.86 60.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.937 0.398 . . . . 0.0 110.861 179.718 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.58 126.65 75.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.322 179.16 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.805 ' HB2' ' HE3' ' A' ' 27' ' ' LYS . 62.6 mtt -96.57 154.13 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.915 0.388 . . . . 0.0 110.185 176.032 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 91' ' ' LEU . 33.6 m -110.98 177.14 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.211 175.3 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 155.81 160.36 9.94 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.118 -0.563 . . . . 0.0 111.981 178.815 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -83.54 45.26 1.04 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.452 0.644 . . . . 0.0 109.938 179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.91 -56.03 0.75 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -177.11 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.72 111.88 0.33 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 179.594 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.0 t -88.95 -68.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.937 0.399 . . . . 0.0 110.312 176.916 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.87 34.88 1.98 Allowed Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.208 -177.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.805 ' HE3' ' HB2' ' A' ' 19' ' ' MET . 26.2 mttp -58.71 -74.81 0.06 Allowed 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 111.102 -179.339 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 16.9 p -69.11 -11.92 61.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.184 -175.701 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.36 -52.95 13.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.061 0.458 . . . . 0.0 110.357 175.072 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.76 -38.98 67.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' HA ' ' A' ' 28' ' ' SER . 69.8 p -67.0 -40.35 87.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.505 -176.886 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.12 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.082 178.367 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -65.03 -40.95 95.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.215 0.531 . . . . 0.0 110.292 174.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 53' ' ' LYS . 64.6 t80 -72.72 -22.9 60.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.531 -177.836 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 67.5 mtm -104.93 -53.75 2.62 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -102.37 -11.72 18.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.486 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 67.01 32.09 6.53 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.787 0.803 . . . . 0.0 110.236 -178.098 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -135.0 142.24 46.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.101 -178.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -78.52 144.12 35.96 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.484 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 p -72.35 116.39 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.804 0.812 . . . . 0.0 112.569 -176.002 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -117.78 -44.12 2.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.675 171.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -127.1 107.62 10.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.749 177.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -169.71 91.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.739 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.543 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 31.7 mm-40 -74.57 -51.16 4.25 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.561 -177.776 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 9.3 Cg_endo -52.77 106.68 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 111.712 177.294 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -158.21 1.5 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.097 -176.187 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -86.52 -54.55 4.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 179.289 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' HB2' ' HE1' ' B' ' 413' ' ' HIS . . . -125.48 -40.85 2.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.125 176.91 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' OD2' ' HE3' ' B' ' 440' ' ' LYS . 16.1 t70 -59.07 122.11 12.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.909 -174.876 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 p -134.15 -175.47 3.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.101 -176.614 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 8.4 t80 -143.21 146.85 34.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -176.124 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -92.62 140.72 29.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.552 178.072 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HG2' ' CE2' ' A' ' 34' ' ' PHE . 48.9 tptt -116.69 136.78 52.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.246 -177.248 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 19.5 mttp -97.78 131.06 44.63 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.124 0.488 . . . . 0.0 110.554 170.864 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.23 145.47 30.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.88 176.676 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' HB ' ' HA ' ' A' ' 61' ' ' GLU . 2.1 p -138.62 108.64 4.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-O 121.321 0.582 . . . . 0.0 110.643 177.131 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.0 mt -93.28 96.94 10.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.912 179.193 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 39.69 67.75 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.368 1.043 . . . . 0.0 111.871 -178.637 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.22 -122.71 0.94 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.274 -0.965 . . . . 0.0 112.968 -179.859 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -113.25 162.93 15.43 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 117.162 0.481 . . . . 0.0 110.112 -177.603 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HB ' ' A' ' 56' ' ' VAL . 46.7 mt-10 -59.74 119.35 7.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.316 0.579 . . . . 0.0 111.955 -176.303 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.0 t -107.63 148.61 11.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.067 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -117.15 140.05 50.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.38 0.609 . . . . 0.0 112.057 -176.7 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 17' ' ' VAL . 4.8 tt -134.73 125.87 46.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.188 -179.41 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -94.02 128.43 40.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.473 179.372 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.4 mm -108.15 129.75 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.364 -177.727 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.65 124.68 51.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.029 0.443 . . . . 0.0 111.814 -177.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 19.3 t0 -94.71 158.54 15.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 171.815 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.0 p -142.67 141.86 31.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.771 0.32 . . . . 0.0 111.819 -171.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' A' ' 78' ' ' ILE . . . -78.58 96.47 5.48 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 165.741 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -75.21 71.07 1.79 Allowed Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.056 -175.422 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -149.94 173.39 13.86 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.54 -20.05 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.581 -173.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.2 m-20 -60.11 -67.24 0.41 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.204 0.526 . . . . 0.0 110.942 179.355 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -80.41 63.88 5.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.313 -178.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.58 -20.84 63.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 177.426 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.744 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . . . -58.1 -23.77 56.08 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.997 176.556 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.667 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 33.9 mt -93.24 -21.84 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.623 -179.053 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -83.51 -63.48 1.35 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.802 0.334 . . . . 0.0 110.725 179.049 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.52 ' HA ' HG11 ' A' ' 114' ' ' VAL . 20.9 m-20 -68.06 -57.96 5.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.201 0.524 . . . . 0.0 111.808 -172.434 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.744 ' ND2' ' HA ' ' A' ' 77' ' ' ALA . 13.2 m-80 -71.17 -40.08 71.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.243 -168.544 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.667 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 11.5 m-85 -72.25 -25.91 61.8 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -174.554 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.456 ' HB2' HG21 ' A' ' 114' ' ' VAL . 5.8 m-30 -75.15 -5.73 45.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 111.436 -177.665 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -70.06 -63.44 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 m -83.83 14.02 4.35 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -171.663 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.41 135.44 12.19 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.645 177.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 2.1 mt-10 -80.39 -69.42 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.853 0.327 . . . . 0.0 111.259 -177.803 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.62 152.22 19.42 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.116 -0.564 . . . . 0.0 113.064 -174.115 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' HB2' HD23 ' A' ' 123' ' ' LEU . 94.2 m-85 -128.2 135.96 50.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.124 -178.152 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.681 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 93.6 mt -106.69 115.42 30.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.018 177.219 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.703 ' HA ' HG22 ' A' ' 20' ' ' VAL . 40.5 mt -83.71 106.41 15.39 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.031 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.571 HG22 ' HB ' ' A' ' 126' ' ' VAL . 40.3 t -109.91 127.68 66.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.409 -173.162 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.439 ' HA ' HG21 ' A' ' 25' ' ' VAL . 43.9 p90 -138.96 175.37 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.026 176.159 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.88 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 43.3 t -122.84 151.33 41.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.301 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.703 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.83 1.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -177.573 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.594 ' CG2' HD13 ' A' ' 132' ' ' LEU . 31.8 p -108.98 -29.99 8.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.278 0.561 . . . . 0.0 109.907 169.84 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.88 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.0 mm-40 -82.35 77.07 9.18 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.801 179.78 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -65.91 -26.05 67.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.511 -177.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.51 -44.55 90.56 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.495 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.9 m -66.56 -32.41 73.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 176.966 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.9 -43.68 98.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 177.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.8 m -77.25 -30.2 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 110.921 179.038 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.05 -14.47 62.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.191 -178.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.583 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 27.4 p -53.95 -33.17 56.08 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.927 0.394 . . . . 0.0 111.263 178.45 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.34 88.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.778 177.799 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.18 -40.02 93.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 120.723 0.297 . . . . 0.0 110.296 178.448 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 22.7 m-85 -57.39 -45.03 84.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.66 -177.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.01 -54.04 51.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 0.0 110.257 179.092 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.27 -28.65 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.534 -177.267 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -70.14 -33.95 72.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.001 179.359 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 107' ' ' PHE . 82.2 mt -71.8 -40.99 70.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.139 177.15 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.622 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 9.2 mp -71.71 -11.13 60.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.145 0.498 . . . . 0.0 111.056 176.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -79.4 -26.26 41.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.273 177.152 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 80' ' ' ASP . 17.6 m -110.85 -23.23 4.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.375 -176.63 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 112' ' ' LEU . 43.4 mtmt -137.88 135.94 36.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.133 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.54 -76.18 0.48 Allowed 'General case' 0 C--N 1.312 -1.059 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.456 178.75 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -100.26 35.09 2.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.902 0.382 . . . . 0.0 111.165 -173.916 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.32 -58.39 5.43 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.572 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -171.5 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.377 176.214 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.581 ' HG3' ' HD2' ' A' ' 179' ' ' LYS . 35.7 mmtm -144.43 150.33 37.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 175.271 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.433 HD13 HG22 ' A' ' 111' ' ' ILE . 62.9 mt -120.61 92.29 47.71 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.043 178.339 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.68 125.1 10.26 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.079 2.519 . . . . 0.0 112.013 -178.462 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 89' ' ' PHE . 93.8 mt -119.21 122.44 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.15 0.5 . . . . 0.0 111.161 -179.304 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.864 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -121.29 122.82 40.74 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.013 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.419 ' N ' HD12 ' A' ' 124' ' ' LEU . 11.0 t -86.67 127.18 40.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.161 -177.465 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.571 ' HB ' HG22 ' A' ' 92' ' ' VAL . 58.8 t -117.65 116.14 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.73 -176.72 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.05 124.53 8.16 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 175.749 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -120.36 176.23 5.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 117.179 0.49 . . . . 0.0 110.016 -177.797 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.575 ' HG3' ' C5 ' ' A' ' 500' ' ' GNP . 2.0 mptm? 66.93 27.65 8.84 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 123.586 0.554 . . . . 0.0 110.837 -176.235 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.5 p -60.28 -10.01 4.14 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.723 178.468 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.513 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . 30.1 t70 -67.1 -20.43 65.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.909 176.023 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.594 HD13 ' CG2' ' A' ' 96' ' ' THR . 40.1 mt -78.52 49.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.568 174.103 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.36 -25.91 68.51 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.041 -176.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -103.37 -26.18 13.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 -177.003 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -91.73 11.37 24.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.17 179.222 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.2 ttp180 -61.9 112.15 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.0 0.428 . . . . 0.0 110.332 -177.593 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -94.75 -29.23 14.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.724 -178.15 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 7.2 p -111.41 121.4 40.36 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.328 175.734 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.91 121.3 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.662 2.241 . . . . 0.0 111.854 178.069 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.49 HG22 ' HE2' ' A' ' 154' ' ' TYR . 0.5 OUTLIER -71.16 -13.6 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.457 0.646 . . . . 0.0 109.702 -178.363 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.6 -49.88 75.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.869 176.556 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -77.97 -22.74 49.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.441 -179.832 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.72 94.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.928 174.052 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.46 -33.35 75.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.435 174.168 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.1 t -62.79 -42.31 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.29 179.441 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -54.47 -40.03 68.04 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 175.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.15 -47.72 80.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.048 0.451 . . . . 0.0 110.725 177.245 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.78 -33.78 74.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.338 179.23 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -63.5 -42.0 98.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.604 -179.684 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -87.44 -17.21 32.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.283 -176.85 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 85.67 32.45 18.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.887 -179.027 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.18 -168.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -179.711 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.864 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.7 pm0 -116.74 153.68 31.96 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.588 173.889 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 41.4 t80 -133.53 125.21 28.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.396 177.477 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.76 134.39 66.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.445 -178.303 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -84.87 121.79 28.24 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.312 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.4 p -109.97 129.05 55.72 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.127 0.489 . . . . 0.0 111.21 -177.147 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.4 m -112.17 99.21 7.87 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.892 178.558 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.63 -16.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -179.215 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.402 ' HB2' HN21 ' A' ' 500' ' ' GNP . 53.8 tptt -69.21 -42.51 75.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.585 -179.482 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 1.6 p -112.23 7.41 19.44 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.231 -178.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 54.7 73.29 0.41 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.121 -177.387 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -131.28 127.47 37.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.599 178.9 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 65.89 16.34 10.43 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.04 0.837 . . . . 0.0 111.768 178.334 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.93 -55.2 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 -177.168 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -74.68 -25.23 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.774 -179.184 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.91 -47.33 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.586 -176.842 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.52 -32.52 55.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -176.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -69.63 -45.48 68.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.938 0.399 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.629 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 34.4 m-85 -68.81 -37.14 79.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.299 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.57 -51.1 68.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -178.596 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.62 -39.48 88.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.433 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 56.1 mtm -62.09 -31.1 71.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.419 179.467 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 8.4 mmm180 -71.29 -43.05 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.604 178.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 179' ' ' LYS . 1.3 mt-10 -55.49 -43.53 75.69 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.57 176.402 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.415 ' O ' ' HG3' ' A' ' 180' ' ' LYS . 77.9 mt -56.3 -47.02 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 123.548 0.53 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 173' ' ' MET . 69.1 mtt180 -56.15 -51.31 68.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.695 177.499 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 6.8 m -57.83 -38.48 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.68 -178.134 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 175' ' ' GLU . 45.9 mmtm -64.64 -46.53 82.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 0.0 110.613 -179.461 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 43.4 mtpt -69.89 -31.62 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 -177.778 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.2 mtm -85.51 -1.75 57.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.292 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 12.2 t -65.91 -41.59 91.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.439 -178.174 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 185' ' ' LYS . 9.0 tp10 -146.62 -70.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.763 -178.505 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.54 25.45 13.12 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.861 -176.413 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 183' ' ' GLU . 32.4 mmmt . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.174 178.197 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.145 -0.382 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 43.4 m 63.93 175.03 0.18 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.093 0.557 . . . . 0.0 111.879 -179.096 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 65.54 118.09 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.286 0.635 . . . . 0.0 111.198 -178.756 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 29.6 m 72.82 -46.62 0.65 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.086 -176.088 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.507 ' O ' ' HB ' ' B' ' 398' ' ' ILE . 18.4 mt-30 -58.35 -32.03 68.16 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.122 179.692 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' B' ' 399' ' ' LYS . . . -65.27 -41.16 94.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.002 -176.531 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.0 -36.65 93.75 Favored Glycine 0 N--CA 1.452 -0.235 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 173.528 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.563 ' O ' HG13 ' B' ' 402' ' ' ILE . 31.6 mm -60.71 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.195 -0.502 . . . . 0.0 109.909 174.553 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' B' ' 396' ' ' ALA . 11.6 mmmm -57.82 -44.56 86.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.552 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -58.33 -49.32 77.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.37 -179.351 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -42.42 91.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.702 -178.481 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.587 HG12 ' HB3' ' B' ' 439' ' ' LEU . 83.7 mt -58.64 -52.88 54.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.622 0.249 . . . . 0.0 110.612 -178.641 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 403' ' ' ARG . 38.4 mtm-85 -62.9 -29.1 70.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -177.27 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.648 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 33.9 ttt180 -61.56 -51.01 70.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.931 0.395 . . . . 0.0 109.983 176.017 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.507 ' OE1' HG23 ' B' ' 432' ' ' VAL . 80.7 mm-40 -71.79 -29.58 64.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.518 -178.446 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 98.0 mt-10 -60.45 -41.82 94.88 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 174.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -71.95 -39.99 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.568 176.467 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 61.8 mt -62.22 -51.72 66.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.723 0.297 . . . . 0.0 110.951 -178.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.606 HD11 ' OH ' ' A' ' 82' ' ' TYR . 58.4 tp -62.03 -32.51 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.956 0.407 . . . . 0.0 110.186 176.801 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -66.51 -42.4 87.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.313 178.096 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 98.8 p -60.52 -48.72 80.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.602 -177.923 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.5 mm? -57.65 -45.86 84.95 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.785 173.746 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.481 ' HE1' ' HB2' ' A' ' 48' ' ' ALA . 1.9 m170 -57.99 -47.28 83.47 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.303 -175.847 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -77.53 -35.07 53.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.637 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.39 -53.78 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.943 0.401 . . . . 0.0 111.577 -175.018 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' B' ' 425' ' ' LYS . 68.2 mt -63.53 -34.09 77.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.174 -176.373 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.5 tt0 -61.92 -21.37 64.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.099 -177.572 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -77.66 -8.82 87.17 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.828 -178.826 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.82 12.35 5.0 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.789 178.615 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 64.6 mt -106.95 136.41 42.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.444 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -163.34 140.79 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.443 0.639 . . . . 0.0 111.42 175.909 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 14.5 t70 -149.45 161.45 42.08 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.803 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.57 -31.79 70.9 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.163 0.506 . . . . 0.0 110.879 -177.388 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 2.9 m -65.39 -31.98 73.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.228 178.591 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 57.4 mmtt -72.78 -42.5 63.89 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.279 -176.779 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.444 ' HG2' ' H ' ' B' ' 426' ' ' GLU . 0.1 OUTLIER -57.34 -47.07 82.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.497 -178.866 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -68.72 -37.42 79.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.874 -179.305 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.541 ' O ' HG12 ' B' ' 432' ' ' VAL . 18.0 mmt180 -64.43 -45.56 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.745 178.233 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' B' ' 429' ' ' LEU . 10.5 mt -55.96 -50.36 71.01 Favored 'General case' 0 CA--C 1.518 -0.269 0 O-C-N 123.299 0.374 . . . . 0.0 111.642 -178.389 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.454 ' HE3' ' HD2' ' B' ' 434' ' ' ARG . 7.4 m95 -66.39 -44.25 83.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.508 179.898 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.424 ' O ' HG13 ' B' ' 435' ' ' ILE . 18.1 tp10 -60.45 -55.72 30.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.829 -0.168 . . . . 0.0 111.185 -175.034 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.597 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.5 p -62.34 -34.61 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 121.16 0.505 . . . . 0.0 110.467 -178.709 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 23.2 tp60 -56.61 -50.3 72.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.738 176.513 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.519 ' HA ' HG22 ' B' ' 437' ' ' THR . 18.1 mtp180 -69.04 -33.25 73.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 -177.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.9 mt -67.24 -45.36 86.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.23 176.632 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 440' ' ' LYS . 2.8 tm? -57.29 -47.35 81.71 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 177.417 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.519 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.9 t -72.09 -34.27 68.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.76 0.314 . . . . 0.0 111.063 -176.388 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.89 -36.43 83.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.477 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.587 ' HB3' HG12 ' B' ' 402' ' ' ILE . 40.1 mt -69.78 -36.59 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.554 178.902 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.505 ' HE3' ' OD2' ' A' ' 49' ' ' ASP . 70.4 mmtt -59.35 -40.24 85.78 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.659 0.742 . . . . 0.0 109.037 173.57 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -66.37 -44.73 82.34 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.064 179.139 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -58.48 -33.07 69.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.344 177.811 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' B' ' 398' ' ' ILE . 46.7 tp -61.43 -55.07 35.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 178.586 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -82.05 -0.32 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.259 0.552 . . . . 0.0 111.107 -179.767 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -82.57 -28.94 30.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.707 178.605 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.161 -177.365 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.758 ' N3 ' " H2'" ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -164.72 150.97 10.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 111.275 -178.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' LEU . 40.2 m -92.01 12.86 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.998 175.672 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.6 t -78.43 20.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.74 0.781 . . . . 0.0 109.513 174.147 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD22 ' HG3' ' A' ' 180' ' ' LYS . 28.2 mt -116.6 3.95 13.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.742 179.561 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.81 10.91 12.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.547 -173.591 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.6 tp -110.98 125.55 53.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.852 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -135.1 144.45 47.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.351 -178.245 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.81 ' HG3' ' HB2' ' A' ' 65' ' ' ASP . 0.1 OUTLIER -125.25 118.74 26.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.836 0.35 . . . . 0.0 110.224 173.399 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.5 129.12 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.489 0.661 . . . . 0.0 110.671 -179.036 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.1 mt -107.94 120.96 60.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.838 178.178 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.419 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 87.1 mtp -96.63 114.84 26.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.261 0.553 . . . . 0.0 109.904 179.241 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.7 m -94.67 160.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.402 -171.869 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' O ' ' HA3' ' A' ' 71' ' ' GLY . . . 176.76 -167.03 38.22 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.051 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 t -142.46 -61.48 0.44 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.48 0.64 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.81 -111.55 1.59 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.11 178.661 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 -66.7 1.01 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.275 -178.919 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.523 HG11 HG23 ' A' ' 92' ' ' VAL . 98.0 t 71.36 -53.2 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 123.272 0.629 . . . . 0.0 111.779 178.924 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.585 ' HA2' " C3'" ' A' ' 500' ' ' GNP . . . 108.01 19.36 9.1 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.474 -177.117 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.643 ' HB3' HG21 ' A' ' 92' ' ' VAL . 14.8 pttp -78.92 -23.02 44.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.232 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.3 m -69.75 -32.48 71.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 110.884 178.329 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.72 68.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.557 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.69 -36.3 78.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.736 -175.602 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.9 p -70.29 -44.16 68.94 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -175.159 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 HD13 HG22 ' A' ' 40' ' ' VAL . 6.4 tt -67.88 -35.91 79.33 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' OE1' ' HG2' ' A' ' 162' ' ' ARG . 81.1 mt-30 -65.57 -37.7 87.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.521 176.194 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -71.98 -34.02 68.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.693 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.576 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 61.0 mtm -73.85 -49.22 26.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.367 -179.839 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.8 m-85 -111.8 -76.65 0.59 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.549 -0.461 . . . . 0.0 111.047 -175.707 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 24.2 t70 168.45 -30.34 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.681 0.613 . . . . 0.0 111.047 -174.687 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -95.62 160.03 14.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.395 0.616 . . . . 0.0 112.036 -168.007 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -76.09 149.62 37.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.708 176.743 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.671 HG22 HD13 ' A' ' 32' ' ' LEU . 48.8 t -72.38 100.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.206 0.527 . . . . 0.0 111.177 -179.123 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -79.86 -46.67 16.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.682 176.535 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -147.72 109.31 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.142 0.496 . . . . 0.0 110.809 -178.821 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -172.86 91.24 0.1 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.946 176.344 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 40.7 tt0 -72.18 -63.29 1.28 Allowed Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.288 -176.001 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 44' ' ' GLU . 26.6 Cg_exo -26.14 -103.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 125.001 3.8 . . . . 0.0 115.814 -167.755 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.54 ' HB ' ' OD2' ' A' ' 68' ' ' ASP . 24.2 p 45.23 40.07 4.74 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.016 0.526 . . . . 0.0 112.216 -178.478 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -87.04 -59.17 2.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.273 0.559 . . . . 0.0 109.761 179.17 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB2' HD13 ' A' ' 78' ' ' ILE . . . -127.16 7.94 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.17 171.669 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.74 125.13 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.415 -171.079 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB2' HD13 ' A' ' 67' ' ' LEU . 34.3 t -118.21 138.19 52.49 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.319 0.58 . . . . 0.0 110.006 179.802 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -142.44 145.18 33.51 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.465 178.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -105.87 154.25 20.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.253 0.549 . . . . 0.0 110.861 -176.34 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.604 ' HG3' HG13 ' A' ' 55' ' ' VAL . 51.6 tptt -127.23 131.17 50.66 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.624 176.901 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -95.08 117.16 29.71 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.003 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' HG3' ' A' ' 53' ' ' LYS . 15.9 m -127.2 144.14 38.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.134 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 60' ' ' GLU . 7.5 p -110.66 103.68 15.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-O 121.656 0.741 . . . . 0.0 109.246 175.206 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.45 102.81 14.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.818 -179.708 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t70 77.6 -34.6 0.2 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.786 174.502 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.57 -70.29 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 119.042 -1.551 . . . . 0.0 115.587 -170.548 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.3 pt-20 -109.12 152.59 24.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 117.579 0.689 . . . . 0.0 111.612 -168.395 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.28 111.01 6.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.71 178.354 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 60' ' ' GLU . 40.6 t -106.68 141.64 21.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.077 -174.151 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.07 121.06 43.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.072 0.463 . . . . 0.0 110.154 -176.249 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.2 tt -123.29 127.21 74.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.154 -178.21 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.81 ' HB2' ' HG3' ' A' ' 16' ' ' LYS . 60.6 m-20 -87.64 129.28 35.18 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.949 177.893 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -107.64 128.24 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.04 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD13 ' HB2' ' A' ' 50' ' ' SER . 45.0 tp -123.53 108.46 12.67 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.867 0.365 . . . . 0.0 110.369 176.968 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.54 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 28.4 t0 -94.7 103.86 15.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.111 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -93.81 147.58 22.93 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -171.132 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.09 124.68 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.636 169.957 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 21' ' ' GLY . . . -95.11 85.44 0.96 Allowed Glycine 0 C--O 1.235 0.201 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.772 -176.193 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 74' ' ' ASP . 2.5 pt? -152.64 167.31 29.32 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.158 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -73.62 -23.62 59.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.135 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' HB2' ' CD1' ' A' ' 72' ' ' LEU . 1.5 m-20 -58.66 -66.64 0.46 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.102 0.477 . . . . 0.0 112.141 -176.659 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.463 ' HA ' ' HG2' ' B' ' 417' ' ' GLN . 72.0 m-85 -81.49 78.69 8.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.633 0.73 . . . . 0.0 111.4 -174.057 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -28.56 67.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.776 -179.636 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.901 ' H ' ' HG3' ' B' ' 417' ' ' GLN . . . -73.74 -12.78 60.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.757 0.313 . . . . 0.0 110.867 -179.404 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.705 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 17.0 mt -96.82 -32.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 178.773 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -92.08 -64.2 1.14 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.093 0.473 . . . . 0.0 110.567 178.194 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.64 -55.1 9.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.967 -174.306 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.848 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 90.3 m-20 -78.0 -18.01 56.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -171.187 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.09 -30.98 13.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.861 -0.524 . . . . 0.0 112.224 -175.926 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.583 ' HB2' HG21 ' A' ' 114' ' ' VAL . 12.6 m-30 -66.72 -25.19 66.4 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -175.21 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 1.6 tmt_? -59.47 -41.15 89.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -172.158 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.562 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 14.8 m -92.38 24.8 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.756 0.312 . . . . 0.0 111.621 -178.35 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.93 151.93 17.68 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.672 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -96.54 -71.23 0.68 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.615 ' HA2' ' HD2' ' A' ' 122' ' ' PRO . . . -110.72 154.66 16.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.219 -176.691 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -131.36 135.99 47.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.998 0.428 . . . . 0.0 111.075 -176.653 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 62.9 mt -104.52 107.58 18.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.211 177.65 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 8.0 mp -80.68 106.48 12.71 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.06 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 1.083 HG12 ' HB ' ' A' ' 126' ' ' VAL . 18.0 m -117.1 135.87 56.07 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-O 121.033 0.445 . . . . 0.0 110.285 -177.918 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -142.21 171.88 13.45 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.478 179.912 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.716 ' HB3' ' HB2' ' A' ' 97' ' ' GLU . 12.2 t -112.52 138.94 48.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.872 177.723 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.513 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -74.96 5.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.892 0.377 . . . . 0.0 110.912 -179.454 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 15.4 p -126.87 -0.57 6.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.174 0.511 . . . . 0.0 110.844 176.356 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.716 ' HB2' ' HB3' ' A' ' 94' ' ' SER . 32.7 mt-10 -116.93 84.29 2.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 176.047 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.641 ' HB2' ' OE1' ' A' ' 137' ' ' GLN . 20.7 t-80 -59.02 -30.2 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.756 -170.637 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.26 -46.11 72.57 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.687 179.476 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 p -70.6 -27.97 64.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -177.358 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -71.64 -44.85 63.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.753 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 29.6 m -72.27 -32.98 67.12 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.027 0.441 . . . . 0.0 110.683 179.571 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.26 -13.94 62.06 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -177.212 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.8 p -51.1 -48.97 61.57 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.72 0.295 . . . . 0.0 111.628 179.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.53 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.991 0.424 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -63.61 -42.79 98.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.449 178.676 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.519 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.8 m-85 -60.64 -51.73 68.13 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 175.56 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -50.75 -55.92 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.998 -177.472 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.62 -37.43 78.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.927 -177.38 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -70.91 -34.8 71.91 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.756 0.312 . . . . 0.0 110.454 -178.793 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.572 HG22 HD13 ' A' ' 121' ' ' ILE . 96.9 mt -61.86 -45.28 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.629 177.573 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -40.77 92.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.794 177.392 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -57.13 -47.54 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.762 -177.88 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.583 HG21 ' HB2' ' A' ' 83' ' ' PHE . 33.1 m -81.09 -10.54 12.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -175.169 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.533 ' HB3' ' OE2' ' A' ' 118' ' ' GLU . 30.3 mtmt -126.9 -99.39 0.38 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.508 -178.625 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 68.62 -49.7 0.57 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 177.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.8 60.37 3.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.31 0.576 . . . . 0.0 110.886 -175.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.533 ' OE2' ' HB3' ' A' ' 115' ' ' LYS . 11.4 pt-20 -142.42 -157.93 0.82 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.15 179.668 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.46 -67.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.923 176.521 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.449 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 9.4 mmtp -160.68 138.24 9.41 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -176.634 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 111' ' ' ILE . 58.9 mt -98.65 109.38 52.95 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.559 177.345 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.615 ' HD2' ' HA2' ' A' ' 88' ' ' GLY . 1.2 Cg_endo -82.45 126.11 4.67 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 178.931 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.2 mp -118.95 132.99 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.436 0.636 . . . . 0.0 111.002 178.962 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.808 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.7 tp -129.75 118.04 21.22 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.785 172.867 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 91' ' ' LEU . 17.5 t -90.39 127.36 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.923 -177.289 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 1.083 ' HB ' HG12 ' A' ' 92' ' ' VAL . 49.6 t -120.48 131.34 72.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.95 -175.535 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.97 122.49 7.51 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.726 178.455 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -113.38 177.58 4.58 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 69.32 16.84 8.32 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 123.185 0.594 . . . . 0.0 110.689 -179.164 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.0 m -65.33 -5.66 7.92 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.925 -177.855 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.67 -22.78 62.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.267 0.556 . . . . 0.0 111.134 -179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 64.0 mt -68.22 -49.1 62.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.476 -179.103 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 62.04 -74.13 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 124.116 0.885 . . . . 0.0 112.494 178.191 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -75.98 -21.69 56.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.077 0.465 . . . . 0.0 110.952 -175.671 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 81.1 mtp180 -85.59 1.6 48.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.622 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -54.56 114.99 1.89 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.282 -176.824 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.641 ' OE1' ' HB2' ' A' ' 98' ' ' HIS . 35.9 tt0 -81.22 -39.35 25.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 -178.695 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 6.7 p -117.9 123.88 29.24 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.785 -179.338 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 138' ' ' VAL . 51.4 Cg_exo -56.7 126.08 21.09 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.053 2.502 . . . . 0.0 112.426 -179.553 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.4 OUTLIER -66.4 -22.22 29.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.056 178.926 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.7 -53.07 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.863 179.559 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -73.46 -29.5 62.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.045 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.806 178.595 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 43.1 mtp180 -60.25 -40.81 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.378 0.609 . . . . 0.0 110.93 177.532 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -75.32 -31.82 60.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.453 -172.932 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 150' ' ' TRP . 14.0 tppt? -63.38 -48.95 75.77 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.241 178.031 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.497 ' O ' HG22 ' A' ' 152' ' ' VAL . . . -65.18 -37.11 86.32 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.703 177.386 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.38 -37.97 85.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 -178.718 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.44 -25.62 66.82 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.43 178.166 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.429 ' CZ2' ' HD2' ' A' ' 146' ' ' LYS . 48.4 m0 -84.01 -4.36 58.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.93 0.395 . . . . 0.0 110.447 -179.915 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 76.96 20.02 76.63 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.851 -178.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 147' ' ' ALA . 15.6 m -110.76 -179.94 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -179.266 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.808 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.6 pm0 -110.63 149.68 30.08 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.458 177.088 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 125' ' ' VAL . 86.9 t80 -121.89 122.64 39.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.871 176.642 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 40.4 t -122.77 135.39 63.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.309 179.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -85.9 143.91 27.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 178.691 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.2 p -131.12 154.75 47.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 178.414 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.2 m -133.35 103.56 6.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.618 176.735 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.71 6.92 13.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -178.891 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -87.1 -50.1 6.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.95 179.831 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 15.0 p -97.06 -2.61 42.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.567 179.023 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.428 ' HG2' ' OE1' ' A' ' 33' ' ' GLN . 87.6 mtm180 62.36 61.98 1.21 Allowed 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.108 -175.243 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -121.71 134.71 54.95 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.843 -178.499 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 70.0 10.82 7.55 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.833 0.708 . . . . 0.0 111.667 176.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.76 -54.79 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.812 -176.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -74.16 -24.95 59.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.782 -178.514 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.7 -49.61 72.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.686 -176.897 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 35.7 m -68.34 -24.75 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.902 -177.151 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -74.36 -56.33 4.99 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.483 179.188 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -63.09 -32.89 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.307 -175.198 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.19 -51.06 65.6 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.357 -179.787 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.575 HD11 HD11 ' A' ' 176' ' ' ILE . 1.7 tm? -65.12 -39.17 92.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.896 177.352 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 63.8 mtp -60.59 -31.25 70.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.478 -179.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -67.85 -48.09 67.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.812 176.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.67 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 4.3 mm-40 -52.61 -44.93 66.33 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 177.359 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.575 HD11 HD11 ' A' ' 172' ' ' LEU . 60.8 mt -58.89 -29.38 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.511 -177.246 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -65.1 -49.61 69.31 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.368 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 5.3 m -57.55 -32.4 67.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -178.204 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 12.1 mptt -70.28 -48.55 56.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.113 179.897 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 12' ' ' LEU . 14.2 ptpt -75.83 -20.07 58.43 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.017 -0.673 . . . . 0.0 111.649 179.037 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 71.5 mtm -87.08 -1.58 57.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.563 0.221 . . . . 0.0 110.918 174.686 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 22.6 t -58.49 131.45 50.78 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.895 -177.639 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 185' ' ' LYS . 9.7 tp10 -152.25 -71.97 0.15 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.456 178.715 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 4.7 t30 59.49 21.8 10.29 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.424 0.63 . . . . 0.0 110.64 177.755 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 183' ' ' GLU . 13.8 mmmm . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.393 -0.813 . . . . 0.0 109.875 -179.357 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.7 ' HB3' ' HB2' ' B' ' 396' ' ' ALA . 38.5 m -113.98 -62.45 1.59 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 176.58 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 47.94 83.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.912 0.757 . . . . 0.0 112.711 179.174 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 63.8 m 76.93 -40.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.809 175.606 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.484 ' HG2' ' HB3' ' B' ' 446' ' ' ALA . 31.7 mt-30 -59.87 -28.89 67.91 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.62 0.247 . . . . 0.0 110.951 -178.189 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.7 ' HB2' ' HB3' ' B' ' 392' ' ' SER . . . -60.14 -51.89 67.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.002 0.43 . . . . 0.0 110.503 178.123 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.39 91.72 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.843 177.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.633 ' O ' HG13 ' B' ' 402' ' ' ILE . 32.9 mm -59.06 -48.69 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 175.906 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -58.59 -40.28 82.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.342 -178.954 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.06 -38.37 90.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 179.052 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.548 ' HB3' HD11 ' B' ' 439' ' ' LEU . 3.4 tp10 -73.94 -35.77 64.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.053 179.507 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.633 HG13 ' O ' ' B' ' 398' ' ' ILE . 74.0 mt -57.98 -54.28 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.748 175.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -63.32 -29.41 70.73 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 110.841 -177.158 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 77.4 ttt180 -59.2 -50.68 73.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.047 174.843 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -73.02 -29.77 63.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.496 -179.122 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 81.4 mt-10 -61.96 -40.33 95.19 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 174.899 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -71.66 -44.23 64.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.689 176.317 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 50.3 mt -62.38 -46.61 87.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.227 -178.519 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.553 HD13 HG13 ' B' ' 432' ' ' VAL . 40.9 tp -68.78 -32.46 72.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 178.229 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.73 -44.86 93.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 174.124 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 7.6 t -60.89 -54.49 44.41 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.839 177.662 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.402 HD23 ' O ' ' B' ' 408' ' ' LEU . 2.5 mm? -52.73 -32.94 45.73 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 177.469 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.509 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 14.2 m-70 -71.24 -50.69 30.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.008 177.878 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -77.07 -39.96 47.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -171.574 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -64.13 -39.41 93.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.916 0.388 . . . . 0.0 110.732 -178.653 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.578 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 11.1 mp -78.22 -33.53 49.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.901 ' HG3' ' H ' ' A' ' 77' ' ' ALA . 1.8 mt-30 -71.49 -12.29 61.31 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.078 174.055 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -83.85 -8.45 84.28 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.953 175.538 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 107.41 7.35 32.46 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.449 -0.881 . . . . 0.0 113.412 175.643 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 70.5 mt -102.6 117.26 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 117.006 0.403 . . . . 0.0 110.23 176.746 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.12 144.73 47.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.743 0.782 . . . . 0.0 111.503 179.42 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.665 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 16.1 t70 -148.67 161.73 41.14 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 174.28 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.512 ' HA ' ' OE1' ' B' ' 426' ' ' GLU . 7.1 mp -66.02 -26.33 67.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.11 0.481 . . . . 0.0 110.504 -177.791 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.4 m -66.98 -32.22 73.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.0 176.007 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.665 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 58.3 mmtt -73.41 -44.09 59.09 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.382 -175.665 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.512 ' OE1' ' HA ' ' B' ' 423' ' ' LEU . 24.8 mt-10 -60.53 -48.46 81.67 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.038 -178.379 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 6.4 mm-40 -64.26 -44.71 90.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.791 177.765 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.489 ' O ' HG12 ' B' ' 432' ' ' VAL . 24.2 tpt180 -68.61 -32.28 72.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.672 -177.1 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.461 HD22 ' CZ ' ' A' ' 82' ' ' TYR . 0.8 OUTLIER -56.18 -49.92 72.68 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 121.27 0.557 . . . . 0.0 109.568 176.727 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 50.2 m95 -65.26 -45.08 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.1 176.595 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.51 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 48.4 mt-10 -57.66 -55.85 29.47 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -176.073 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.569 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.0 p -61.35 -35.52 66.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.595 -176.783 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -62.28 -48.47 79.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.059 0.457 . . . . 0.0 110.762 174.519 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.51 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 31.5 mtp180 -59.99 -38.54 82.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.266 178.549 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' B' ' 432' ' ' VAL . 21.7 mt -70.53 -42.26 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.452 178.121 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' B' ' 406' ' ' GLU . 3.2 tm? -57.63 -50.93 71.54 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.212 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 4.5 t -69.43 -30.89 68.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.234 -177.013 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -70.05 -38.05 75.7 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.33 174.922 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.581 ' HB3' HG12 ' B' ' 402' ' ' ILE . 0.0 OUTLIER -59.85 -44.59 94.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.651 179.742 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.93 -29.61 67.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.656 179.546 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -68.07 -42.92 79.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 173.16 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 30.1 mmmt -61.54 -27.95 68.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.973 176.418 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.27 -41.08 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.982 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -77.36 -16.81 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.359 176.361 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -83.54 -9.22 59.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.989 -175.312 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.484 ' HB3' ' HG2' ' B' ' 395' ' ' GLN . . . . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.6 179.005 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.585 " C3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 71.65 -75.94 0.07 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.18 0.592 . . . . 0.0 110.443 179.656 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.9 m -155.58 17.67 0.39 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.918 175.731 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m 62.04 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.951 -175.59 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.82 -52.41 60.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.54 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 57.54 15.06 2.58 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.743 174.226 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.1 tp -149.25 112.4 4.92 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.119 0.485 . . . . 0.0 110.52 -178.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 10.3 m170 -126.81 136.2 52.06 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.424 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -111.54 123.58 50.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 110.817 -179.308 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -126.7 120.01 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.593 179.705 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.516 HD12 ' CE2' ' A' ' 89' ' ' PHE . 58.7 mt -106.15 131.34 56.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 0.0 111.588 -174.682 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.772 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 9.1 mmt -88.59 111.93 22.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.799 175.015 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 90' ' ' LEU . 19.8 m -94.76 175.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 -178.587 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.88 175.29 39.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.861 -1.162 . . . . 0.0 113.021 179.467 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.773 ' HB2' ' HE1' ' A' ' 107' ' ' PHE . 5.1 t -153.64 25.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.48 -139.25 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.277 -176.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -102.16 -73.74 1.01 Allowed Glycine 0 N--CA 1.442 -0.915 0 C-N-CA 119.865 -1.16 . . . . 0.0 112.185 178.097 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.6 t 69.55 -46.56 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.173 0.589 . . . . 0.0 112.158 -179.654 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.556 ' HA2' " H3'" ' A' ' 500' ' ' GNP . . . 105.51 31.59 4.23 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.295 -0.479 . . . . 0.0 112.158 -178.691 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.909 ' HB3' HG21 ' A' ' 92' ' ' VAL . 58.5 pttt -66.75 -40.64 88.37 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -174.45 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 68' ' ' ASP . 17.0 p -78.08 1.72 20.17 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.83 -174.462 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' HB2' " O3'" ' A' ' 500' ' ' GNP . . . -71.96 -48.62 43.84 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 170.564 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.72 -40.93 96.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.292 -176.411 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.5 p -65.4 -43.21 91.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.241 -176.771 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.93 -41.99 81.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.598 179.939 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.24 -35.23 79.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 110.619 178.505 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -69.13 -46.13 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 178.756 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' HB2' ' A' ' 53' ' ' LYS . 71.8 mtm -74.91 -41.43 59.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.649 -175.253 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -93.57 5.14 52.6 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.335 -176.037 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 73.36 -38.46 0.41 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.686 0.794 . . . . 0.0 112.664 172.351 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -106.29 -177.87 3.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.473 . . . . 0.0 111.407 -176.169 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -74.68 142.47 44.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.164 178.222 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG11 ' HD1' ' A' ' 43' ' ' TYR . 9.6 t -72.34 104.39 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.611 -173.702 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -100.09 -21.69 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 173.556 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.38 85.32 2.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.447 172.6 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.438 ' HD1' HG11 ' A' ' 40' ' ' VAL . 48.9 t80 -105.17 116.93 32.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.95 -177.119 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -120.88 146.01 42.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 178.152 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.95 107.03 0.22 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.276 2.651 . . . . 0.0 113.407 -178.192 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.9 p -87.7 93.03 9.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -87.75 -56.84 3.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.156 0.503 . . . . 0.0 110.524 175.61 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.62 14.13 8.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.7 0.762 . . . . 0.0 109.537 175.054 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -86.83 103.94 15.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.077 -173.333 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -109.51 171.74 7.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.734 178.167 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 6.8 t80 -161.47 168.79 23.07 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.11 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.4 HH11 ' CB ' ' A' ' 52' ' ' ARG . 1.3 ptp180 -136.51 161.23 36.44 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.053 -0.659 . . . . 0.0 111.527 179.199 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 64' ' ' ILE . 49.1 tptt -127.64 143.01 51.2 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.617 -178.474 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -94.96 120.46 35.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.976 0.417 . . . . 0.0 109.983 172.08 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.31 143.5 36.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 171.602 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 60' ' ' GLU . 6.7 p -94.28 102.37 13.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.823 0.82 . . . . 0.0 109.308 178.279 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.72 102.07 14.68 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.944 -174.533 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.8 t70 67.25 5.78 4.42 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.222 -0.899 . . . . 0.0 112.334 170.186 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.84 -30.23 1.81 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.022 -1.085 . . . . 0.0 113.257 176.679 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 62' ' ' VAL . 11.4 pt-20 -95.74 130.18 42.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.192 0.496 . . . . 0.0 109.861 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -71.76 111.73 7.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 169.566 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 60' ' ' GLU . 13.1 t -106.08 153.52 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.259 -166.816 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -110.29 119.25 38.63 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 167.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 53' ' ' LYS . 12.1 tt -101.03 111.16 29.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 121.872 0.844 . . . . 0.0 109.273 -178.42 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.662 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 21.2 t70 -87.95 109.52 19.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.959 -173.596 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mm -108.65 120.73 60.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.131 -173.059 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 82' ' ' TYR . 57.6 tp -111.49 118.51 35.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.262 176.946 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.567 ' OD1' ' HE3' ' A' ' 27' ' ' LYS . 24.0 t0 -98.77 94.98 6.91 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 177.34 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -78.17 149.59 33.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.088 -172.53 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.62 106.92 13.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.78 172.491 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' ' 79' ' ' ARG . . . -81.49 72.65 2.73 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.476 -178.048 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -150.6 170.99 17.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.818 0.342 . . . . 0.0 110.656 178.778 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 -24.69 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.874 -175.175 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.455 ' HB2' HD13 ' A' ' 72' ' ' LEU . 7.4 m-20 -61.94 -73.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.353 0.596 . . . . 0.0 111.294 -177.471 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' CB ' HD12 ' A' ' 78' ' ' ILE . 65.5 m-85 -78.12 68.09 4.09 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.195 -176.507 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.14 68.15 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.216 177.258 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.778 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -72.19 -15.71 61.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.271 -179.698 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.551 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 64.9 mt -96.57 -32.05 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.722 -178.539 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 27.5 ttp180 -92.35 -61.07 1.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.042 177.855 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -72.6 -53.96 10.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.591 -173.633 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.778 HD22 ' HA ' ' A' ' 77' ' ' ALA . 59.0 m-80 -76.0 -17.65 59.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -171.668 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -79.64 -23.78 42.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.33 -179.382 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB2' HG21 ' A' ' 114' ' ' VAL . 22.1 m-30 -73.67 81.3 1.54 Allowed 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.141 179.731 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.694 ' HG3' ' HB2' ' B' ' 426' ' ' GLU . 86.5 mmt-85 -133.88 -84.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.125 177.671 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.25 40.22 0.48 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.11 0.481 . . . . 0.0 111.733 -174.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.65 134.65 9.43 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.714 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 15.9 mp0 -87.6 -65.31 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.788 0.327 . . . . 0.0 110.81 -178.531 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.65 139.8 14.81 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.147 -171.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.516 ' CE2' HD12 ' A' ' 18' ' ' ILE . 94.7 m-85 -125.33 126.68 45.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 178.578 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 97.3 mt -96.66 116.61 29.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.428 179.493 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD11 HD23 ' A' ' 123' ' ' LEU . 57.3 mt -90.47 107.18 19.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 179.128 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.909 HG21 ' HB3' ' A' ' 27' ' ' LYS . 18.8 m -108.87 139.59 30.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-O 121.04 0.448 . . . . 0.0 111.402 -175.415 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -153.42 164.94 37.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.645 175.936 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.9 t -112.32 138.12 49.5 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.176 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.623 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -77.45 5.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -174.494 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.58 ' CG2' HD22 ' A' ' 132' ' ' LEU . 2.5 p -92.56 -27.16 17.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.213 0.53 . . . . 0.0 110.403 174.766 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -109.15 110.85 22.18 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.329 -178.489 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -70.88 -19.51 62.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.815 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.37 -55.01 24.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.407 179.118 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.3 m -59.0 -33.14 70.36 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.531 177.739 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -63.92 -36.08 82.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.012 0.434 . . . . 0.0 110.41 177.57 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.0 m -79.87 -29.42 39.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.413 0.625 . . . . 0.0 110.096 178.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.78 -13.91 62.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.933 -178.823 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 35.8 p -54.22 -39.63 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 178.112 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.97 -36.08 82.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.759 177.469 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.49 87.85 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.34 179.197 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.773 ' HE1' ' HB2' ' A' ' 22' ' ' SER . 5.3 m-85 -57.76 -49.17 77.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.415 0.626 . . . . 0.0 109.721 178.064 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -59.23 -50.76 72.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.832 -1.076 . . . . 0.0 110.808 -176.922 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.65 -32.64 74.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.953 -176.814 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.499 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.1 OUTLIER -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.911 0.386 . . . . 0.0 109.976 177.676 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 107' ' ' PHE . 61.7 mt -62.72 -50.19 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.093 179.084 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.88 -24.19 64.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.262 -178.135 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -75.06 -36.29 61.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.827 0.346 . . . . 0.0 111.128 -178.799 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB2' ' A' ' 83' ' ' PHE . 22.6 m -95.35 -21.2 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -176.054 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HG2' HG23 ' A' ' 114' ' ' VAL . 6.7 mmmt -109.61 -84.09 0.55 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.736 -177.876 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.6 -64.0 0.24 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.622 0.769 . . . . 0.0 112.915 179.231 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -80.11 54.41 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.147 0.499 . . . . 0.0 111.375 -175.392 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -103.92 178.31 4.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.801 -178.535 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.98 -69.94 0.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 170.62 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 35.0 mmtm -157.48 134.73 10.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.742 172.599 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 53.5 mt -101.52 104.36 33.68 Favored Pre-proline 0 C--N 1.319 -0.744 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -177.501 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 7.9 Cg_endo -88.61 120.92 1.25 Allowed 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.395 2.73 . . . . 0.0 112.665 179.794 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.602 HD23 HD11 ' A' ' 91' ' ' LEU . 7.3 mp -109.89 153.89 23.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.29 177.799 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.827 HD13 ' HG2' ' A' ' 153' ' ' GLN . 5.9 tp -136.67 121.5 18.68 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.472 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.494 ' N ' HD12 ' A' ' 124' ' ' LEU . 23.1 t -86.06 116.27 28.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.094 -178.923 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 92' ' ' VAL . 42.5 t -110.26 119.08 58.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.381 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.66 113.22 4.38 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.234 177.756 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -104.34 169.53 8.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 -177.404 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 69.14 33.01 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.697 0.623 . . . . 0.0 111.17 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.5 t -75.27 54.33 0.7 Allowed 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.6 0.714 . . . . 0.0 109.692 174.682 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -135.01 0.9 2.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.032 -175.798 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD22 ' CG2' ' A' ' 96' ' ' THR . 0.4 OUTLIER -99.78 -51.04 3.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 -179.467 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 64.59 -71.33 0.07 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.771 0.828 . . . . 0.0 112.371 179.361 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 10.5 pt-20 -66.43 -21.47 66.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.995 0.426 . . . . 0.0 111.652 -175.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 54.0 mtt-85 -93.0 21.39 5.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.715 -175.285 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.578 ' HD2' ' HA ' ' A' ' 139' ' ' PRO . 48.1 ttp180 -63.36 113.71 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.335 -178.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -92.52 -27.68 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.156 0.503 . . . . 0.0 110.039 175.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 139' ' ' PRO . 4.2 p -130.97 122.98 19.64 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' A' ' 136' ' ' ARG . 36.3 Cg_exo -62.27 133.48 43.75 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.916 2.411 . . . . 0.0 112.645 178.594 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.2 t -54.16 -28.89 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.021 174.625 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -56.44 -42.49 78.2 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.778 178.004 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -75.12 -39.0 60.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.281 0.562 . . . . 0.0 110.277 179.515 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.02 88.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 178.879 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.6 mtp180 -70.29 -32.88 70.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.5 179.223 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.8 t -58.22 -45.01 88.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.813 178.311 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 35.3 mmtm -62.74 -42.83 99.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.246 176.615 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.98 88.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.996 0.426 . . . . 0.0 110.528 177.339 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.76 -42.08 98.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.479 178.882 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.27 -36.45 81.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.265 -178.423 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 48.7 m0 -83.77 -9.82 58.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 -178.016 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 78.28 25.3 61.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.322 178.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.41 176.83 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.51 -0.563 0 CA-C-O 120.577 0.227 . . . . 0.0 110.696 -177.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.827 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.3 pm0 -102.2 157.79 16.64 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.087 175.519 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -120.7 121.2 37.74 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.156 175.749 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.6 t -116.43 127.44 74.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.968 0.413 . . . . 0.0 110.531 -177.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -85.56 122.88 30.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.496 178.709 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 61.6 p -129.87 150.83 50.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.372 0.606 . . . . 0.0 111.706 -177.02 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.8 p -136.68 102.31 4.87 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.199 173.721 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.73 -12.25 33.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.172 178.949 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -61.91 -36.31 80.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.423 179.762 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 9.7 t -130.93 12.68 5.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 -178.767 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 66.59 22.75 10.47 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 177.598 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.17 119.44 20.85 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.289 -177.215 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 69.59 7.74 6.39 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.765 175.628 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.88 -42.19 94.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -175.796 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -76.86 -25.33 53.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.358 -176.901 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -59.89 -48.73 80.51 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -175.545 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 35.7 m -56.38 -28.65 26.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.433 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -74.76 -51.3 14.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.693 0.283 . . . . 0.0 110.555 179.649 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -67.29 -39.69 86.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.063 -179.52 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.05 -51.73 68.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.768 -178.24 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 45.1 tp -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.166 -178.36 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.488 ' HA ' HD12 ' A' ' 176' ' ' ILE . 46.9 mtm -63.82 -29.94 71.08 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.728 -179.409 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -59.12 -43.85 91.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.032 178.518 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.82 -32.79 74.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.584 178.278 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 173' ' ' MET . 73.3 mt -59.23 -31.89 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.181 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 50.3 mtm180 -66.81 -51.62 53.55 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 178.526 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 23.0 m -60.65 -39.56 88.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.146 -179.5 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.1 mptt -67.41 -45.05 77.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -178.924 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -73.89 -31.03 62.93 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.724 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 64.8 mtt -76.08 -25.52 55.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 177.21 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 22.7 t 65.51 -169.73 0.2 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.802 176.391 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.409 ' HG2' ' H ' ' A' ' 185' ' ' LYS . 34.3 tt0 -105.36 -81.5 0.54 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.782 178.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.9 m120 52.42 36.44 20.06 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 122.902 0.481 . . . . 0.0 111.4 178.109 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 183' ' ' GLU . 65.9 mttm . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.417 -178.849 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 112.33 -0.308 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' B' ' 396' ' ' ALA . 31.2 p -76.72 49.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.264 0.554 . . . . 0.0 111.253 -179.583 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -91.97 -77.09 0.44 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 8.5 m -68.16 -34.95 77.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.205 0.526 . . . . 0.0 110.322 176.835 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 81.2 mt-30 -62.6 -27.75 69.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.673 -179.877 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -59.95 -55.71 30.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 179.588 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.48 -38.79 91.87 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.07 178.106 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.526 HG21 ' HA ' ' B' ' 443' ' ' LEU . 45.7 mm -61.87 -53.21 51.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.651 0.262 . . . . 0.0 110.85 177.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.2 mttt -63.84 -36.47 84.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.728 -175.814 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 70.6 mm-40 -58.93 -47.61 84.42 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.162 0.506 . . . . 0.0 109.963 176.371 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.73 -37.88 82.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.335 -178.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.507 ' O ' ' HG3' ' B' ' 406' ' ' GLU . 97.3 mt -55.92 -53.29 39.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.518 178.28 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.461 HH11 ' HD2' ' B' ' 403' ' ' ARG . 56.4 mtt85 -58.38 -35.37 71.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.287 -177.7 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -69.0 -44.82 72.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.864 179.129 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.442 ' HB2' HD13 ' B' ' 436' ' ' LEU . 12.5 mm100 -72.55 -29.89 63.96 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.763 -178.538 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 51.5 mt-10 -60.01 -46.47 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 173.7 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -61.2 -43.11 99.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.032 178.176 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.608 ' O ' HD23 ' B' ' 412' ' ' LEU . 38.0 mt -60.99 -52.46 64.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.786 179.593 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . . . . . . . . . 14.5 tp -59.42 -44.39 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.141 0.496 . . . . 0.0 110.027 178.579 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.46 -47.11 79.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.072 177.762 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 14.0 t -60.0 -55.45 33.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.714 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.9 mm? -56.17 -35.75 67.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.983 0.421 . . . . 0.0 111.5 179.459 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.571 ' HD2' HD21 ' B' ' 429' ' ' LEU . 21.4 m170 -70.39 -34.15 72.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.857 179.827 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -78.92 -50.71 10.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.639 0.257 . . . . 0.0 111.349 177.069 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -57.55 -53.35 59.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.82 -174.375 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 425' ' ' LYS . 9.9 mp -69.13 -26.74 65.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.702 -178.527 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.502 ' HB2' ' O ' ' B' ' 413' ' ' HIS . 6.7 tt0 -69.43 -35.82 76.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.183 0.516 . . . . 0.0 109.857 177.282 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -72.41 -25.47 74.24 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.377 178.057 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 122.14 18.24 3.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.211 176.482 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.24 116.66 50.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 175.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -139.03 144.97 39.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.949 0.881 . . . . 0.0 111.95 179.469 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.747 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 18.9 t70 -149.49 162.54 39.94 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.204 -1.362 . . . . 0.0 107.459 179.068 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 8.1 mp -65.69 -30.65 71.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.014 0.435 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 3.1 m -66.31 -32.22 73.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.209 177.969 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.747 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 64.6 mmtt -69.65 -52.45 25.73 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.734 -175.007 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.694 ' HB2' ' HG3' ' A' ' 84' ' ' ARG . 6.2 pt-20 -66.44 -37.12 84.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.646 -175.124 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -69.35 -41.6 76.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.669 0.271 . . . . 0.0 111.131 175.276 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.537 ' O ' HG12 ' B' ' 432' ' ' VAL . 13.8 mmt180 -61.65 -41.24 97.24 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.704 0.288 . . . . 0.0 110.564 174.489 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 0.6 OUTLIER -55.4 -53.42 56.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.014 -176.143 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.503 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 48.0 m95 -62.54 -47.96 81.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.489 -179.316 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -62.28 -49.91 73.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.057 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.668 ' HA ' HD12 ' B' ' 435' ' ' ILE . 11.7 p -62.48 -35.24 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.945 0.402 . . . . 0.0 110.505 179.833 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.479 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 19.5 tp60 -56.86 -49.06 76.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 173.906 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' B' ' 430' ' ' TRP . 33.9 mtt180 -68.2 -37.75 81.25 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.445 179.655 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.668 HD12 ' HA ' ' B' ' 432' ' ' VAL . 52.4 mt -61.15 -46.29 96.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.31 176.885 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 405' ' ' GLN . 30.0 tp -64.2 -37.51 87.74 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.155 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.563 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.12 -39.89 68.53 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.326 -0.549 . . . . 0.0 110.643 -178.708 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.559 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -66.81 -35.82 80.94 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.495 0.664 . . . . 0.0 109.613 174.665 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.486 ' HG ' HG12 ' B' ' 402' ' ' ILE . 30.9 tp -66.74 -35.78 80.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.183 178.662 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.58 -43.3 93.67 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.269 0.557 . . . . 0.0 109.759 173.461 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -59.55 -44.46 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.459 177.781 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.0 mmmt -58.98 -34.12 71.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.441 178.537 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' B' ' 398' ' ' ILE . 60.1 tp -66.02 -44.54 84.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.441 178.249 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -82.53 -2.1 52.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.454 179.589 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.51 -25.75 22.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.089 179.387 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.699 179.96 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.556 " H3'" ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' HD11 ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 112.342 -0.303 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 12' ' ' LEU . 92.5 mt-30 -142.01 -175.33 4.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.708 0.254 . . . . 0.0 110.963 -178.56 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.3 t 75.17 -49.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.92 0.763 . . . . 0.0 111.171 179.519 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 m -81.86 17.38 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.303 0.573 . . . . 0.0 110.594 177.33 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 9' ' ' GLN . 76.1 mt -95.93 13.24 27.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.874 -176.902 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 2.23 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.549 0.69 . . . . 0.0 110.681 178.819 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -123.48 123.33 40.41 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.654 178.745 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.417 ' HE1' ' HB3' ' A' ' 177' ' ' ARG . 15.0 m-70 -133.27 135.41 44.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.017 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.46 125.95 50.14 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.259 0.552 . . . . 0.0 110.727 176.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -123.8 129.17 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.78 -174.243 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.6 mt -108.79 122.24 63.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 90' ' ' LEU . 29.5 mtt -90.63 127.95 36.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.205 175.431 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 28.6 m -111.99 173.24 2.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.529 179.376 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.16 -173.0 27.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.875 -179.387 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 p -87.22 -10.08 53.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.325 0.583 . . . . 0.0 110.556 179.71 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.96 -45.66 1.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.085 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.11 -1.55 49.6 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 115.431 -0.384 . . . . 0.0 113.033 -178.316 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 93' ' ' PHE . 29.7 m -78.18 -0.34 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.775 -177.524 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.461 ' HA2' H5'1 ' A' ' 500' ' ' GNP . . . 76.84 26.17 63.15 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.602 178.186 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HG3' ' OD1' ' A' ' 68' ' ' ASP . 9.8 ptmm? -62.48 -31.0 71.67 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.764 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 m -75.33 -24.03 57.34 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.021 178.06 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.5 68.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.457 -177.175 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 128' ' ' ASN . 80.6 mt -68.99 -39.27 79.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.899 -176.635 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.3 p -67.41 -46.68 72.5 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.81 -178.208 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 tp -55.77 -40.02 72.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.684 177.057 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -60.81 -52.17 66.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.417 177.18 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -67.68 -27.69 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.585 -176.514 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -91.47 -52.58 4.71 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -174.04 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -109.89 -5.35 15.53 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.9 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.45 22.5 7.81 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.448 0.468 . . . . 0.0 111.522 179.88 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -125.32 159.12 32.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.953 0.406 . . . . 0.0 110.63 179.609 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -96.32 146.83 24.4 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.649 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.66 110.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 122.01 0.909 . . . . 0.0 111.53 -176.174 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -101.59 -43.75 5.79 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.84 -1.073 . . . . 0.0 108.802 175.7 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -158.8 94.65 1.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.528 177.504 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -170.57 90.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 176.564 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.653 ' HA ' ' O ' ' A' ' 503' ' ' HOH . 62.0 mm-40 -104.26 -42.64 0.18 Allowed Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -173.722 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 30.8 Cg_exo -26.59 -81.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 123.907 3.071 . . . . 0.0 114.98 -175.67 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 11.8 p 44.49 45.4 7.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.323 0.582 . . . . 0.0 111.649 -177.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.64 -55.91 3.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 109.353 178.303 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB2' HD11 ' B' ' 409' ' ' LEU . . . -126.53 26.81 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.991 172.868 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.815 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 6.7 m-20 -84.04 65.59 8.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.766 -171.777 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m -91.68 150.94 20.89 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 169.929 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' HA ' ' OG1' ' B' ' 437' ' ' THR . 75.8 m-85 -142.43 160.19 40.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.958 0.409 . . . . 0.0 111.345 -176.542 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.53 ' HD2' ' OE1' ' A' ' 63' ' ' GLN . 4.0 tpp180 -94.42 108.15 20.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.344 -176.59 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -110.78 119.67 39.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.921 0.391 . . . . 0.0 110.152 177.678 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.49 126.39 41.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.541 177.914 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.53 147.98 33.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.52 175.806 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.05 115.03 44.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.13 178.552 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 170' ' ' PHE . 86.4 mt -93.95 96.04 9.45 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.505 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 20.79 85.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 125.272 1.607 . . . . 0.0 113.699 -174.273 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 115.01 -57.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.388 -0.91 . . . . 0.0 113.811 175.372 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.39 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.192 0.496 . . . . 0.0 111.875 -172.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.1 109.68 7.79 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 168.673 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.7 t -106.68 139.77 27.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -175.152 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.53 ' OE1' ' HD2' ' A' ' 52' ' ' ARG . 72.8 mt-30 -113.45 127.43 56.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.909 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -113.68 125.66 71.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.533 0.682 . . . . 0.0 110.337 177.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.36 117.77 35.62 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.444 -178.967 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.6 mm -108.88 128.6 64.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.744 -174.101 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 430' ' ' TRP . 57.1 tp -116.77 114.31 23.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.468 172.472 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.483 ' OD1' ' HG3' ' A' ' 27' ' ' LYS . 24.7 t70 -94.03 94.53 8.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 175.688 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -72.59 148.53 44.81 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.086 -175.317 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 72' ' ' LEU . . . -75.97 142.94 41.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.968 174.388 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.61 22.44 39.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.993 -179.598 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.8 OUTLIER -103.72 163.46 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.849 0.357 . . . . 0.0 111.33 -177.525 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -93.57 -3.68 52.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.265 -178.734 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB2' HD13 ' A' ' 72' ' ' LEU . 4.1 m-20 -59.16 -72.96 0.09 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.672 -178.518 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -72.57 -54.3 9.54 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.406 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 67.98 -45.55 0.5 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.096 -173.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -51.21 -38.18 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.432 0.693 . . . . 0.0 112.483 179.557 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.9 mt -60.59 -36.78 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.22 0.325 . . . . 0.0 110.996 -177.204 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 79' ' ' ARG . 20.0 ttm180 -93.52 -64.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.398 0.618 . . . . 0.0 111.262 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' HA ' ' CD2' ' A' ' 83' ' ' PHE . 3.4 m-20 -74.68 -41.78 59.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.34 -168.217 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 94.7 m-20 -76.21 -15.79 59.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -176.584 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 77' ' ' ALA . 12.7 m-85 -89.01 1.42 55.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.477 176.51 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.506 ' CD2' ' HA ' ' A' ' 80' ' ' ASP . 8.0 m-30 -72.66 -169.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.767 -178.746 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.724 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 89.4 mtt180 70.22 -68.04 0.22 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.713 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.0 m -63.02 -24.22 67.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.904 0.383 . . . . 0.0 110.426 179.713 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.18 136.24 23.58 Favored Glycine 0 C--N 1.331 0.288 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 173.587 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -97.41 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 -175.327 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.48 145.32 17.7 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.499 -0.858 . . . . 0.0 111.95 -176.913 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -128.57 135.42 49.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.146 0.498 . . . . 0.0 110.95 -179.159 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 19' ' ' MET . 95.2 mt -111.44 114.61 27.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.169 177.901 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.744 HD12 HG22 ' A' ' 125' ' ' VAL . 45.7 mt -85.49 106.52 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.1 t -109.8 132.75 57.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.423 -175.891 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 26.2 p90 -147.98 160.88 42.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.073 178.04 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . 39.9 t -95.18 146.28 24.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.145 176.767 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.49 6.36 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.161 0.505 . . . . 0.0 111.348 -178.305 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.911 HG21 HD22 ' A' ' 132' ' ' LEU . 42.4 p -123.92 5.9 8.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.88 0.371 . . . . 0.0 111.33 176.507 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 61.1 mt-10 -109.74 96.79 6.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.012 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -66.21 -30.05 70.43 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.338 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.24 -53.14 59.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.562 177.331 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -64.66 -32.39 74.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 110.576 179.015 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.58 -49.38 73.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.234 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.3 m -67.29 -29.19 68.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.194 0.521 . . . . 0.0 110.769 178.272 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.61 -21.96 64.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.207 -177.164 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.601 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 69.5 p -58.99 -35.88 73.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.995 0.426 . . . . 0.0 110.837 -179.456 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.19 92.11 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.637 177.226 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.45 -42.16 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.436 179.38 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 20.5 m-85 -58.31 -51.48 69.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -178.464 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 108' ' ' ARG . 2.2 ptm180 -62.36 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.276 -175.8 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.7 -33.43 73.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.99 -179.084 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -66.82 -33.74 76.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 178.58 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.7 mt -65.49 -47.18 87.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.05 178.376 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.81 -27.3 65.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 110.749 178.377 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -63.81 -30.41 71.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.165 -179.329 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.7 m -108.76 -21.54 5.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -176.293 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.724 ' HG2' ' HA ' ' A' ' 84' ' ' ARG . 29.8 mtpp -106.64 -91.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 -177.24 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 64.29 -68.1 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.601 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -80.41 38.76 0.44 Allowed 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 122.819 0.448 . . . . 0.0 112.179 -172.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.687 ' HG3' ' HB3' ' A' ' 115' ' ' LYS . 3.6 mm-40 -100.34 -162.25 0.93 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.075 -176.183 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 120' ' ' LYS . 62.7 m-20 -63.55 -79.35 0.04 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.703 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.913 ' HB2' ' HB3' ' A' ' 179' ' ' LYS . 36.4 mmtm -157.18 141.72 16.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 172.514 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.403 HD13 HG22 ' A' ' 111' ' ' ILE . 44.8 mt -98.65 107.73 44.39 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 120.65 0.262 . . . . 0.0 110.612 -179.377 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 120' ' ' LYS . 37.5 Cg_endo -93.39 122.14 0.44 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 123.328 2.686 . . . . 0.0 111.851 176.699 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 152' ' ' VAL . 5.4 mp -117.54 124.89 49.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.933 0.397 . . . . 0.0 110.351 -179.338 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.747 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.3 tp -115.49 117.43 30.36 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 174.82 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.744 HG22 HD12 ' A' ' 91' ' ' LEU . 13.1 t -84.25 116.14 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.574 179.559 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 44.0 t -105.03 109.24 27.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.438 -176.371 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.62 115.07 3.98 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 174.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.611 HD21 HD21 ' A' ' 30' ' ' LEU . 6.2 t-20 -124.85 -169.97 2.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.986 0.393 . . . . 0.0 109.987 -176.37 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' ' 131' ' ' ASP . 29.3 mmmt 60.85 24.9 14.84 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.464 0.477 . . . . 0.0 110.278 -176.311 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.41 ' HB2' ' HB3' ' A' ' 158' ' ' SER . 19.2 m -72.2 30.11 0.05 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.464 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 129' ' ' LYS . 21.7 t70 -84.61 -28.42 26.53 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.595 0.712 . . . . 0.0 109.373 176.267 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.911 HD22 HG21 ' A' ' 96' ' ' THR . 6.1 mp -82.04 80.74 8.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.573 178.117 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -82.29 -42.88 18.24 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.513 177.015 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -82.06 -22.14 36.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.141 -178.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -105.89 8.53 32.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.735 -174.708 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.0 ttm105 -52.71 114.51 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.068 0.461 . . . . 0.0 110.945 -178.129 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.612 ' HB2' ' HA ' ' A' ' 96' ' ' THR . 30.3 mm-40 -87.71 -33.13 18.84 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.785 -176.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.9 p -118.58 120.97 31.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.044 0.45 . . . . 0.0 110.695 176.908 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 123.26 13.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.064 2.509 . . . . 0.0 111.925 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.634 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -70.29 -18.28 21.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.937 -176.524 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -62.81 -50.82 69.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.274 178.826 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.77 -24.47 62.6 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.184 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.48 85.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.237 173.693 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.706 ' HG2' ' CD2' ' A' ' 154' ' ' TYR . 23.1 mtp180 -64.21 -39.57 94.24 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.179 0.514 . . . . 0.0 110.074 175.138 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.0 t -63.61 -33.0 74.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.609 179.537 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -65.81 -37.25 85.76 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 177.883 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.501 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -62.3 -37.43 85.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.026 0.441 . . . . 0.0 110.095 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -67.42 -40.2 85.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.601 178.407 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -60.54 -40.57 92.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.919 179.453 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -88.66 -4.33 58.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.13 -176.431 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 70.22 40.8 70.59 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.625 179.17 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.421 ' HB ' ' O ' ' A' ' 123' ' ' LEU . 29.2 m -125.62 -173.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.549 0.214 . . . . 0.0 111.22 -178.38 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.747 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER -99.86 155.15 17.82 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.485 177.029 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.706 ' CD2' ' HG2' ' A' ' 144' ' ' ARG . 58.0 t80 -132.28 124.67 29.33 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.113 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.6 t -125.44 124.64 67.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 -179.276 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -85.19 115.1 22.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.061 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 80.6 p -121.62 162.02 21.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.035 -174.317 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 130' ' ' SER . 30.0 p -152.93 130.13 11.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 174.362 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.75 -0.55 43.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.437 0.636 . . . . 0.0 110.166 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.489 ' HD3' HN21 ' A' ' 500' ' ' GNP . 27.9 tptp -79.51 -44.59 20.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.51 -179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 40.1 p -99.99 -9.17 23.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 -178.336 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 45.56 9.99 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.452 -177.256 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -115.99 136.11 53.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 179.749 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 70.44 7.97 6.42 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.879 176.846 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' ' 168' ' ' VAL . 82.4 t -70.52 -52.36 29.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.655 0.264 . . . . 0.0 110.622 -178.583 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -72.29 -23.69 61.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 0.0 110.364 179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -57.83 -47.11 83.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.522 -176.596 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -65.03 -31.48 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.901 -174.841 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -70.95 -50.86 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.637 -179.556 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.453 ' CD1' HD21 ' A' ' 57' ' ' LEU . 47.4 m-85 -68.11 -38.91 82.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.276 -177.421 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -60.53 -51.91 67.44 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.011 0.434 . . . . 0.0 110.692 -178.628 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 176' ' ' ILE . 37.8 tp -61.64 -42.94 99.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.552 -179.003 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 67.8 mtm -61.24 -30.82 70.68 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.648 -178.515 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' HD2' ' HA ' ' A' ' 174' ' ' ARG . 9.5 mmm180 -68.0 -39.9 83.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.748 -0.205 . . . . 0.0 110.907 179.412 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.733 ' HB3' ' HE2' ' A' ' 179' ' ' LYS . 21.3 mt-10 -72.7 -37.29 67.88 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.795 175.127 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 172' ' ' LEU . 76.4 mt -54.63 -48.12 71.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.606 0.241 . . . . 0.0 111.082 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 181' ' ' MET . 13.9 ptp180 -67.86 -29.12 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.767 -178.377 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 28.2 m -77.19 -31.32 55.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -178.22 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.913 ' HB3' ' HB2' ' A' ' 120' ' ' LYS . 70.7 mmtt -66.11 -36.51 83.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.068 0.461 . . . . 0.0 110.255 178.934 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 176' ' ' ILE . 24.5 mtpp -74.11 -21.65 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.775 -177.742 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 61.6 mtt -69.57 -36.02 75.9 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 7.4 t 63.71 -162.45 0.28 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.821 -179.588 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -85.03 108.91 17.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.136 0.493 . . . . 0.0 110.313 179.913 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -103.87 20.87 17.33 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.454 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt . . . . . 0 C--O 1.247 0.97 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.476 -179.032 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 24.9 p -87.84 18.54 4.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.686 0.279 . . . . 0.0 111.438 -178.467 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.29 123.93 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.41 178.833 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.552 ' O ' HG12 ' B' ' 398' ' ' ILE . 46.9 m 74.35 -43.0 0.52 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.682 0.614 . . . . 0.0 111.545 -178.736 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -59.94 -30.17 68.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -57.87 -54.91 41.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.881 178.66 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.19 -34.81 90.98 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.963 178.845 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 394' ' ' THR . 46.4 mm -60.45 -52.2 64.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.338 . . . . 0.0 110.168 176.374 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 63.0 mttm -59.11 -43.98 91.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.606 -178.084 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.21 -38.55 90.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.164 -178.157 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.648 ' OE2' ' HD2' ' B' ' 404' ' ' ARG . 8.5 tp10 -70.04 -40.76 74.94 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.686 HG12 ' HB3' ' B' ' 439' ' ' LEU . 96.5 mt -53.62 -53.58 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 175.592 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' B' ' 399' ' ' LYS . 79.2 mtp180 -61.79 -35.36 77.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.939 -177.17 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.648 ' HD2' ' OE2' ' B' ' 401' ' ' GLU . 38.0 ttm180 -61.2 -52.56 64.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.37 176.637 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 77.1 mm-40 -68.77 -27.8 66.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.14 -176.93 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 50.9 mt-10 -60.38 -37.41 80.7 Favored 'General case' 0 C--O 1.223 -0.304 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.019 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -65.99 -49.44 67.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 178.27 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.549 ' O ' HD23 ' B' ' 412' ' ' LEU . 6.9 mp -56.09 -52.2 65.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.999 176.028 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.514 HD23 HG13 ' B' ' 432' ' ' VAL . 2.4 tm? -56.21 -47.1 79.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.12 177.574 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -57.58 -45.8 84.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.167 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 22.8 t -59.73 -55.27 36.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.379 -178.294 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.562 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 4.0 mm? -52.17 -43.08 63.93 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.92 0.391 . . . . 0.0 111.033 177.863 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -62.83 -44.14 96.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.374 -179.85 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -76.48 -41.03 48.59 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -177.28 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.3 -49.28 78.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.384 -179.126 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 38.6 mt -70.4 -27.52 64.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.443 -175.624 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.23 -23.99 62.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.243 178.285 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -76.72 3.35 56.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.156 -178.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 93.82 28.76 10.64 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.908 178.494 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 78.4 mt -123.5 133.58 68.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.843 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -155.52 144.77 20.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.651 0.739 . . . . 0.0 111.798 178.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.578 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 24.8 t70 -150.86 166.88 29.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.909 -1.042 . . . . 0.0 108.761 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -71.26 -23.94 62.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.416 0.627 . . . . 0.0 110.603 -179.43 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 6.1 m -67.86 -31.48 71.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.615 175.898 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 60.8 mmtt -72.72 -49.74 29.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.61 -176.567 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.5 ' OE1' ' HD2' ' A' ' 84' ' ' ARG . 8.9 pt-20 -59.34 -45.65 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.997 -177.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 7.2 mm-40 -63.23 -47.01 84.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.004 178.433 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.553 ' HD3' ' OE1' ' B' ' 431' ' ' GLU . 18.5 mmt180 -61.09 -37.23 81.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.61 0.243 . . . . 0.0 110.898 178.242 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.407 HD11 HD12 ' B' ' 416' ' ' LEU . 9.1 mt -56.37 -49.93 73.02 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.004 177.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.555 ' O ' ' HD3' ' B' ' 434' ' ' ARG . 93.7 m95 -70.66 -34.35 71.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.867 -177.489 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.553 ' OE1' ' HD3' ' B' ' 428' ' ' ARG . 54.4 mt-10 -61.61 -56.4 20.3 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.271 -0.572 . . . . 0.0 110.803 -179.569 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.9 p -64.96 -33.26 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.408 -179.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -54.88 -52.23 63.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.394 177.271 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' B' ' 430' ' ' TRP . 3.2 mpt_? -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.245 -178.196 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' B' ' 432' ' ' VAL . 65.8 mt -65.77 -47.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.826 0.345 . . . . 0.0 110.199 176.783 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.423 HD11 HG23 ' B' ' 402' ' ' ILE . 34.8 tp -59.85 -42.91 94.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.686 -179.068 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 51' ' ' TYR . 10.0 t -72.2 -34.46 68.4 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.289 -178.308 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -64.33 -39.49 94.0 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.031 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.686 ' HB3' HG12 ' B' ' 402' ' ' ILE . 1.2 mp -59.3 -44.14 92.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 175.824 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -58.45 -41.35 84.92 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.244 0.545 . . . . 0.0 110.194 177.102 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' B' ' 441' ' ' ARG . 2.4 tmt_? -67.39 -43.68 80.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.572 179.166 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.5 mmmm -57.98 -35.97 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.018 176.786 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.1 -45.01 96.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.548 178.028 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -82.33 -2.93 54.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.38 179.2 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -91.61 -20.14 21.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.398 0.618 . . . . 0.0 109.518 175.454 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.438 179.357 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.498 ' N3B' ' OE1' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . 0.653 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -179.64 -50.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 121.564 0.697 . . . . 0.0 109.539 -177.579 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -150.03 -135.86 0.07 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 -179.872 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.7 m -87.92 83.49 7.08 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.17 0.509 . . . . 0.0 110.31 173.014 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -117.72 6.43 12.38 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.414 178.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -93.86 17.52 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.508 -177.976 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 36.1 tp -130.24 127.42 39.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.487 174.96 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -132.25 144.57 50.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -175.435 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 30.8 mmtp -118.54 132.05 56.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.847 0.356 . . . . 0.0 110.063 179.161 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' HB ' HD13 ' A' ' 66' ' ' ILE . 83.3 t -127.85 117.98 47.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.685 177.76 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.415 HD12 ' CE1' ' A' ' 89' ' ' PHE . 62.2 mt -91.98 116.74 33.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.552 175.797 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.445 ' HE3' HG21 ' A' ' 92' ' ' VAL . 8.3 tpt -84.57 103.84 14.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.91 -176.54 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.95 143.21 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -175.011 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.83 -176.67 38.62 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.213 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -110.51 8.19 22.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.513 0.673 . . . . 0.0 109.991 -176.738 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.13 -80.85 0.36 Allowed Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.686 -178.286 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.7 46.32 1.29 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.701 -0.761 . . . . 0.0 113.401 -175.713 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 27' ' ' LYS . 34.5 m -86.86 9.78 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.338 0.589 . . . . 0.0 110.083 175.6 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.562 ' HA2' H5'1 ' A' ' 500' ' ' GNP . . . 55.62 40.7 79.76 Favored Glycine 0 CA--C 1.522 0.502 0 CA-C-N 115.075 -0.966 . . . . 0.0 113.369 -177.775 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.48 ' HB3' HG23 ' A' ' 25' ' ' VAL . 18.6 pttp -82.78 -16.58 47.3 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -172.99 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.6 m -77.26 -19.55 56.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.104 177.234 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 33' ' ' GLN . . . -70.39 -50.15 41.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 110.757 -177.938 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.28 -39.82 95.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.16 -176.667 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 69.5 p -69.91 -36.95 75.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -177.932 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' ' HB ' ' A' ' 40' ' ' VAL . 1.3 tm? -60.29 -49.51 77.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.754 177.567 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.639 ' HG2' ' HA ' ' A' ' 39' ' ' PHE . 45.2 mt-30 -66.25 -35.23 79.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.259 -176.706 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 87.6 t80 -69.13 -37.91 78.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.335 -178.764 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.6 mtm -91.83 -47.93 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -174.759 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' CD1' HD22 ' A' ' 32' ' ' LEU . 96.4 m-85 -91.93 -1.5 57.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.791 -0.186 . . . . 0.0 111.38 -175.42 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 69.97 2.35 3.86 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.715 0.634 . . . . 0.0 112.394 171.306 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 33' ' ' GLN . 45.2 mt-10 -131.97 165.91 22.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 -179.021 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.639 ' HA ' ' HG2' ' A' ' 33' ' ' GLN . 69.8 t80 -75.74 141.03 42.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.895 0.379 . . . . 0.0 110.597 -179.793 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.592 ' HB ' ' HG ' ' A' ' 32' ' ' LEU . 6.7 p -70.02 123.54 24.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.446 0.641 . . . . 0.0 111.331 -179.566 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -106.62 -47.06 3.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.597 178.532 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -148.82 100.43 3.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.279 176.055 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -163.5 107.96 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.46 179.667 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.918 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 2.1 mm-40 -116.53 -42.23 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -179.422 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.918 ' HD2' ' H ' ' A' ' 44' ' ' GLU . 5.7 Cg_endo -48.31 102.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.735 2.29 . . . . 0.0 113.354 179.832 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.588 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -158.52 70.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.826 177.256 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -88.29 -60.16 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.614 0.721 . . . . 0.0 109.169 170.405 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HD21 ' B' ' 409' ' ' LEU . . . -127.52 15.33 7.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.89 -1.05 . . . . 0.0 108.641 170.365 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.588 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 4.6 m-20 -79.44 80.01 5.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.129 -173.435 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 m -90.68 167.31 12.61 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.978 177.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -136.06 149.27 48.69 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.473 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -95.22 111.96 23.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.861 0.363 . . . . 0.0 110.598 -175.114 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' HE2' ' O ' ' A' ' 34' ' ' PHE . 55.6 tptt -101.6 135.01 43.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -111.46 125.02 53.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.887 0.375 . . . . 0.0 110.289 174.215 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.59 144.9 34.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.655 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.402 ' HB ' ' HG2' ' A' ' 61' ' ' GLU . 7.4 p -100.36 125.36 54.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-O 121.129 0.49 . . . . 0.0 109.959 178.056 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.1 tp -108.97 109.44 20.5 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.697 178.572 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 72.83 -46.48 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.256 0.972 . . . . 0.0 112.589 177.797 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -160.84 -49.34 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 119.995 -1.097 . . . . 0.0 113.933 -174.275 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -95.34 141.13 29.27 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 117.79 0.795 . . . . 0.0 111.191 -177.138 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 50.9 mt-10 -75.4 131.28 40.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.353 179.541 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -121.75 145.47 28.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.715 -177.371 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.32 149.37 34.06 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.054 0.454 . . . . 0.0 110.036 179.909 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 173' ' ' MET . 12.2 tt -144.85 131.61 15.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 -176.37 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' OD2' ' HE2' ' A' ' 16' ' ' LYS . 43.1 m-20 -101.62 125.82 48.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.428 176.372 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.453 HD13 ' HB ' ' A' ' 17' ' ' VAL . 43.3 mm -107.64 112.9 42.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.629 -178.013 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.9 tp -96.77 104.29 16.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.484 -178.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.95 99.94 12.48 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.843 176.932 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.5 p -86.06 167.24 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.673 -173.236 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.58 129.4 37.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.068 175.455 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.81 39.76 2.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.215 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.7 OUTLIER -116.75 168.08 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.505 0.193 . . . . 0.0 110.95 -178.19 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.516 ' HA ' HH21 ' A' ' 79' ' ' ARG . 21.3 mm-40 -70.14 -35.69 74.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.979 -172.462 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.8 m-20 -56.11 -75.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.314 0.578 . . . . 0.0 111.794 -178.609 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.406 ' HB3' HD12 ' A' ' 78' ' ' ILE . 98.0 m-85 -81.27 57.44 3.21 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.16 -175.159 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.88 -24.22 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.343 0.592 . . . . 0.0 110.225 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.531 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -67.16 -10.11 46.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.428 177.765 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.632 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 57.0 mt -94.18 -34.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.89 178.837 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.545 ' HG3' ' H ' ' A' ' 80' ' ' ASP . 14.7 ptt180 -92.15 -64.23 1.14 Allowed 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 119.967 -0.693 . . . . 0.0 111.384 177.514 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' H ' ' HG3' ' A' ' 79' ' ' ARG . 3.8 m-20 -62.08 -51.43 67.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 111.411 -175.001 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.531 HD22 ' HA ' ' A' ' 77' ' ' ALA . 80.4 m-20 -76.41 -15.3 59.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.335 -0.848 . . . . 0.0 112.554 -172.001 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 1.4 m-85 -91.87 -12.52 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.068 -0.395 . . . . 0.0 111.792 178.888 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.83 -34.41 77.87 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.826 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -47.23 85.16 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -168.803 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.733 ' HB2' ' CD1' ' B' ' 430' ' ' TRP . 16.7 m -91.25 18.82 6.53 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -171.875 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.69 143.38 15.82 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.486 175.512 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.639 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 0.9 OUTLIER -98.91 -38.77 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.616 0.708 . . . . 0.0 111.368 -179.345 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.91 125.57 8.39 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.33 -0.938 . . . . 0.0 113.013 -174.968 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CE2' ' HE3' ' A' ' 115' ' ' LYS . 97.9 m-85 -121.16 115.73 23.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.947 0.403 . . . . 0.0 111.789 -179.028 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.8 mt -93.89 111.42 23.12 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.706 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.526 HD11 ' CD2' ' A' ' 107' ' ' PHE . 31.6 tp -92.73 106.34 18.33 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.844 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' A' ' 126' ' ' VAL . 48.3 t -119.36 131.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.807 0.337 . . . . 0.0 111.462 -171.888 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.473 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 35.8 p90 -144.13 158.83 43.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.474 173.419 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.662 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 1.5 m -83.54 139.34 32.94 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.855 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.484 ' O ' HG12 ' A' ' 138' ' ' VAL . 0.2 OUTLIER -70.83 8.9 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.468 -178.408 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.669 ' HA ' ' HB3' ' A' ' 137' ' ' GLN . 3.4 p -106.56 -0.93 23.48 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.235 0.541 . . . . 0.0 110.344 173.018 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 94' ' ' SER . 33.8 mt-10 -108.35 101.55 10.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.191 179.557 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -79.58 -28.45 41.11 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.722 178.561 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -64.38 -48.04 76.98 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 175.772 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -61.41 -30.48 70.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.39 178.303 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 142' ' ' GLU . 43.5 t80 -66.92 -48.55 68.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.798 175.388 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -62.43 -35.2 78.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.125 0.488 . . . . 0.0 110.825 178.998 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.99 -14.64 62.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.617 -175.811 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.491 ' HA ' ' HD2' ' A' ' 107' ' ' PHE . 51.9 p -53.45 -38.57 63.69 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.563 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.95 87.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.97 179.735 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.04 -41.85 73.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.377 -178.19 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.526 ' CD2' HD11 ' A' ' 91' ' ' LEU . 35.6 m-85 -57.38 -47.22 82.23 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.628 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -56.85 -54.02 51.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.213 -178.356 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.28 -39.95 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -176.615 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' A' ' 113' ' ' ARG . 7.4 tp-100 -65.53 -31.71 72.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.722 -177.716 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 107' ' ' PHE . 89.3 mt -65.59 -39.27 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.696 178.26 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.87 -26.13 61.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.699 0.285 . . . . 0.0 110.958 179.726 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' ' 110' ' ' GLN . 69.1 ttt180 -65.15 -36.78 85.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.209 -178.742 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.56 HG23 ' HG3' ' A' ' 115' ' ' LYS . 33.8 m -90.51 -4.89 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.96 0.409 . . . . 0.0 111.33 -178.667 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.56 ' HG3' HG23 ' A' ' 114' ' ' VAL . 56.9 mttm -124.59 -106.65 0.34 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.392 -175.991 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.88 -46.7 0.51 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.237 1.015 . . . . 0.0 113.405 178.409 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -86.42 1.86 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.116 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.08 -163.46 1.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.483 178.525 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.79 -90.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -174.049 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.66 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 33.4 mmtp -143.81 148.24 35.28 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -175.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 33.5 mt -111.92 95.48 29.26 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -177.178 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.639 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 4.2 Cg_exo -78.16 129.82 9.86 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 123.422 2.748 . . . . 0.0 112.205 179.218 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.455 HD23 ' HB2' ' A' ' 89' ' ' PHE . 35.6 mt -119.99 156.53 30.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.482 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.544 ' CD1' ' HG2' ' A' ' 153' ' ' GLN . 15.0 tp -150.49 122.29 8.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.001 171.085 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 6.3 t -96.77 122.2 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.014 0.435 . . . . 0.0 110.083 -178.21 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 92' ' ' VAL . 46.2 t -108.16 127.51 64.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.706 -176.635 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -91.38 90.65 1.56 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 175.711 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -88.96 168.94 11.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.702 -0.293 . . . . 0.0 110.451 -174.649 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.662 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 29.3 mmtp 72.47 15.12 5.17 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 178.715 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.442 ' CB ' ' HB3' ' A' ' 156' ' ' GLU . 23.2 t -61.77 -9.41 6.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.417 0.627 . . . . 0.0 110.655 -179.518 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.482 ' HB2' ' HB2' ' A' ' 158' ' ' SER . 34.2 t70 -63.12 -14.59 50.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.68 177.685 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 42.6 mt -75.05 -43.54 52.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.205 176.412 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 63.28 -77.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.747 0.819 . . . . 0.0 112.636 177.239 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.59 4.52 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.006 0.432 . . . . 0.0 110.978 -172.186 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.588 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 75.6 mtt180 -110.08 7.5 23.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.831 179.307 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -56.36 118.71 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.287 -177.23 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.669 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 51.8 tp60 -92.0 -29.73 16.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -177.222 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' ILE . 5.8 p -109.25 113.75 58.41 Favored Pre-proline 0 C--N 1.327 -0.4 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.39 179.509 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.568 ' HD2' ' OE2' ' A' ' 142' ' ' GLU . 74.6 Cg_exo -52.11 125.52 17.61 Favored 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.637 2.225 . . . . 0.0 111.243 174.372 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.686 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.6 t -54.15 -28.89 18.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.861 -178.018 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.29 -41.48 75.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.513 -178.565 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.568 ' OE2' ' HD2' ' A' ' 139' ' ' PRO . 42.8 mt-10 -57.88 -46.12 85.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.75 0.786 . . . . 0.0 110.207 178.06 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.38 60.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.436 -1.257 . . . . 0.0 112.106 -177.047 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.686 ' HG3' HG12 ' A' ' 140' ' ' VAL . 20.1 mtp180 -63.39 -41.62 98.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.137 0.494 . . . . 0.0 110.462 178.576 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -58.57 -34.45 71.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.338 176.916 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 142' ' ' GLU . 48.0 mmtm -69.84 -43.77 71.27 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.472 179.29 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -57.04 -40.62 77.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.615 -178.698 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -67.07 -42.79 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.749 -179.53 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -67.33 -34.11 76.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.747 -178.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -87.65 -16.78 33.45 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.043 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 79.27 38.07 22.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.266 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 22.0 m -128.64 177.26 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.09 0.472 . . . . 0.0 111.264 -178.595 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.544 ' HG2' ' CD1' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -96.14 147.59 23.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.708 176.257 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.521 ' HE2' HG13 ' A' ' 140' ' ' VAL . 66.2 t80 -132.67 113.57 13.15 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.073 0.463 . . . . 0.0 109.761 171.221 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.448 HG11 ' HD3' ' A' ' 167' ' ' LYS . 2.5 p -137.38 147.59 26.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.399 178.364 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 130' ' ' SER . 43.0 mt-10 -84.81 138.07 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.145 0.498 . . . . 0.0 111.13 -175.205 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 91.5 m -122.39 140.23 52.93 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.483 -178.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 131' ' ' ASP . 59.3 p -126.28 132.8 51.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.714 175.574 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -89.5 -41.17 12.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.901 0.382 . . . . 0.0 111.605 -174.238 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -67.94 -35.59 78.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.973 -174.561 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.84 -4.97 42.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.554 176.639 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.442 ' HG2' HE22 ' A' ' 33' ' ' GLN . 51.9 mtm180 52.04 80.64 0.09 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.379 0.671 . . . . 0.0 111.922 -177.274 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -141.57 122.89 14.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 178.094 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 70.6 22.18 5.14 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.805 0.69 . . . . 0.0 112.246 175.629 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 34.2 t -78.39 -21.11 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 173.601 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -65.95 -62.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.396 -1.275 . . . . 0.0 112.311 -177.662 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HD3' HG11 ' A' ' 155' ' ' VAL . 3.4 ptpp? -58.07 -52.76 64.19 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.282 -0.872 . . . . 0.0 113.234 -171.892 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.432 HG11 HG13 ' A' ' 126' ' ' VAL . 27.3 m -48.29 -38.16 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -174.119 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -75.94 -55.44 5.61 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.301 -0.56 . . . . 0.0 111.09 177.251 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.419 ' HA ' ' SD ' ' A' ' 173' ' ' MET . 49.2 m-85 -61.91 -36.66 81.99 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -172.717 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.15 -46.88 88.73 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.642 0.258 . . . . 0.0 110.897 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 176' ' ' ILE . 46.3 tp -66.5 -37.27 84.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.325 0.583 . . . . 0.0 109.848 178.164 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.49 ' HG2' HD12 ' A' ' 64' ' ' ILE . 65.5 mtp -60.91 -31.31 70.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.342 178.864 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -70.81 -47.9 56.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.044 178.66 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.48 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -53.51 -36.29 61.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.402 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.671 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 80.3 mt -56.04 -37.9 50.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 178.514 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 181' ' ' MET . 93.1 mtt180 -71.07 -52.17 20.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.949 0.404 . . . . 0.0 110.037 -178.249 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 22.7 m -57.36 -38.57 74.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.217 -177.006 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.66 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.2 mptt -65.21 -45.92 82.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 178.291 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.671 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 30.8 mmtp -67.64 -28.74 67.97 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.647 0.261 . . . . 0.0 111.317 -178.693 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 64.7 mtt -70.76 -34.41 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.113 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.6 m 61.44 -167.95 0.19 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.872 175.589 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.479 ' OE1' ' HG2' ' A' ' 185' ' ' LYS . 7.3 tp10 -117.71 96.16 5.26 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.179 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -128.12 3.61 5.84 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -175.264 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.479 ' HG2' ' OE1' ' A' ' 183' ' ' GLU . 25.0 pttm . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.93 -0.557 . . . . 0.0 111.194 -178.385 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.352 -0.299 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 18.5 p -56.19 -30.16 61.88 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.03 0.532 . . . . 0.0 112.388 -177.05 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.698 ' H ' ' CD ' ' B' ' 393' ' ' GLU . 2.5 mp0 -52.31 -55.92 18.25 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.24 0.616 . . . . 0.0 110.864 -179.143 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m -70.92 -36.15 72.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.772 -177.686 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.442 ' O ' ' HG3' ' B' ' 399' ' ' LYS . 48.4 mt-30 -63.23 -34.93 78.72 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.108 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.73 76.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.565 177.287 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -60.67 -39.76 97.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.775 177.547 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.464 HD12 ' HB3' ' B' ' 442' ' ' LYS . 27.1 mm -58.99 -47.78 88.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.817 0.341 . . . . 0.0 110.26 174.869 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 402' ' ' ILE . 99.5 mttt -63.94 -31.64 72.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.356 -179.002 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -65.54 -33.91 77.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 175.684 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.593 ' HB2' HD11 ' B' ' 439' ' ' LEU . 45.2 mt-10 -75.36 -37.57 60.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.232 175.05 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.579 HG12 ' HB3' ' B' ' 439' ' ' LEU . 90.2 mt -56.11 -53.71 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.496 174.761 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -28.45 69.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.953 0.406 . . . . 0.0 110.83 -178.886 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' B' ' 404' ' ' ARG . 20.9 ttt180 -62.37 -45.31 93.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 175.777 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 55.2 mm-40 -73.29 -31.67 64.18 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.356 -179.213 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.93 -41.14 91.14 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.222 176.816 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -64.26 -47.42 79.65 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.831 177.741 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.435 ' O ' HD23 ' B' ' 412' ' ' LEU . 78.3 mt -61.62 -49.41 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.459 -179.179 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 48' ' ' ALA . 14.4 tp -62.15 -40.03 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.849 179.036 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -55.21 -49.31 72.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.114 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 23.3 t -61.81 -55.16 32.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 -178.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.606 ' HB3' ' HG ' ' B' ' 429' ' ' LEU . 3.6 mm? -57.0 -30.44 64.17 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 179.097 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.447 ' NE2' ' HG ' ' B' ' 409' ' ' LEU . 8.6 m-70 -70.63 -48.62 54.11 Favored 'General case' 0 C--O 1.224 -0.279 0 O-C-N 122.163 -0.336 . . . . 0.0 110.905 175.578 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . 0.434 ' HA ' HE21 ' B' ' 417' ' ' GLN . 97.9 mtt180 -70.24 -52.48 22.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.893 0.377 . . . . 0.0 111.706 -174.87 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -60.57 -33.06 72.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.978 -173.586 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' B' ' 425' ' ' LYS . 11.2 mp -81.95 -27.01 33.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.023 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' B' ' 414' ' ' ARG . 41.0 mt-30 -65.17 -23.78 67.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.739 0.304 . . . . 0.0 110.644 178.604 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.22 -21.57 78.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.517 -179.339 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 126.11 -14.47 7.0 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.418 -179.631 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 56.9 mt -79.51 116.04 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.283 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.572 ' NZ ' ' HB2' ' B' ' 421' ' ' LYS . 0.0 OUTLIER -146.37 136.06 23.2 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.594 0.712 . . . . 0.0 111.067 -179.929 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 17.7 t70 -144.42 167.98 21.19 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 -177.628 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' B' ' 427' ' ' GLU . 3.7 mm? -61.24 -39.53 90.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.815 0.34 . . . . 0.0 110.416 -178.971 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' B' ' 428' ' ' ARG . 17.2 p -59.39 -37.83 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.782 179.81 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.613 ' HB3' HD11 ' B' ' 416' ' ' LEU . 44.3 mmtt -67.61 -46.16 73.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.245 0.545 . . . . 0.0 109.78 -176.273 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -67.8 -37.88 82.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.779 -176.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 431' ' ' GLU . 48.7 mt-10 -67.79 -45.92 73.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.213 175.687 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.699 ' O ' HG23 ' B' ' 432' ' ' VAL . 28.4 mmt180 -60.45 -45.33 94.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.775 179.277 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.606 ' HG ' ' HB3' ' B' ' 412' ' ' LEU . 5.5 mt -56.32 -42.03 76.96 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.162 0.289 . . . . 0.0 111.53 -179.162 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.733 ' CD1' ' HB2' ' A' ' 85' ' ' SER . 8.0 m95 -68.83 -32.67 72.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.404 177.84 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.942 ' HA ' ' HD3' ' B' ' 434' ' ' ARG . 49.5 mt-10 -68.63 -53.02 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.749 179.19 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 428' ' ' ARG . 3.5 t -56.77 -34.54 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.358 0 CA-C-O 121.534 0.683 . . . . 0.0 109.379 179.779 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.499 ' HB3' ' O ' ' B' ' 430' ' ' TRP . 0.0 OUTLIER -55.16 -57.39 11.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.396 -1.274 . . . . 0.0 109.577 176.131 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.942 ' HD3' ' HA ' ' B' ' 431' ' ' GLU . 18.7 mtp180 -55.44 -46.55 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.74 -179.246 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' B' ' 432' ' ' VAL . 9.5 mt -67.12 -38.76 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.012 -176.935 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -58.74 -47.13 85.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . . . . . . . . . 9.9 t -77.85 -34.59 51.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.729 -176.698 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.42 -36.73 84.71 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.502 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.593 HD11 ' HB2' ' B' ' 401' ' ' GLU . 0.2 OUTLIER -63.38 -40.34 96.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.822 177.52 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' B' ' 444' ' ' ARG . 94.4 mttt -61.31 -38.34 86.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.888 0.375 . . . . 0.0 110.219 176.787 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . 0.517 ' HD3' ' C ' ' B' ' 441' ' ' ARG . 1.0 OUTLIER -68.79 -42.66 77.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.775 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 32.7 mmmt -57.48 -33.05 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.911 176.891 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 56.6 tp -68.54 -36.36 78.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.598 176.435 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' B' ' 440' ' ' LYS . 68.3 mtp180 -82.46 -9.29 59.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -91.42 -16.14 27.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.237 179.628 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.629 -179.555 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.562 H5'1 ' HA2' ' A' ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . 0.599 ' O ' ' HA ' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.997 -0.441 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -89.57 -38.06 14.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.617 0.246 . . . . 0.0 111.241 -179.217 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 m -159.24 176.28 12.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.954 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -71.21 143.98 50.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.008 0.432 . . . . 0.0 111.377 177.863 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.7 mt -104.32 -49.46 3.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.623 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 56.21 14.38 1.51 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.858 -1.064 . . . . 0.0 113.871 176.946 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 tp -149.21 128.59 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 111.082 -179.063 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -137.41 149.96 47.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.243 178.939 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HB2' ' OE1' ' A' ' 87' ' ' GLU . 37.8 mmtt -123.54 127.51 48.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.335 177.307 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.614 HG12 HD23 ' A' ' 172' ' ' LEU . 16.3 m -128.44 108.15 17.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.557 0.694 . . . . 0.0 109.784 174.279 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -90.12 122.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.723 -176.62 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 92.3 mmm -86.36 111.02 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.856 179.097 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG21 HD23 ' A' ' 91' ' ' LEU . 26.6 m -94.87 168.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.498 -177.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 152.5 -173.97 31.47 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.361 -0.923 . . . . 0.0 112.172 179.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 m -105.29 12.63 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.386 0.612 . . . . 0.0 109.915 -177.177 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.32 -61.83 0.31 Allowed Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.853 -179.95 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.06 44.02 1.6 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.07 -175.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 93' ' ' PHE . 48.5 t -89.79 -21.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.298 0.57 . . . . 0.0 110.121 176.538 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 112.74 63.41 0.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.871 -177.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -121.48 -37.05 2.96 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -173.514 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.4 m -67.24 -26.64 66.68 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -72.75 -49.0 33.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.31 -33.13 74.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.916 -172.701 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.8 p -64.51 -45.09 88.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.988 0.423 . . . . 0.0 110.727 -179.63 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD12 ' HB ' ' A' ' 40' ' ' VAL . 95.9 mt -64.54 -29.44 70.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.808 HE22 ' HA ' ' A' ' 39' ' ' PHE . 22.1 mm-40 -66.83 -49.88 64.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.456 -178.761 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.514 ' HD1' ' HA ' ' A' ' 166' ' ' ASP . 89.6 t80 -69.11 -37.9 78.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.967 -179.222 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.3 mtm -74.61 -44.26 51.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.736 -0.386 . . . . 0.0 111.852 -175.802 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -110.23 -91.04 0.46 Allowed 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.466 -176.474 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 171.59 -31.91 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 O-C-N 123.367 0.417 . . . . 0.0 110.472 -174.322 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -95.39 150.96 19.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -172.979 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.808 ' HA ' HE22 ' A' ' 33' ' ' GLN . 42.2 t80 -81.19 150.32 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.891 -178.012 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.0 p -64.71 118.45 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 111.297 -178.031 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -98.82 -49.51 4.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.441 178.12 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -151.39 108.72 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.514 178.239 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -158.26 106.11 1.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.0 110.855 -178.507 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.626 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 43.2 mt-10 -91.91 -53.99 0.27 Allowed Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.744 178.407 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 50.0 Cg_exo -53.47 106.09 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.752 2.301 . . . . 0.0 113.544 -175.182 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 0.8 OUTLIER -153.42 35.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.045 -0.979 . . . . 0.0 109.229 172.014 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -85.79 -55.88 3.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.186 -178.135 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' B' ' 409' ' ' LEU . . . -123.07 27.35 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.368 177.753 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 12.2 m-20 -96.08 100.23 11.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.565 -172.694 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -106.84 148.65 28.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 171.596 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.471 ' HE1' ' HB3' ' A' ' 49' ' ' ASP . 68.6 m-85 -136.88 145.42 44.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.274 0.559 . . . . 0.0 111.765 -175.871 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -102.07 115.85 31.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.158 -175.068 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' HB3' HG23 ' A' ' 64' ' ' ILE . 46.0 tptt -105.75 132.64 51.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.344 177.814 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -89.08 129.47 35.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.285 176.584 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.9 m -137.15 151.88 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.005 175.531 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 60' ' ' GLU . 12.0 p -148.16 128.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.044 0.45 . . . . 0.0 110.455 176.934 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.0 mt -115.37 95.96 5.42 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 175.445 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 45.1 29.81 0.54 Allowed 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.252 0.97 . . . . 0.0 113.097 -179.71 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.53 -113.48 0.36 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 119.343 -1.408 . . . . 0.0 114.621 -175.388 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 62' ' ' VAL . 7.4 pt-20 -90.9 146.03 24.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -171.188 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.75 108.39 5.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.37 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.7 t -106.68 144.38 15.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.223 -171.644 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -112.1 118.13 34.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.23 0.538 . . . . 0.0 109.812 176.265 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.501 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.5 tt -104.5 117.76 50.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.396 176.457 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 21.9 t0 -94.52 124.71 38.71 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.907 -175.772 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.6 mm -107.3 112.37 39.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.926 -173.803 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.3 tp -101.53 113.32 26.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.031 178.704 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -91.54 85.72 5.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.404 0.621 . . . . 0.0 110.088 178.311 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.525 ' CG2' ' HA ' ' A' ' 79' ' ' ARG . 25.7 m -62.94 142.74 58.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.588 -176.388 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 131.07 34.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.042 174.144 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.21 64.88 1.94 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.63 -176.548 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 HD13 ' H ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -143.71 153.2 42.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.784 0.326 . . . . 0.0 111.124 -179.629 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -75.65 -12.71 60.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.501 ' HB2' HD13 ' A' ' 72' ' ' LEU . 3.3 m-20 -56.67 -71.6 0.09 Allowed 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.469 0.652 . . . . 0.0 110.446 176.038 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.629 ' H ' HD13 ' A' ' 72' ' ' LEU . 95.2 m-85 -89.65 64.8 6.69 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.703 -178.228 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.64 64.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.042 177.611 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.725 ' HA ' ' HB2' ' A' ' 81' ' ' ASN . . . -73.14 -6.56 46.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.768 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.901 ' HA ' ' HD2' ' A' ' 82' ' ' TYR . 70.3 mt -109.13 -31.56 2.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.925 0.393 . . . . 0.0 110.403 178.193 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.525 ' HA ' ' CG2' ' A' ' 69' ' ' THR . 56.6 ttp180 -92.86 -65.44 1.0 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.064 0.459 . . . . 0.0 111.269 179.864 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.85 -53.71 9.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.564 0.697 . . . . 0.0 110.924 -173.012 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.725 ' HB2' ' HA ' ' A' ' 77' ' ' ALA . 89.3 m-20 -76.75 -16.97 59.33 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.683 -170.759 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.901 ' HD2' ' HA ' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -84.59 -14.07 49.84 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -174.282 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB2' HG21 ' A' ' 114' ' ' VAL . 18.1 m-30 -75.07 22.65 0.11 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HD3' ' A' ' 115' ' ' LYS . 23.9 mmt180 -75.47 -82.06 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 179.484 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 m -80.19 44.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.417 . . . . 0.0 112.055 -173.603 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.61 119.25 2.83 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 176.768 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.603 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 2.1 pm0 -90.3 -41.46 11.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.711 0.255 . . . . 0.0 110.781 -179.03 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 87' ' ' GLU . . . -93.9 131.69 10.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.151 -175.031 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -131.18 132.64 44.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.89 0.376 . . . . 0.0 111.409 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.22 109.64 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.131 176.807 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.509 HD23 HG21 ' A' ' 20' ' ' VAL . 73.9 mt -84.96 106.67 16.64 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.71 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.718 HG12 ' HB ' ' A' ' 126' ' ' VAL . 30.5 m -110.04 133.41 55.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.968 0.413 . . . . 0.0 111.24 -176.811 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' HA ' HG11 ' A' ' 25' ' ' VAL . 28.0 p90 -143.31 158.42 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.968 176.102 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 p -97.15 129.88 44.47 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.168 177.696 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.653 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -76.42 20.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -174.161 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 135' ' ' ARG . 33.5 p -116.5 -31.76 5.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 174.433 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -91.3 109.67 20.95 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.704 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -56.78 -44.81 82.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.627 -175.349 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.66 -14.67 61.64 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -173.091 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.9 m -72.57 -32.23 65.85 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 172.898 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -75.13 -39.33 60.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.992 174.511 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.2 m -63.82 -32.08 73.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 176.907 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.66 -14.32 61.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -175.99 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.5 p -55.14 -41.59 71.97 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 111.545 -178.096 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.26 80.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.843 178.829 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.47 -44.61 67.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.05 179.052 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.8 m-85 -58.19 -44.72 88.22 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.111 0.481 . . . . 0.0 109.931 175.962 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -55.52 -53.41 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.068 -178.472 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -64.28 -36.18 83.26 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.26 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -26.94 65.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.398 178.349 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 107' ' ' PHE . 92.2 mt -79.05 -46.0 23.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.458 178.033 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.24 -44.77 28.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -174.846 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -57.89 -33.87 69.2 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -173.695 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.624 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.2 m -85.07 -1.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.617 -177.402 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 118' ' ' GLU . 36.7 mtmm -141.24 -85.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.916 -178.676 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 67.32 -62.33 0.32 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.724 0.809 . . . . 0.0 112.858 177.452 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -84.04 31.29 0.5 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 122.66 0.384 . . . . 0.0 111.672 -172.995 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.579 ' HG3' ' HD2' ' A' ' 115' ' ' LYS . 13.4 mm-40 -87.64 -166.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.751 178.199 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -68.63 -82.53 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 174.726 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.975 ' HB2' ' HG3' ' A' ' 179' ' ' LYS . 31.9 mmmt -149.17 128.28 12.77 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -178.499 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 122' ' ' PRO . 54.3 mt -101.92 110.5 62.38 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-O 120.696 0.284 . . . . 0.0 110.841 -178.105 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.603 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 10.1 Cg_endo -88.02 126.29 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.303 2.669 . . . . 0.0 112.141 177.436 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -116.8 141.44 48.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.595 179.599 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 153' ' ' GLN . 6.6 tp -133.42 121.55 22.43 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.971 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 124' ' ' LEU . 16.3 t -89.54 123.54 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.8 179.874 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.718 ' HB ' HG12 ' A' ' 92' ' ' VAL . 60.8 t -119.08 123.85 72.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.348 -177.312 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -94.18 126.78 8.81 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.298 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.543 ' OD1' ' HG2' ' A' ' 129' ' ' LYS . 4.8 p30 -113.48 165.95 11.98 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.2 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.543 ' HG2' ' OD1' ' A' ' 128' ' ' ASN . 35.7 mmtm 73.39 13.94 4.51 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.886 0.741 . . . . 0.0 110.297 -174.595 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 m -68.98 -4.6 17.43 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.231 0.539 . . . . 0.0 110.519 179.034 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.64 -22.73 67.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.187 175.334 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.528 ' CD1' HG21 ' A' ' 96' ' ' THR . 84.8 mt -69.41 -61.45 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.655 -179.344 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 65.46 -69.92 0.1 Allowed 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.765 0.665 . . . . 0.0 111.409 -178.099 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.902 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 8.0 pt-20 -59.96 -29.99 68.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.228 0.537 . . . . 0.0 110.979 -178.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.902 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 79.4 mtt180 -102.15 12.93 36.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.316 -173.661 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm105 -61.28 112.95 2.35 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.668 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.433 ' H ' ' HA ' ' A' ' 96' ' ' THR . 78.8 mt-30 -92.19 -26.04 18.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.361 -174.099 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.3 p -107.9 116.6 56.94 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.103 174.083 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.94 113.48 1.28 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.782 2.321 . . . . 0.0 111.385 178.2 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.7 p -75.22 -4.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.135 -171.229 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.86 -50.78 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.347 179.182 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -73.84 -27.35 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.774 178.5 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.8 88.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 0.0 110.428 177.873 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -68.15 -36.76 80.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.35 175.282 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.2 t -62.49 -33.48 74.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.074 178.386 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 59.9 mmtt -63.67 -30.79 71.85 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.55 178.767 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' A' ' 154' ' ' TYR . . . -62.1 -45.78 91.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.043 0.449 . . . . 0.0 110.213 176.151 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.34 -34.78 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.402 179.07 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -37.24 80.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.974 179.761 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.7 m0 -97.21 -5.92 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 -176.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.48 34.38 40.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.428 179.386 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.2 m -123.66 -172.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.71 0.29 . . . . 0.0 110.784 -178.871 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.865 ' HG2' HD13 ' A' ' 124' ' ' LEU . 2.5 pm0 -114.08 151.99 31.73 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.528 174.834 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 57.9 t80 -123.03 122.03 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.078 176.939 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.19 133.4 68.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.269 -179.583 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -92.98 129.72 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 0.0 110.404 176.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.8 p -112.76 134.93 54.03 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.866 -178.7 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.7 m -107.8 124.74 50.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.428 ' HB3' ' C2 ' ' A' ' 500' ' ' GNP . . . -100.27 -8.77 23.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.835 0.35 . . . . 0.0 111.174 -176.308 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -76.57 -47.61 21.95 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.019 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 14.2 t -99.83 -5.53 28.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.524 178.326 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 60.74 80.61 0.21 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.072 -179.229 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -137.37 136.96 38.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.142 -177.647 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 69.13 4.55 4.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 124.095 0.872 . . . . 0.0 111.809 177.559 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.557 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.0 t -69.34 -46.14 77.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.128 -175.9 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.514 ' HA ' ' HD1' ' A' ' 34' ' ' PHE . 4.0 m-20 -70.12 -42.41 72.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 -177.716 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -59.31 -44.84 92.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.269 -170.566 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 33.4 m -57.39 -33.41 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.041 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -70.18 -43.84 69.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.722 0.296 . . . . 0.0 110.336 177.592 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -66.89 -41.49 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.859 178.749 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.29 -51.38 69.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.935 179.248 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.614 HD23 HG12 ' A' ' 17' ' ' VAL . 39.3 tp -66.52 -35.72 80.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 -178.108 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 64' ' ' ILE . 60.3 mtm -63.51 -33.35 75.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.164 178.452 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.549 ' O ' ' HG2' ' A' ' 177' ' ' ARG . 21.2 mmt180 -64.77 -37.25 86.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.675 0.274 . . . . 0.0 110.662 177.639 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.475 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 15.1 mt-10 -69.79 -40.9 75.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.721 0.296 . . . . 0.0 110.515 176.197 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.494 HG23 ' HG3' ' A' ' 87' ' ' GLU . 76.1 mt -55.75 -38.85 52.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.463 -178.586 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 174' ' ' ARG . 16.4 ptt180 -68.73 -45.68 70.87 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.903 -177.537 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.455 ' N ' ' HG3' ' A' ' 177' ' ' ARG . 26.3 m -64.29 -39.04 93.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.464 -179.674 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.975 ' HG3' ' HB2' ' A' ' 120' ' ' LYS . 14.5 mptt -58.24 -57.34 13.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.659 178.317 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -76.41 -33.79 58.82 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -174.874 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 60.3 mtt -69.02 -25.2 64.37 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.774 0.321 . . . . 0.0 110.298 177.316 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 29.3 m 63.94 27.97 14.43 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.71 178.629 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -90.39 136.97 32.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.291 -177.601 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.4 t30 67.64 86.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.994 0.809 . . . . 0.0 110.961 -178.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.942 176.523 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 30.9 m -115.34 36.96 3.7 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 176.152 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . 0.406 ' HG2' ' H ' ' B' ' 393' ' ' GLU . 3.8 mm-40 -49.16 -62.71 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.949 -174.52 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.538 ' O ' HG12 ' B' ' 398' ' ' ILE . 16.9 m -77.98 -33.13 51.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.788 -177.325 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -62.18 -27.78 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.998 -178.384 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' B' ' 400' ' ' GLU . . . -55.49 -53.7 53.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.267 174.824 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.33 -34.7 90.62 Favored Glycine 0 N--CA 1.452 -0.253 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 178.604 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 394' ' ' THR . 13.7 mm -58.89 -54.2 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.041 176.707 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.29 -37.61 78.14 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.909 -177.876 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.623 ' HG2' ' O ' ' B' ' 396' ' ' ALA . 41.1 mm-40 -58.19 -47.74 82.49 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.217 178.973 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.654 ' HB3' HD21 ' B' ' 439' ' ' LEU . 48.0 mm-40 -71.67 -36.84 70.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.579 179.89 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.578 ' HA ' HD23 ' B' ' 439' ' ' LEU . 77.8 mt -53.94 -54.04 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.944 179.703 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 403' ' ' ARG . 11.2 ptp85 -69.78 -28.55 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.87 0.367 . . . . 0.0 110.398 -178.412 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 74.3 ttt180 -59.02 -52.14 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.852 175.167 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.467 ' HB2' HD23 ' B' ' 436' ' ' LEU . 72.6 mm-40 -73.73 -27.59 61.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.441 -179.496 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 39.4 mt-10 -59.09 -50.01 75.68 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 174.259 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -61.34 -44.57 96.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.726 178.71 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.585 ' O ' HD23 ' B' ' 412' ' ' LEU . 69.3 mt -61.85 -51.48 68.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.691 -179.058 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.509 HD13 HG13 ' B' ' 432' ' ' VAL . 36.2 tp -64.56 -35.41 80.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.732 0.301 . . . . 0.0 110.751 178.836 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -65.12 -41.67 94.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.868 0.366 . . . . 0.0 110.549 178.655 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -59.77 -50.04 75.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.679 -179.891 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.585 HD23 ' O ' ' B' ' 408' ' ' LEU . 3.8 mm? -58.73 -37.83 77.03 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.859 0.361 . . . . 0.0 111.057 175.268 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.836 ' HE1' ' HE2' ' A' ' 82' ' ' TYR . 9.9 m-70 -62.6 -45.11 94.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.232 177.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -77.39 -33.9 55.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.521 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -56.81 -51.86 67.32 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.043 0.449 . . . . 0.0 111.06 -179.686 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' B' ' 420' ' ' ILE . 53.0 mt -71.84 -26.79 62.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.228 -177.159 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -63.47 -17.4 62.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.384 179.39 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -86.19 17.15 39.39 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.674 179.659 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.87 20.22 76.47 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.096 -0.573 . . . . 0.0 112.305 178.382 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.653 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 40.0 mt -120.15 142.15 37.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.846 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' B' ' 416' ' ' LEU . 60.1 pttt -149.13 150.63 33.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.345 0.593 . . . . 0.0 111.288 174.32 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.621 ' HB3' ' HG2' ' B' ' 425' ' ' LYS . 13.5 t70 -146.7 160.19 42.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.434 179.798 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.17 -36.14 83.28 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.358 . . . . 0.0 110.993 -176.004 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 34.8 t -64.52 -31.9 73.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.117 -178.964 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.621 ' HG2' ' HB3' ' B' ' 422' ' ' ASP . 49.8 mmtt -64.21 -52.02 60.87 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.654 0.74 . . . . 0.0 109.698 -179.715 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.92 -46.0 92.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.128 -1.397 . . . . 0.0 110.985 -175.523 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.24 -48.34 80.38 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.385 177.071 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.599 ' O ' HG12 ' B' ' 432' ' ' VAL . 16.3 mmt180 -60.75 -37.04 80.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.61 178.897 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' B' ' 429' ' ' LEU . 11.2 mt -55.7 -56.2 23.28 Favored 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 123.122 0.264 . . . . 0.0 111.443 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.478 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 78.2 m95 -66.0 -30.39 70.92 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.039 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.578 ' HA ' ' CD ' ' B' ' 434' ' ' ARG . 34.4 tt0 -71.67 -56.75 5.23 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.935 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.6 ' HA ' HD12 ' B' ' 435' ' ' ILE . 7.6 p -63.58 -32.79 58.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.122 0.487 . . . . 0.0 110.215 -179.275 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -55.74 -50.95 69.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.623 175.61 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.578 ' CD ' ' HA ' ' B' ' 431' ' ' GLU . 0.8 OUTLIER -67.58 -26.63 66.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.833 0.349 . . . . 0.0 110.714 -176.887 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' B' ' 432' ' ' VAL . 38.0 mt -75.63 -46.14 37.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.459 176.519 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.52 HD11 ' HE3' ' B' ' 440' ' ' LYS . 3.1 tm? -57.11 -42.63 81.17 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.156 177.363 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.429 HG22 ' HA ' ' B' ' 434' ' ' ARG . 8.6 t -72.63 -34.85 67.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.311 -178.073 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' B' ' 442' ' ' LYS . . . -63.41 -38.08 89.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.313 0.578 . . . . 0.0 109.762 176.884 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.654 HD21 ' HB3' ' B' ' 401' ' ' GLU . 2.2 mp -63.22 -44.05 96.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.472 177.607 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . 0.52 ' HE3' HD11 ' B' ' 436' ' ' LEU . 83.4 mttt -63.43 -34.31 77.47 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.896 0.379 . . . . 0.0 110.511 178.286 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.06 -47.06 78.65 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 177.083 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 438' ' ' ALA . 14.4 mmmm -63.27 -31.44 72.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.223 179.894 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.11 -49.83 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.006 178.897 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . 0.851 ' HA ' ' HE ' ' B' ' 444' ' ' ARG . 2.8 mmp_? -84.02 -1.89 55.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.937 0.398 . . . . 0.0 112.047 178.539 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -80.28 -22.76 41.31 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.777 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.403 178.486 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.428 ' C2 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.971 -0.451 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.429 ' CD ' ' H ' ' A' ' 9' ' ' GLN . 5.1 pm0 -78.65 -29.84 45.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.702 0.287 . . . . 0.0 111.432 -177.541 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -96.98 -158.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.16 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 m -76.79 39.54 0.22 Allowed 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 111.599 -177.66 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 180' ' ' LYS . 1.3 pt? -119.72 9.76 11.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.089 0.471 . . . . 0.0 109.791 176.484 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 1.59 36.58 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.075 0.941 . . . . 0.0 109.905 175.464 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' ' 16' ' ' LYS . 2.4 pt? -144.28 148.03 34.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.265 -1.334 . . . . 0.0 108.336 175.108 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 176' ' ' ILE . 57.3 m-70 -136.37 136.32 39.53 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 -172.074 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE3' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -114.56 115.81 27.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.821 0.343 . . . . 0.0 110.847 176.994 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.22 112.48 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.151 177.917 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 89' ' ' PHE . 56.7 mt -90.87 123.91 43.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.727 -176.174 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.5 mmt -77.28 107.65 9.84 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 91' ' ' LEU . 51.4 t -95.0 133.16 36.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.982 0.42 . . . . 0.0 111.266 -172.714 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.04 160.35 27.35 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.714 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.8 p -64.85 -40.68 95.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.968 0.413 . . . . 0.0 110.297 178.527 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' HA2' ' CA ' ' A' ' 71' ' ' GLY . . . -132.23 -70.04 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.654 175.386 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.53 69.57 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.253 179.971 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 94' ' ' SER . 44.8 t -44.47 -55.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.167 0.587 . . . . 0.0 112.174 -178.918 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' HA3' ' OD1' ' A' ' 128' ' ' ASN . . . -152.2 16.97 0.79 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.201 177.831 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HE2' ' OD2' ' A' ' 68' ' ' ASP . 19.8 ptmt -63.26 -43.96 96.51 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.964 -0.139 . . . . 0.0 111.259 -176.904 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 m -65.95 -30.85 71.49 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 111.342 -177.762 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' HB2' " O3'" ' A' ' 500' ' ' GNP . . . -71.99 -47.06 54.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.104 0.478 . . . . 0.0 110.854 178.49 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.14 -39.34 89.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.469 -177.071 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.5 p -67.26 -32.08 72.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.983 0.421 . . . . 0.0 110.668 179.582 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.38 -41.93 88.66 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.033 175.987 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.562 ' HB2' HG11 ' A' ' 165' ' ' VAL . 88.0 mt-30 -76.03 -15.43 60.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.654 -177.887 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -72.38 -27.19 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 110.529 175.632 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 66.6 mtm -107.41 -51.39 2.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.185 -178.058 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -93.91 -28.5 15.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.234 -175.326 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 44.7 t0 62.63 31.14 16.94 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.041 0.924 . . . . 0.0 109.725 -176.576 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 40.9 mt-10 -117.92 156.98 27.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.554 178.517 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -85.16 150.51 24.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.853 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -69.67 107.34 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.533 0.682 . . . . 0.0 112.168 -174.275 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -79.74 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.591 172.381 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.99 121.28 13.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.786 177.345 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -163.64 93.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.246 -179.913 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 10.9 tp10 -93.41 -39.37 0.33 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.816 178.85 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 44' ' ' GLU . 66.2 Cg_exo -40.22 136.95 1.5 Allowed 'Trans proline' 0 C--N 1.368 1.586 0 C-N-CA 122.26 1.973 . . . . 0.0 111.711 171.4 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.638 HG21 ' O2G' ' A' ' 500' ' ' GNP . 2.9 t 171.24 -10.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.601 -166.734 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' O ' HD13 ' A' ' 78' ' ' ILE . 21.8 mtpp -72.63 -58.95 2.97 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.096 0.474 . . . . 0.0 110.519 -171.529 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' B' ' 409' ' ' LEU . . . -126.41 11.51 7.45 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.741 0.781 . . . . 0.0 109.43 174.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -78.31 125.95 30.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.895 -175.876 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 66' ' ' ILE . 70.1 m -152.67 163.46 39.6 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -177.856 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -133.96 139.0 45.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.036 0.446 . . . . 0.0 111.803 -171.198 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -95.97 107.01 19.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.119 170.848 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -97.82 128.62 44.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.848 0.356 . . . . 0.0 110.107 -178.24 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.683 ' HD2' ' HB3' ' A' ' 61' ' ' GLU . 36.4 ttpt -107.5 126.85 53.03 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.282 0.563 . . . . 0.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.9 m -129.03 143.88 39.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.255 178.33 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 13.9 p -92.08 119.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 121.573 0.701 . . . . 0.0 110.997 -175.266 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB2' HG21 ' A' ' 62' ' ' VAL . 53.8 mt -113.81 106.63 14.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.544 179.612 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 73.89 7.96 4.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.783 172.546 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.46 -32.31 2.49 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.827 -1.178 . . . . 0.0 113.38 175.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.38 140.65 37.61 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.723 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.683 ' HB3' ' HD2' ' A' ' 54' ' ' LYS . 65.8 mt-10 -76.76 116.56 17.54 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.476 0.655 . . . . 0.0 109.777 178.053 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.435 HG21 ' HB2' ' A' ' 57' ' ' LEU . 3.1 t -107.24 154.15 8.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.337 -171.679 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 39.2 mt-30 -112.38 135.52 52.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.048 0.451 . . . . 0.0 111.985 -170.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -125.21 127.74 72.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.36 0.6 . . . . 0.0 109.499 171.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 23.2 t0 -101.87 120.56 40.58 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.212 -173.513 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 50' ' ' SER . 36.3 mm -109.12 113.64 44.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.889 -174.867 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 ' OG ' ' A' ' 50' ' ' SER . 44.3 tp -101.08 127.34 47.65 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 179.919 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.427 ' OD2' ' HE2' ' A' ' 27' ' ' LYS . 8.4 t70 -98.98 -177.54 3.66 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.641 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.5 p -148.57 141.16 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 118.102 0.41 . . . . 0.0 112.076 -171.444 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.12 126.0 30.24 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 170.323 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.439 ' CA ' ' HA2' ' A' ' 23' ' ' GLY . . . -79.18 62.02 4.07 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.155 -174.971 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 74' ' ' ASP . 0.6 OUTLIER -160.61 156.68 26.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.784 0.326 . . . . 0.0 111.136 -179.679 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -83.97 -12.06 55.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.615 179.506 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.474 ' HB2' HD13 ' A' ' 72' ' ' LEU . 6.6 m-20 -53.94 -52.39 60.77 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.449 0.642 . . . . 0.0 110.447 178.326 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.448 ' H ' HD13 ' A' ' 72' ' ' LEU . 97.9 m-85 -104.07 65.37 0.8 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.616 176.576 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.77 -25.42 60.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.206 179.74 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.994 ' HA ' ' HB3' ' A' ' 81' ' ' ASN . . . -67.17 -5.85 15.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.15 179.26 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 ' O ' ' A' ' 47' ' ' LYS . 51.4 mt -96.92 -43.03 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.981 179.171 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -93.84 -66.78 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.565 0.697 . . . . 0.0 110.917 177.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -75.44 -55.99 5.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.582 -168.086 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.994 ' HB3' ' HA ' ' A' ' 77' ' ' ALA . 8.5 t-20 -71.41 -16.14 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.665 -173.115 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' B' ' 429' ' ' LEU . 0.0 OUTLIER -82.0 -20.16 38.99 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.838 -178.633 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.622 ' HB2' HG21 ' A' ' 114' ' ' VAL . 21.5 m-85 -70.09 81.43 0.5 Allowed 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 120.988 0.423 . . . . 0.0 110.366 -179.806 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' HE ' ' CD ' ' B' ' 426' ' ' GLU . 19.8 mmm180 -145.04 -79.45 0.18 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.174 179.628 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 m -72.38 -5.0 33.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.866 0.365 . . . . 0.0 111.867 -176.673 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.46 136.61 15.23 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.436 175.865 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 35.8 tt0 -93.84 -62.49 1.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.719 0.295 . . . . 0.0 110.956 -177.521 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.509 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.8 141.46 18.67 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.533 -175.939 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 18' ' ' ILE . 98.5 m-85 -125.62 127.28 46.07 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.914 0.388 . . . . 0.0 110.977 179.05 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 124' ' ' LEU . 63.3 mt -103.08 109.68 21.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 20' ' ' VAL . 52.8 mt -91.24 107.82 19.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.026 -177.458 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.752 HG12 ' HB ' ' A' ' 126' ' ' VAL . 31.5 m -101.91 141.05 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.097 0.475 . . . . 0.0 111.953 -176.033 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -150.6 175.58 11.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.511 174.778 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.45 ' HB2' HG11 ' A' ' 25' ' ' VAL . 47.2 t -118.01 143.84 46.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.319 -179.92 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -75.64 -0.84 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.968 179.881 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD13 ' A' ' 132' ' ' LEU . 43.1 p -111.17 -7.68 14.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.105 0.479 . . . . 0.0 110.729 174.028 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.26 91.32 3.57 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.937 -178.702 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -69.38 -22.18 63.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.25 -177.265 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -58.6 -52.77 64.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.882 177.798 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' A' ' 103' ' ' ALA . 66.9 m -71.73 -25.77 62.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.839 178.584 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -61.44 -45.14 95.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.821 0.343 . . . . 0.0 110.234 176.308 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 21.8 m -74.56 -32.02 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.231 0.539 . . . . 0.0 110.3 177.111 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 100' ' ' SER . . . -67.07 -15.31 63.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.117 -177.499 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.427 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 45.2 p -58.24 -36.99 74.02 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 178.429 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.67 -41.39 88.23 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.265 177.005 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 110' ' ' GLN . 9.8 tp10 -64.12 -37.44 87.48 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.948 178.823 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.442 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.5 m-85 -62.89 -49.21 75.71 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.966 0.412 . . . . 0.0 110.274 175.522 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -56.48 -50.8 70.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.659 179.131 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.7 -28.76 68.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.821 -178.861 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 1.8 tp-100 -63.86 -41.3 97.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.257 0.551 . . . . 0.0 109.817 178.212 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 107' ' ' PHE . 68.2 mt -61.34 -43.68 97.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.988 179.555 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 9.7 mp -73.23 -21.36 60.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.685 178.948 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -78.92 -26.98 43.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.069 -177.672 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.622 HG21 ' HB2' ' A' ' 83' ' ' PHE . 35.1 m -107.88 -24.06 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -177.678 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 25.0 mtpp -110.03 -88.77 0.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.245 -179.406 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 112' ' ' LEU . . . 66.02 -60.93 0.29 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -80.1 46.03 0.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.027 0.442 . . . . 0.0 111.591 -173.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.499 ' CG ' ' HB3' ' A' ' 115' ' ' LYS . 5.6 mm-40 -102.87 -162.4 0.91 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.856 -176.905 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.07 -69.61 0.71 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.52 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -144.95 129.3 17.82 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.214 177.654 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 111' ' ' ILE . 68.9 mt -105.69 107.3 59.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 87.2 Cg_endo -90.82 127.03 1.23 Allowed 'Trans proline' 0 CA--C 1.533 0.467 0 C-N-CA 123.19 2.593 . . . . 0.0 112.771 176.104 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.7 122.59 42.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.486 -179.231 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' HG2' ' A' ' 153' ' ' GLN . 10.8 tp -114.2 120.55 40.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.071 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.7 t -87.14 122.41 38.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.482 -176.837 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.752 ' HB ' HG12 ' A' ' 92' ' ' VAL . 41.3 t -108.65 109.86 29.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.538 -176.948 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.88 112.36 3.7 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 176.038 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.479 ' OD1' ' HA3' ' A' ' 26' ' ' GLY . 3.7 t-20 -100.98 172.69 6.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.971 0.385 . . . . 0.0 110.335 -176.027 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 71.09 21.04 4.99 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 123.664 0.602 . . . . 0.0 111.367 175.337 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.5 m -62.19 -7.7 4.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.75 -179.314 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.02 -18.44 61.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.879 177.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 HG21 ' A' ' 96' ' ' THR . 72.3 mt -70.33 -73.06 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.69 -174.709 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 67.18 -65.74 0.21 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.458 0.703 . . . . 0.0 111.962 -177.828 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.898 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 7.4 pt-20 -59.31 -30.79 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -174.525 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.898 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 84.5 mtt180 -106.41 14.72 26.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.13 -173.69 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -55.24 121.28 8.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.101 -177.319 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -97.22 -28.34 14.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.672 179.825 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.7 p -121.02 123.85 27.67 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.731 176.773 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.1 119.12 5.99 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.64 2.226 . . . . 0.0 111.234 176.483 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.676 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 1.4 p -74.22 -13.72 15.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.702 -173.936 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.09 -49.73 76.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.742 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.23 -20.9 60.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 110.477 178.115 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.87 -33.55 72.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.122 0.487 . . . . 0.0 110.139 175.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 67.7 mtp180 -68.51 -31.89 71.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.364 0.602 . . . . 0.0 109.391 173.348 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 149' ' ' GLU . 23.0 t -71.91 -36.12 69.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.098 -176.515 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -52.92 -52.07 59.07 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.533 176.481 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' ' HB2' ' A' ' 154' ' ' TYR . . . -60.55 -39.1 86.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.99 177.905 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.03 -37.39 87.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.414 -179.67 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 145' ' ' SER . 43.8 mt-10 -64.66 -35.64 81.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.922 0.391 . . . . 0.0 110.954 177.416 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 39.1 m0 -84.55 -4.76 59.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.059 -177.296 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 74.29 27.92 65.0 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.447 -179.857 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.434 HG23 ' HB1' ' A' ' 147' ' ' ALA . 32.9 m -120.79 179.9 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 110.164 -0.309 . . . . 0.0 110.164 -178.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.626 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -101.58 153.59 19.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.424 -0.91 . . . . 0.0 111.466 172.911 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.509 ' HB2' ' CB ' ' A' ' 147' ' ' ALA . 52.4 t80 -117.57 120.03 36.82 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 168' ' ' VAL . 47.0 t -115.24 125.78 72.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.551 -179.748 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -89.55 126.91 35.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.108 177.456 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 28.5 p -114.15 129.05 56.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.482 0.658 . . . . 0.0 111.303 -175.231 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.0 m -109.14 127.13 53.92 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.494 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.558 ' HB3' HN22 ' A' ' 500' ' ' GNP . . . -106.78 -25.18 11.83 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.456 -172.726 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -81.36 -40.46 23.49 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.072 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.0 p -90.54 -13.1 35.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.494 176.733 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 61.1 87.61 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.395 179.555 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -149.22 128.21 12.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.903 -178.936 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 66.87 18.57 10.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.747 0.655 . . . . 0.0 111.936 175.478 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 33' ' ' GLN . 85.4 t -66.87 -50.08 68.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 -178.123 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -76.24 -18.35 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -178.388 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.26 -48.54 80.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.451 -175.226 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' A' ' 155' ' ' VAL . 30.6 m -62.47 -30.95 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -177.279 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -74.6 -51.05 15.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.147 -177.868 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' ' 174' ' ' ARG . 49.4 m-85 -68.71 -34.4 75.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.146 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.05 -52.3 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.637 0.256 . . . . 0.0 111.194 -177.118 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 32.4 tp -71.06 -26.63 63.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.271 0.558 . . . . 0.0 109.918 -179.512 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.418 ' SD ' HD11 ' A' ' 57' ' ' LEU . 7.9 ttm -63.3 -39.81 95.61 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.134 176.869 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 170' ' ' PHE . 9.1 mmm180 -69.42 -34.35 74.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.388 -176.586 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.4 -30.44 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 0.0 110.967 177.591 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 15' ' ' HIS . 74.3 mt -63.64 -25.3 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 111.132 -179.665 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -59.86 -49.59 77.12 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.542 179.167 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 4.5 m -59.34 -36.46 75.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.272 -175.965 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.447 ' NZ ' ' HG3' ' A' ' 122' ' ' PRO . 0.0 OUTLIER -62.6 -51.65 66.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 -179.721 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 180' ' ' LYS . 12.7 mmtp -74.47 -19.69 60.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.662 -175.42 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 63.6 mtt -83.28 -18.99 37.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.963 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.5 m 66.02 -72.0 0.08 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.718 0.807 . . . . 0.0 112.127 177.584 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 58.46 76.83 0.32 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.338 0.59 . . . . 0.0 111.129 -178.793 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -91.0 -0.83 57.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.845 179.551 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.473 -178.668 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.089 -0.405 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . . . . . . . . . 9.3 p -81.64 68.41 7.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.118 0.485 . . . . 0.0 111.273 -178.816 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -96.15 -74.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.772 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.518 ' O ' HG12 ' B' ' 398' ' ' ILE . 3.6 m -67.11 -42.85 83.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -175.995 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -65.07 -27.58 68.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.792 -178.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -64.32 -49.53 71.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.122 177.45 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . 0.401 ' HA2' ' OE2' ' B' ' 400' ' ' GLU . . . -61.72 -36.73 93.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.699 176.393 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.518 HG12 ' O ' ' B' ' 394' ' ' THR . 43.5 mm -60.83 -47.93 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.805 -0.198 . . . . 0.0 110.557 176.347 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -59.68 -33.97 72.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.178 179.593 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 396' ' ' ALA . 44.1 mt-10 -60.61 -47.35 86.6 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.025 0.441 . . . . 0.0 110.243 176.624 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 405' ' ' GLN . 19.6 mt-10 -73.25 -35.53 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.976 -178.107 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.578 HG12 ' HB3' ' B' ' 439' ' ' LEU . 72.9 mt -56.71 -53.7 38.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.502 174.549 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.49 -29.42 70.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.092 -179.021 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 36.0 ttm180 -60.19 -48.66 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.254 174.946 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 401' ' ' GLU . 69.8 mm-40 -72.85 -37.61 67.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.487 -177.567 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' B' ' 402' ' ' ILE . 82.7 mt-10 -60.84 -37.65 82.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.374 179.026 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -65.85 -47.5 74.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.806 175.959 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 78.7 mt -61.5 -46.5 89.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.495 -179.768 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' B' ' 413' ' ' HIS . 18.7 tp -61.67 -45.83 92.33 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.287 178.635 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -57.38 -44.51 84.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.937 179.003 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 21.9 t -60.14 -55.21 36.67 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.414 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.524 ' O ' HD13 ' B' ' 416' ' ' LEU . 3.3 mm? -53.97 -39.87 66.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.007 0.432 . . . . 0.0 111.136 177.58 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . 0.503 ' CD2' ' HG ' ' B' ' 409' ' ' LEU . 27.1 m-70 -65.14 -48.31 74.02 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.832 178.381 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -68.69 -44.21 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -177.243 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.08 -33.99 72.83 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.955 0.407 . . . . 0.0 111.613 -178.037 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.684 HD11 ' HB2' ' B' ' 425' ' ' LYS . 3.4 mp -66.03 -29.37 69.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -175.8 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.27 -9.51 56.18 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.973 179.411 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -78.85 3.69 63.77 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.115 176.938 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.4 3.82 68.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.111 178.256 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . . . . . . . . . 66.1 mt -84.18 119.44 33.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.885 0.374 . . . . 0.0 110.682 -177.895 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -133.42 134.18 43.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 172.405 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.679 ' O ' ' HG3' ' B' ' 425' ' ' LYS . 18.4 t70 -148.22 162.34 39.67 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 177.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.13 -27.1 69.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.376 0.607 . . . . 0.0 109.618 177.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 11.4 m -73.53 -36.14 65.64 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.035 -178.593 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.684 ' HB2' HD11 ' B' ' 416' ' ' LEU . 0.1 OUTLIER -70.08 -36.39 74.88 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.695 -173.123 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.567 ' N ' ' HD2' ' B' ' 425' ' ' LYS . 3.5 pt-20 -73.76 -44.84 54.95 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.016 179.468 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -64.43 -35.19 80.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.94 177.414 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.645 ' O ' HG23 ' B' ' 432' ' ' VAL . 22.7 mmt180 -64.14 -44.62 91.59 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.498 175.605 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 82' ' ' TYR . 10.9 mt -56.5 -53.87 52.47 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.704 -179.231 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' B' ' 434' ' ' ARG . 86.7 m95 -62.86 -31.4 72.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.044 -179.072 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -68.29 -54.04 20.25 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.392 174.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 428' ' ' ARG . 21.3 t -56.82 -36.05 48.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 109.37 178.345 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -56.75 -55.29 36.05 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.457 -1.247 . . . . 0.0 111.475 179.15 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.693 ' HD3' HG13 ' B' ' 435' ' ' ILE . 0.0 OUTLIER -68.78 -26.31 65.14 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.441 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.693 HG13 ' HD3' ' B' ' 434' ' ' ARG . 22.1 mt -72.33 -44.15 63.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.408 . . . . 0.0 110.058 176.001 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' B' ' 405' ' ' GLN . 3.1 tm? -63.49 -44.22 95.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.562 179.477 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.658 HG22 ' HA ' ' B' ' 434' ' ' ARG . 15.2 t -69.68 -30.86 68.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.011 0.434 . . . . 0.0 110.077 -178.978 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.693 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -66.86 -43.69 82.92 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.716 173.757 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 0.872 HD13 ' HD3' ' B' ' 442' ' ' LYS . 0.1 OUTLIER -62.34 -42.44 99.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.444 -178.996 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -58.9 -39.3 81.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.682 0.753 . . . . 0.0 109.793 175.925 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -65.62 -40.72 92.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.962 178.026 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.872 ' HD3' HD13 ' B' ' 439' ' ' LEU . 24.3 mtpp -61.44 -32.4 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.331 176.678 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.494 ' HA ' HG21 ' B' ' 398' ' ' ILE . 44.8 tp -59.57 -44.93 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.716 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -83.74 -2.89 57.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 176.662 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . 0.663 ' HB3' ' HA ' ' B' ' 442' ' ' LYS . 30.5 tt0 -82.2 -31.77 30.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.68 178.328 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.086 -178.176 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.638 ' O2G' HG21 ' A' ' 46' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -24.77 13.98 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -177.484 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.7 m -155.48 177.45 11.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' LEU . 53.9 m -79.0 93.84 5.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.288 0.566 . . . . 0.0 110.571 177.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.7 mt -107.73 -36.59 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 178.877 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HA ' HG13 ' A' ' 62' ' ' VAL . . . -98.84 8.8 44.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.468 0.651 . . . . 0.0 110.488 178.361 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' HB3' ' A' ' 11' ' ' SER . 60.0 tp -139.24 128.92 24.62 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.977 177.87 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -136.93 152.62 50.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.107 0.48 . . . . 0.0 111.891 -176.822 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD3' ' HB2' ' A' ' 65' ' ' ASP . 23.1 mmtp -122.41 112.52 18.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.396 178.047 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.3 t -121.5 129.79 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.081 0.467 . . . . 0.0 110.731 -176.596 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 HD12 ' CE2' ' A' ' 89' ' ' PHE . 51.0 mt -107.45 127.91 62.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.95 -178.046 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.657 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 19.0 mmt -78.58 111.66 14.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.414 173.616 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG23 HD23 ' A' ' 91' ' ' LEU . 16.9 m -115.34 138.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.114 0.483 . . . . 0.0 111.07 -178.493 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.3 158.14 12.78 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.703 -179.163 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -84.14 122.39 28.77 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.843 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.13 -93.33 1.3 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.453 -175.693 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' HA2' ' CD ' ' A' ' 27' ' ' LYS . . . 162.01 65.92 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.52 176.511 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.08 -68.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 111.722 -179.277 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.68 14.11 4.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.33 -0.938 . . . . 0.0 112.395 -179.094 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.863 ' HB3' HG21 ' A' ' 92' ' ' VAL . 11.9 ptmm? -72.41 -11.03 60.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.773 0.32 . . . . 0.0 111.491 -175.422 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HB2' ' O2A' ' A' ' 500' ' ' GNP . 21.6 m -109.9 -30.03 8.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.605 176.796 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.44 -55.08 7.59 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -174.28 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.6 -31.81 72.71 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.057 0.456 . . . . 0.0 111.347 -174.745 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.547 HG21 HG21 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -64.37 -39.76 94.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.01 -174.349 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.857 HD12 ' HB ' ' A' ' 40' ' ' VAL . 73.3 mt -66.35 -23.16 66.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.653 0.263 . . . . 0.0 111.364 -178.594 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -71.27 -44.2 65.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.155 0.502 . . . . 0.0 109.915 175.432 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -72.22 -38.05 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.593 179.772 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 70.4 mtp -70.85 -57.66 4.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.246 -178.878 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.495 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 98.7 m-85 -106.06 -80.29 0.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.75 -176.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 36' ' ' TYR . 19.4 t70 157.59 -27.62 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.297 0.998 . . . . 0.0 108.946 -172.323 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -95.49 153.89 17.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.025 -172.124 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -83.18 150.5 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.242 -175.181 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.857 ' HB ' HD12 ' A' ' 32' ' ' LEU . 6.4 p -67.68 123.02 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.204 -179.006 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -92.97 -42.85 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.609 176.364 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -160.58 137.04 8.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.536 172.341 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.38 94.17 0.97 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.977 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.645 ' HB2' ' HD3' ' A' ' 45' ' ' PRO . 38.5 mt-10 -74.45 -58.78 1.75 Allowed Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 -172.06 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' ' 44' ' ' GLU . 37.3 Cg_exo -58.84 -91.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.456 2.104 . . . . 0.0 114.036 -170.217 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 ' HA ' ' HB2' ' A' ' 49' ' ' ASP . 40.4 p 50.19 32.39 5.99 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.143 0.577 . . . . 0.0 111.441 -174.235 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 70' ' ' ALA . 37.7 mtmt -87.24 -50.77 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.778 177.02 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.07 27.59 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.228 178.923 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 46' ' ' THR . 22.0 m-20 -89.63 111.46 22.42 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.3 0.571 . . . . 0.0 110.963 -177.424 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.471 ' HB3' ' HG3' ' B' ' 433' ' ' GLN . 41.9 t -122.45 140.76 52.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.688 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -135.24 132.7 38.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.789 0.328 . . . . 0.0 110.292 -177.529 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -95.12 127.58 41.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.75 179.533 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HG3' HG13 ' A' ' 55' ' ' VAL . 55.7 tptt -117.18 133.7 55.67 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.759 -177.52 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -101.31 122.76 44.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.542 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG13 ' HG3' ' A' ' 53' ' ' LYS . 20.3 m -132.66 144.7 35.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.107 177.483 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.3 p -116.56 103.18 14.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.539 0.685 . . . . 0.0 109.76 177.043 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.827 HD11 ' HE ' ' A' ' 174' ' ' ARG . 2.5 pt? -96.46 98.37 10.18 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.577 0.703 . . . . 0.0 110.435 -177.968 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 61.19 15.64 6.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.427 -1.26 . . . . 0.0 113.098 174.199 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.37 -85.33 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 118.394 -1.86 . . . . 0.0 115.593 -176.426 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' CD ' HH12 ' A' ' 177' ' ' ARG . 8.3 pt-20 -100.61 148.64 24.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 0.0 111.595 -168.595 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -73.45 105.85 5.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.47 174.57 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 13' ' ' ALA . 8.2 t -106.17 136.17 41.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.593 -175.81 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -113.18 123.79 51.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.168 -176.848 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 173' ' ' MET . 10.2 tt -122.65 120.07 59.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.836 -175.979 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.3 m-20 -88.3 120.56 29.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.386 176.934 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.547 HG21 HG21 ' A' ' 31' ' ' THR . 47.5 mm -107.15 120.83 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.669 0.271 . . . . 0.0 110.517 -179.334 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 57.7 tp -106.26 115.41 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.428 176.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' OD2' ' HB ' ' A' ' 46' ' ' THR . 33.1 t0 -98.95 105.87 18.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.029 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.2 p -85.57 152.91 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.266 -174.959 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 47' ' ' LYS . . . -73.89 118.89 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.04 173.146 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -77.62 62.85 3.47 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.763 -178.224 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' CD1' ' H ' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -138.62 -172.34 3.28 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.239 0.215 . . . . 0.0 110.623 179.997 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -100.07 -22.69 15.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.189 0.519 . . . . 0.0 111.036 -176.861 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.52 -65.67 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.594 -174.181 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' H ' ' CD1' ' A' ' 72' ' ' LEU . 90.6 m-85 -82.54 67.79 8.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.304 -172.787 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.87 -23.83 65.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.19 179.217 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.571 ' HA ' HD22 ' A' ' 81' ' ' ASN . . . -64.56 -29.47 70.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.911 0.386 . . . . 0.0 110.987 178.838 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 9.8 mt -89.43 -25.01 5.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.985 -179.137 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -92.04 -65.69 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.384 -176.072 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.66 -44.94 39.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.901 -173.264 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.571 HD22 ' HA ' ' A' ' 77' ' ' ALA . 93.3 m-20 -75.62 -19.04 59.49 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.248 -170.269 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' OH ' HD11 ' B' ' 409' ' ' LEU . 25.9 m-85 -83.1 -11.34 58.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.491 174.711 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -76.27 77.8 3.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 179.161 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 115' ' ' LYS . 31.3 ttt-85 -162.66 -62.15 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 170.023 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.1 m -67.3 -23.43 65.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.559 178.825 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.53 124.02 17.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.831 177.818 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.512 ' O ' ' HD2' ' A' ' 122' ' ' PRO . 25.0 mt-10 -85.3 -64.24 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.144 0.497 . . . . 0.0 110.333 -176.785 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.74 150.57 18.79 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.672 -175.661 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 115' ' ' LYS . 87.9 m-85 -129.13 128.31 43.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.803 0.335 . . . . 0.0 110.695 -178.961 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.0 mt -99.62 110.66 23.08 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.861 176.764 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.714 HD12 HG22 ' A' ' 125' ' ' VAL . 78.3 mt -81.92 107.42 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.356 179.27 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.863 HG21 ' HB3' ' A' ' 27' ' ' LYS . 27.2 m -98.23 120.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.557 0.694 . . . . 0.0 111.408 -176.308 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.444 ' HB2' ' CB ' ' A' ' 100' ' ' SER . 3.7 p90 -151.3 166.37 31.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.974 176.691 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.79 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 12.6 t -118.68 146.49 44.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.931 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.685 HD13 ' H ' ' A' ' 95' ' ' ILE . 0.2 OUTLIER -73.81 -2.04 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.731 -176.752 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.457 ' CG2' HD22 ' A' ' 132' ' ' LEU . 18.8 p -94.28 -28.27 15.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.878 0.371 . . . . 0.0 110.284 171.26 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.79 ' HG2' ' HB3' ' A' ' 94' ' ' SER . 11.1 mm-40 -90.67 95.56 10.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.858 -177.519 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -67.97 -29.53 68.59 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.571 -176.863 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -64.78 -39.7 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.33 . . . . 0.0 110.344 179.09 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.444 ' CB ' ' HB2' ' A' ' 93' ' ' PHE . 17.0 m -62.91 -37.54 87.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.377 178.33 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -64.41 -42.99 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.809 179.856 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.9 m -69.29 -34.15 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.991 0.424 . . . . 0.0 111.253 -179.946 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.0 -17.94 64.57 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.695 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.534 ' HA ' ' CD2' ' A' ' 107' ' ' PHE . 67.7 p -61.02 -28.89 69.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.366 -177.63 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -38.11 80.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.729 -178.696 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.93 -42.36 94.76 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.703 -179.636 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 104' ' ' THR . 13.0 m-85 -60.48 -50.58 73.02 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.863 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -51.28 -58.41 6.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.447 -178.532 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.84 -30.35 69.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -173.462 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.63 -32.67 68.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.014 0.435 . . . . 0.0 110.242 -179.678 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 107' ' ' PHE . 85.1 mt -65.76 -47.81 84.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.782 177.865 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.82 -19.47 65.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.743 -179.321 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -71.06 -41.93 70.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.737 0.303 . . . . 0.0 110.86 179.812 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.637 HG23 ' HG3' ' A' ' 115' ' ' LYS . 34.5 m -101.23 -19.97 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.554 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 114' ' ' VAL . 24.5 mtpp -119.4 111.25 17.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.683 0.277 . . . . 0.0 111.432 -175.929 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -157.51 20.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.24 0.543 . . . . 0.0 110.476 172.82 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.478 ' CD ' HH21 ' A' ' 84' ' ' ARG . 28.4 mt-10 -105.15 -0.06 26.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.999 -174.475 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 5.3 pt-20 -111.46 -170.82 1.72 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.477 -169.975 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -58.45 -75.37 0.05 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.294 179.565 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.592 ' HB2' ' CG ' ' A' ' 179' ' ' LYS . 65.6 mmtt -157.09 161.49 39.44 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.386 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.9 mt -109.67 102.84 51.5 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 120.7 0.286 . . . . 0.0 110.451 -177.813 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.512 ' HD2' ' O ' ' A' ' 87' ' ' GLU . 6.6 Cg_endo -88.42 116.62 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.757 2.971 . . . . 0.0 112.638 179.6 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.75 152.39 24.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.301 176.955 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 153' ' ' GLN . 7.2 tp -136.08 120.81 18.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 175.712 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.714 HG22 HD12 ' A' ' 91' ' ' LEU . 10.7 t -85.77 115.01 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.531 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.0 t -109.01 116.72 52.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -174.366 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.61 101.41 2.25 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.634 177.295 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.465 ' OD1' ' HB ' ' A' ' 92' ' ' VAL . 13.4 m120 -82.64 143.9 30.67 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 110.307 -0.256 . . . . 0.0 110.307 -178.692 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.436 ' HD2' ' OD1' ' A' ' 131' ' ' ASP . 23.9 tptm 63.34 71.58 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.789 0.681 . . . . 0.0 110.24 177.768 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.7 p -97.18 9.4 42.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.388 0.614 . . . . 0.0 109.783 176.437 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.436 ' OD1' ' HD2' ' A' ' 129' ' ' LYS . 4.0 m-20 -67.16 -20.97 65.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.218 -176.91 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 0.6 OUTLIER -72.11 -47.73 49.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.006 -179.291 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 62.22 -77.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.378 0.671 . . . . 0.0 112.1 -179.132 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.29 -27.65 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.573 -173.647 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HB2' ' HB2' ' A' ' 132' ' ' LEU . 48.5 mtt180 -84.38 17.54 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.428 -177.331 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -64.17 114.38 4.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.101 0.476 . . . . 0.0 110.753 -178.076 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -86.17 -25.84 25.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -176.894 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.84 112.48 32.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 134.61 53.99 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.784 2.322 . . . . 0.0 112.025 -179.571 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.609 HG12 ' HG3' ' A' ' 144' ' ' ARG . 5.4 t -58.77 -26.9 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.823 178.763 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -56.31 -36.15 68.36 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.181 179.535 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -78.79 -40.87 31.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.342 0.591 . . . . 0.0 110.264 178.722 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.203 179.179 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.609 ' HG3' HG12 ' A' ' 140' ' ' VAL . 78.6 mtp180 -65.09 -34.97 79.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.32 178.253 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -59.18 -45.2 91.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.22 176.351 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 65.9 mmtt -66.13 -36.22 82.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.133 179.633 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.35 80.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.251 0.548 . . . . 0.0 110.17 174.566 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -72.72 -49.29 32.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.545 178.384 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.11 -43.59 91.9 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.633 -177.452 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 32.5 m0 -83.06 -25.62 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.949 -176.692 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 87.71 45.09 5.29 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.18 -179.651 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 25.9 m -132.85 -174.91 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.816 0.341 . . . . 0.0 111.207 -177.691 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.788 ' HG2' HD13 ' A' ' 124' ' ' LEU . 0.8 OUTLIER -106.08 156.75 18.11 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.686 175.785 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.409 ' HE2' HG13 ' A' ' 140' ' ' VAL . 78.3 t80 -128.87 123.26 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.164 178.141 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.426 HG13 ' ND2' ' A' ' 164' ' ' ASN . 96.9 t -132.73 125.8 53.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -178.61 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -86.05 144.92 27.31 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.811 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 p -135.65 130.78 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 111.841 -173.223 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 163' ' ' ALA . 4.7 p -118.29 102.3 8.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.148 175.804 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.77 -2.35 17.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.891 -177.113 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -76.98 -42.95 36.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.07 0.462 . . . . 0.0 110.0 178.042 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 16.6 p -110.41 5.24 21.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.408 -179.519 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 64.01 24.57 13.61 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.097 179.459 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.421 ' HB3' ' OG ' ' A' ' 158' ' ' SER . . . -80.91 122.42 27.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.862 0.363 . . . . 0.0 111.878 -174.018 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.426 ' ND2' HG13 ' A' ' 155' ' ' VAL . 1.0 OUTLIER 66.5 11.45 8.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.129 -0.942 . . . . 0.0 112.169 174.394 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.475 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.4 t -75.63 -37.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.861 0.362 . . . . 0.0 110.982 -177.156 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.37 -38.46 84.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.727 -178.342 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -52.51 -46.89 66.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.353 -174.736 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 165' ' ' VAL . 34.3 m -57.77 -32.89 43.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -173.308 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -75.52 -52.57 10.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 179.244 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -69.09 -39.01 79.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.551 -176.057 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.72 -50.05 75.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.203 -177.532 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.487 ' O ' HG13 ' A' ' 176' ' ' ILE . 44.0 tp -67.82 -39.04 83.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.811 -177.491 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 64' ' ' ILE . 41.8 mtm -60.91 -34.36 74.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.592 -179.903 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.827 ' HE ' HD11 ' A' ' 57' ' ' LEU . 7.2 mmt85 -75.97 -38.05 57.89 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.857 178.389 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.617 ' O ' ' HD3' ' A' ' 179' ' ' LYS . 10.8 mm-40 -61.25 -35.57 77.61 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 176.352 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.534 ' O ' ' HG2' ' A' ' 180' ' ' LYS . 83.6 mt -59.11 -40.63 81.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 109.96 173.744 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.416 HH12 ' CD ' ' A' ' 60' ' ' GLU . 29.6 mtp180 -68.6 -37.59 79.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.606 -179.664 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 13.6 m -55.52 -42.76 74.98 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.408 0.623 . . . . 0.0 110.011 174.474 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.617 ' HD3' ' O ' ' A' ' 175' ' ' GLU . 13.3 mptt -70.69 -41.45 71.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.534 179.978 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 176' ' ' ILE . 75.1 mmtt -62.56 -33.19 74.44 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.248 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 177' ' ' ARG . 66.5 mtt -71.9 -37.93 70.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.476 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 12.9 t 61.19 99.32 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 O-C-N 124.052 0.845 . . . . 0.0 111.987 178.066 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 64.19 47.19 3.32 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.634 0.731 . . . . 0.0 110.747 175.666 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -85.06 83.63 7.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.432 0.634 . . . . 0.0 109.431 177.813 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 C--O 1.247 0.972 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.514 179.905 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' B' B ' 392' ' ' SER . . . . . 0.741 ' HB3' ' HB2' ' B' ' 395' ' ' GLN . 70.3 m 53.11 52.01 14.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.853 0.358 . . . . 0.0 110.957 -178.683 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 393' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -38.64 78.73 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.61 -176.328 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 394' ' ' THR . . . . . 0.54 ' O ' HG12 ' B' ' 398' ' ' ILE . 12.6 m -85.94 -40.16 16.17 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.349 -178.602 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 395' ' ' GLN . . . . . 0.741 ' HB2' ' HB3' ' B' ' 392' ' ' SER . 52.2 mt-30 -60.69 -36.17 78.09 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.11 178.063 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 396' ' ' ALA . . . . . 0.467 ' O ' ' HG3' ' B' ' 400' ' ' GLU . . . -52.05 -55.18 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.952 0.406 . . . . 0.0 110.726 177.475 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.28 -37.82 95.03 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.233 178.69 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . 0.54 HG12 ' O ' ' B' ' 394' ' ' THR . 45.5 mm -61.5 -47.69 92.25 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 CA-C-O 120.781 0.324 . . . . 0.0 110.714 177.655 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 399' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' B' ' 403' ' ' ARG . 56.5 mtpt -63.8 -36.88 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.183 -178.132 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 400' ' ' GLU . . . . . 0.614 ' HG2' HH21 ' B' ' 403' ' ' ARG . 32.6 mt-10 -68.03 -36.06 79.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.246 176.832 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 401' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -69.98 -39.59 75.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.96 177.252 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 402' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' B' ' 439' ' ' LEU . 96.6 mt -56.14 -53.15 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.228 174.263 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 403' ' ' ARG . . . . . 0.614 HH21 ' HG2' ' B' ' 400' ' ' GLU . 49.8 mtm180 -55.57 -38.16 69.01 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.032 0.444 . . . . 0.0 110.873 -178.777 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 404' ' ' ARG . . . . . 0.68 ' O ' ' HG ' ' B' ' 408' ' ' LEU . 39.3 ttm180 -62.17 -52.09 65.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.779 -179.756 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 405' ' ' GLN . . . . . 0.651 HE21 HG23 ' B' ' 432' ' ' VAL . 15.5 mm100 -73.0 -27.44 61.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.61 -177.455 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 406' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.52 -54.12 50.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 172.39 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 407' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.69 -41.29 97.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.152 -179.462 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 408' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' B' ' 404' ' ' ARG . 60.7 mt -60.2 -50.86 72.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.765 0.317 . . . . 0.0 110.828 -179.223 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 409' ' ' LEU . . . . . 0.577 HD13 HG13 ' B' ' 432' ' ' VAL . 42.4 tp -70.18 -36.17 74.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.866 0.365 . . . . 0.0 111.016 178.986 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -66.45 -47.65 72.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.154 -179.421 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 411' ' ' SER . . . . . . . . . . . . . 32.3 t -59.77 -40.98 90.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.004 -179.882 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 412' ' ' LEU . . . . . 0.765 ' O ' ' HG ' ' B' ' 416' ' ' LEU . 56.6 mt -58.73 -49.69 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.956 173.739 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 413' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -57.29 -48.47 78.83 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.395 -177.992 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 414' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -69.55 -31.53 69.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -176.697 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 415' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.17 -48.2 62.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.621 178.342 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 416' ' ' LEU . . . . . 0.765 ' HG ' ' O ' ' B' ' 412' ' ' LEU . 23.3 mt -61.61 -42.15 98.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.276 -179.57 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -65.47 -9.76 28.42 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.442 -178.943 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 418' ' ' GLY . . . . . . . . . . . . . . . -80.48 -10.51 85.21 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.511 173.7 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.24 16.15 11.63 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.529 178.898 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 420' ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' B' ' 416' ' ' LEU . 25.2 mt -131.98 117.45 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 O-C-N 122.838 -0.213 . . . . 0.0 111.211 -178.451 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 421' ' ' LYS . . . . . 0.474 ' CB ' HD22 ' B' ' 416' ' ' LEU . 0.0 OUTLIER -135.5 165.14 26.21 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 172.185 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 422' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' B' ' 426' ' ' GLU . 20.5 t70 -147.79 154.35 40.37 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.084 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 423' ' ' LEU . . . . . . . . . . . . . 10.3 mp -59.45 -30.41 68.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.769 0.319 . . . . 0.0 111.493 -177.589 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 424' ' ' SER . . . . . . . . . . . . . 5.9 m -63.73 -35.48 80.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.99 0.424 . . . . 0.0 110.12 177.647 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 425' ' ' LYS . . . . . 0.607 ' O ' ' HG ' ' B' ' 429' ' ' LEU . 20.0 mttt -73.37 -43.94 59.65 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.549 -177.152 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 426' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' B' ' 429' ' ' LEU . 1.1 mm-40 -57.15 -41.64 79.52 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.086 -177.502 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 427' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.92 -41.48 71.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.586 178.785 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 428' ' ' ARG . . . . . 0.546 ' O ' HG12 ' B' ' 432' ' ' VAL . 23.8 mmt180 -59.53 -40.97 88.91 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.012 176.269 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 429' ' ' LEU . . . . . 0.669 HD11 HD11 ' B' ' 416' ' ' LEU . 84.1 mt -55.82 -54.87 39.21 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.723 -177.514 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 430' ' ' TRP . . . . . 0.546 ' O ' ' HD2' ' B' ' 434' ' ' ARG . 57.8 m95 -61.31 -41.57 97.21 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.197 0.311 . . . . 0.0 111.745 -178.017 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 431' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' B' ' 434' ' ' ARG . 7.9 tp10 -70.65 -53.79 14.43 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 121.183 -0.207 . . . . 0.0 111.265 -176.145 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 432' ' ' VAL . . . . . 0.651 HG23 HE21 ' B' ' 405' ' ' GLN . 12.3 p -60.61 -33.73 55.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.077 0.465 . . . . 0.0 110.709 -179.512 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 433' ' ' GLN . . . . . 0.471 ' HG3' ' HB3' ' A' ' 50' ' ' SER . 25.9 tp60 -56.29 -53.31 58.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.303 177.766 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 434' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' B' ' 431' ' ' GLU . 0.0 OUTLIER -71.04 -26.61 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.505 -179.059 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' B' B ' 435' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' B' ' 432' ' ' VAL . 84.1 mt -66.2 -47.96 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.56 175.588 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 436' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' B' ' 439' ' ' LEU . 49.8 tp -58.1 -40.63 81.67 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.782 0.325 . . . . 0.0 111.692 176.359 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 437' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 434' ' ' ARG . 4.1 t -74.24 -31.6 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.906 0.384 . . . . 0.0 110.774 -177.299 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 438' ' ' ALA . . . . . 0.614 ' O ' ' HG3' ' B' ' 442' ' ' LYS . . . -64.91 -37.0 86.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.974 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 439' ' ' LEU . . . . . 1.103 HD23 ' HD3' ' B' ' 442' ' ' LYS . 63.9 mt -62.0 -37.12 83.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.788 176.168 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 440' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -59.25 -38.84 81.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.64 0.733 . . . . 0.0 109.571 175.246 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 441' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -66.68 -44.66 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.264 177.851 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 1.103 ' HD3' HD23 ' B' ' 439' ' ' LEU . 53.6 mtpt -58.24 -40.48 81.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.159 178.468 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 443' ' ' LEU . . . . . 0.451 ' HB2' HD11 ' B' ' 402' ' ' ILE . 62.5 tp -61.21 -42.93 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.012 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' B' B ' 444' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -81.23 -7.48 59.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 -179.057 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 445' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -90.32 -39.21 12.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.95 179.788 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' B' B ' 446' ' ' ALA . . . . . 0.426 ' HB1' ' HB ' ' B' ' 394' ' ' THR . . . . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.294 -176.765 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.437 ' O2A' ' HB2' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_